----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 13:57:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.703841309999998 0.000000000000000 0.000000000000000 b 0.000000000000000 8.450525349999998 0.000000000000000 c 0.000000000000000 0.000000000000000 6.197692939999999 Atomic positions (fractional): *1 Rb 0.07070142516154 0.25000000000000 0.13602830601242 85.468 *2 Rb 0.14425053663775 0.49213092163525 0.69017683647618 85.468 3 Rb 0.92929857483846 0.75000000000000 0.86397169398758 85.468 4 Rb 0.35574946336225 0.50786907836475 0.19017683647618 85.468 5 Rb 0.14425053663775 0.00786907836475 0.69017683647618 85.468 6 Rb 0.35574946336225 0.99213092163525 0.19017683647618 85.468 7 Rb 0.42929857483846 0.75000000000000 0.63602830601242 85.468 8 Rb 0.85574946336225 0.99213092163525 0.30982316352382 85.468 9 Rb 0.85574946336225 0.50786907836475 0.30982316352382 85.468 10 Rb 0.64425053663775 0.00786907836475 0.80982316352382 85.468 11 Rb 0.64425053663775 0.49213092163525 0.80982316352382 85.468 12 Rb 0.57070142516154 0.25000000000000 0.36397169398758 85.468 *13 P 0.38546929695349 0.25000000000000 0.77988653229741 30.974 14 P 0.11453070304651 0.75000000000000 0.27988653229741 30.974 15 P 0.61453070304651 0.75000000000000 0.22011346770259 30.974 16 P 0.88546929695349 0.25000000000000 0.72011346770259 30.974 *17 O 0.60873192479128 0.59818240311285 0.36291908622021 15.999 *18 O 0.22816919653473 0.75000000000000 0.41243676365142 15.999 19 O 0.89126807520872 0.40181759688715 0.86291908622021 15.999 20 O 0.10873192479128 0.90181759688715 0.13708091377979 15.999 21 O 0.89126807520872 0.09818240311285 0.86291908622021 15.999 *22 O 0.98792011845880 0.25000000000000 0.55751139892375 15.999 23 O 0.51207988154120 0.75000000000000 0.05751139892375 15.999 24 O 0.48792011845880 0.25000000000000 0.94248860107625 15.999 25 O 0.39126807520872 0.09818240311285 0.63708091377979 15.999 26 O 0.60873192479128 0.90181759688715 0.36291908622021 15.999 27 O 0.01207988154120 0.75000000000000 0.44248860107625 15.999 28 O 0.39126807520872 0.40181759688715 0.63708091377979 15.999 29 O 0.72816919653473 0.75000000000000 0.08756323634858 15.999 30 O 0.27183080346527 0.25000000000000 0.91243676365142 15.999 31 O 0.77183080346527 0.25000000000000 0.58756323634858 15.999 32 O 0.10873192479128 0.59818240311285 0.13708091377979 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 11.703841309999998 0.000000000000000 0.000000000000000 b 0.000000000000000 8.450525349999998 0.000000000000000 c 0.000000000000000 0.000000000000000 6.197692939999999 Atomic positions (fractional): *1 Rb 0.07070142516154 0.25000000000000 0.13602830601242 85.468 > 1 *2 Rb 0.14425053663775 0.49213092163525 0.69017683647618 85.468 > 2 3 Rb 0.92929857483846 0.75000000000000 0.86397169398758 85.468 > 3 4 Rb 0.35574946336225 0.50786907836475 0.19017683647618 85.468 > 4 5 Rb 0.14425053663775 0.00786907836475 0.69017683647618 85.468 > 5 6 Rb 0.35574946336225 0.99213092163525 0.19017683647618 85.468 > 6 7 Rb 0.42929857483846 0.75000000000000 0.63602830601242 85.468 > 7 8 Rb 0.85574946336225 0.99213092163525 0.30982316352382 85.468 > 8 9 Rb 0.85574946336225 0.50786907836475 0.30982316352382 85.468 > 9 10 Rb 0.64425053663775 0.00786907836475 0.80982316352382 85.468 > 10 11 Rb 0.64425053663775 0.49213092163525 0.80982316352382 85.468 > 11 12 Rb 0.57070142516154 0.25000000000000 0.36397169398758 85.468 > 12 *13 P 0.38546929695349 0.25000000000000 0.77988653229741 30.974 > 13 14 P 0.11453070304651 0.75000000000000 0.27988653229741 30.974 > 14 15 P 0.61453070304651 0.75000000000000 0.22011346770259 30.974 > 15 16 P 0.88546929695349 0.25000000000000 0.72011346770259 30.974 > 16 *17 O 0.60873192479128 0.59818240311285 0.36291908622021 15.999 > 17 *18 O 0.22816919653473 0.75000000000000 0.41243676365142 15.999 > 18 19 O 0.89126807520872 0.40181759688715 0.86291908622021 15.999 > 19 20 O 0.10873192479128 0.90181759688715 0.13708091377979 15.999 > 20 21 O 0.89126807520872 0.09818240311285 0.86291908622021 15.999 > 21 *22 O 0.98792011845880 0.25000000000000 0.55751139892375 15.999 > 22 23 O 0.51207988154120 0.75000000000000 0.05751139892375 15.999 > 23 24 O 0.48792011845880 0.25000000000000 0.94248860107625 15.999 > 24 25 O 0.39126807520872 0.09818240311285 0.63708091377979 15.999 > 25 26 O 0.60873192479128 0.90181759688715 0.36291908622021 15.999 > 26 27 O 0.01207988154120 0.75000000000000 0.44248860107625 15.999 > 27 28 O 0.39126807520872 0.40181759688715 0.63708091377979 15.999 > 28 29 O 0.72816919653473 0.75000000000000 0.08756323634858 15.999 > 29 30 O 0.27183080346527 0.25000000000000 0.91243676365142 15.999 > 30 31 O 0.77183080346527 0.25000000000000 0.58756323634858 15.999 > 31 32 O 0.10873192479128 0.59818240311285 0.13708091377979 15.999 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.703841309999998 0.000000000000000 0.000000000000000 b 0.000000000000000 16.901050699999995 0.000000000000000 c 0.000000000000000 0.000000000000000 12.395385879999997 Atomic positions (fractional): *1 Rb 0.07070142516154 0.12500000000000 0.06801415300621 85.468 > 1 2 Rb 0.07070142516154 0.62500000000000 0.06801415300621 85.468 > 1 3 Rb 0.07070142516154 0.12500000000000 0.56801415300621 85.468 > 1 4 Rb 0.07070142516154 0.62500000000000 0.56801415300621 85.468 > 1 *5 Rb 0.14425053663775 0.24606546081762 0.34508841823809 85.468 > 2 6 Rb 0.14425053663775 0.74606546081762 0.34508841823809 85.468 > 2 7 Rb 0.14425053663775 0.24606546081762 0.84508841823809 85.468 > 2 8 Rb 0.14425053663775 0.74606546081762 0.84508841823809 85.468 > 2 9 Rb 0.92929857483846 0.37500000000000 0.43198584699379 85.468 > 3 10 Rb 0.92929857483846 0.87500000000000 0.43198584699379 85.468 > 3 11 Rb 0.92929857483846 0.37500000000000 0.93198584699379 85.468 > 3 12 Rb 0.92929857483846 0.87500000000000 0.93198584699379 85.468 > 3 13 Rb 0.35574946336225 0.25393453918238 0.09508841823809 85.468 > 4 14 Rb 0.35574946336225 0.75393453918238 0.09508841823809 85.468 > 4 15 Rb 0.35574946336225 0.25393453918238 0.59508841823809 85.468 > 4 16 Rb 0.35574946336225 0.75393453918238 0.59508841823809 85.468 > 4 17 Rb 0.14425053663775 0.00393453918238 0.34508841823809 85.468 > 5 18 Rb 0.14425053663775 0.50393453918238 0.34508841823809 85.468 > 5 19 Rb 0.14425053663775 0.00393453918238 0.84508841823809 85.468 > 5 20 Rb 0.14425053663775 0.50393453918238 0.84508841823809 85.468 > 5 21 Rb 0.35574946336225 0.49606546081762 0.09508841823809 85.468 > 6 22 Rb 0.35574946336225 0.99606546081762 0.09508841823809 85.468 > 6 23 Rb 0.35574946336225 0.49606546081762 0.59508841823809 85.468 > 6 24 Rb 0.35574946336225 0.99606546081762 0.59508841823809 85.468 > 6 25 Rb 0.42929857483846 0.37500000000000 0.31801415300621 85.468 > 7 26 Rb 0.42929857483846 0.87500000000000 0.31801415300621 85.468 > 7 27 Rb 0.42929857483846 0.37500000000000 0.81801415300621 85.468 > 7 28 Rb 0.42929857483846 0.87500000000000 0.81801415300621 85.468 > 7 29 Rb 0.85574946336225 0.49606546081762 0.15491158176191 85.468 > 8 30 Rb 0.85574946336225 0.99606546081762 0.15491158176191 85.468 > 8 31 Rb 0.85574946336225 0.49606546081762 0.65491158176191 85.468 > 8 32 Rb 0.85574946336225 0.99606546081762 0.65491158176191 85.468 > 8 33 Rb 0.85574946336225 0.25393453918238 0.15491158176191 85.468 > 9 34 Rb 0.85574946336225 0.75393453918238 0.15491158176191 85.468 > 9 35 Rb 0.85574946336225 0.25393453918238 0.65491158176191 85.468 > 9 36 Rb 0.85574946336225 0.75393453918238 0.65491158176191 85.468 > 9 37 Rb 0.64425053663775 0.00393453918238 0.40491158176191 85.468 > 10 38 Rb 0.64425053663775 0.50393453918238 0.40491158176191 85.468 > 10 39 Rb 0.64425053663775 0.00393453918238 0.90491158176191 85.468 > 10 40 Rb 0.64425053663775 0.50393453918238 0.90491158176191 85.468 > 10 41 Rb 0.64425053663775 0.24606546081762 0.40491158176191 85.468 > 11 42 Rb 0.64425053663775 0.74606546081762 0.40491158176191 85.468 > 11 43 Rb 0.64425053663775 0.24606546081762 0.90491158176191 85.468 > 11 44 Rb 0.64425053663775 0.74606546081762 0.90491158176191 85.468 > 11 45 Rb 0.57070142516154 0.12500000000000 0.18198584699379 85.468 > 12 46 Rb 0.57070142516154 0.62500000000000 0.18198584699379 85.468 > 12 47 Rb 0.57070142516154 0.12500000000000 0.68198584699379 85.468 > 12 48 Rb 0.57070142516154 0.62500000000000 0.68198584699379 85.468 > 12 *49 P 0.38546929695349 0.12500000000000 0.38994326614870 30.974 > 13 50 P 0.38546929695349 0.62500000000000 0.38994326614870 30.974 > 13 51 P 0.38546929695349 0.12500000000000 0.88994326614870 30.974 > 13 52 P 0.38546929695349 0.62500000000000 0.88994326614870 30.974 > 13 53 P 0.11453070304651 0.37500000000000 0.13994326614870 30.974 > 14 54 P 0.11453070304651 0.87500000000000 0.13994326614870 30.974 > 14 55 P 0.11453070304651 0.37500000000000 0.63994326614870 30.974 > 14 56 P 0.11453070304651 0.87500000000000 0.63994326614870 30.974 > 14 57 P 0.61453070304651 0.37500000000000 0.11005673385130 30.974 > 15 58 P 0.61453070304651 0.87500000000000 0.11005673385130 30.974 > 15 59 P 0.61453070304651 0.37500000000000 0.61005673385130 30.974 > 15 60 P 0.61453070304651 0.87500000000000 0.61005673385130 30.974 > 15 61 P 0.88546929695349 0.12500000000000 0.36005673385130 30.974 > 16 62 P 0.88546929695349 0.62500000000000 0.36005673385130 30.974 > 16 63 P 0.88546929695349 0.12500000000000 0.86005673385130 30.974 > 16 64 P 0.88546929695349 0.62500000000000 0.86005673385130 30.974 > 16 *65 O 0.60873192479128 0.29909120155642 0.18145954311011 15.999 > 17 66 O 0.60873192479128 0.79909120155642 0.18145954311011 15.999 > 17 67 O 0.60873192479128 0.29909120155642 0.68145954311011 15.999 > 17 68 O 0.60873192479128 0.79909120155642 0.68145954311011 15.999 > 17 *69 O 0.22816919653473 0.37500000000000 0.20621838182571 15.999 > 18 70 O 0.22816919653473 0.87500000000000 0.20621838182571 15.999 > 18 71 O 0.22816919653473 0.37500000000000 0.70621838182571 15.999 > 18 72 O 0.22816919653473 0.87500000000000 0.70621838182571 15.999 > 18 73 O 0.89126807520872 0.20090879844358 0.43145954311011 15.999 > 19 74 O 0.89126807520872 0.70090879844358 0.43145954311011 15.999 > 19 75 O 0.89126807520872 0.20090879844358 0.93145954311011 15.999 > 19 76 O 0.89126807520872 0.70090879844358 0.93145954311011 15.999 > 19 77 O 0.10873192479128 0.45090879844358 0.06854045688989 15.999 > 20 78 O 0.10873192479128 0.95090879844358 0.06854045688989 15.999 > 20 79 O 0.10873192479128 0.45090879844358 0.56854045688989 15.999 > 20 80 O 0.10873192479128 0.95090879844358 0.56854045688989 15.999 > 20 81 O 0.89126807520872 0.04909120155642 0.43145954311011 15.999 > 21 82 O 0.89126807520872 0.54909120155642 0.43145954311011 15.999 > 21 83 O 0.89126807520872 0.04909120155642 0.93145954311011 15.999 > 21 84 O 0.89126807520872 0.54909120155642 0.93145954311011 15.999 > 21 *85 O 0.98792011845880 0.12500000000000 0.27875569946188 15.999 > 22 86 O 0.98792011845880 0.62500000000000 0.27875569946188 15.999 > 22 87 O 0.98792011845880 0.12500000000000 0.77875569946188 15.999 > 22 88 O 0.98792011845880 0.62500000000000 0.77875569946188 15.999 > 22 89 O 0.51207988154120 0.37500000000000 0.02875569946188 15.999 > 23 90 O 0.51207988154120 0.87500000000000 0.02875569946188 15.999 > 23 91 O 0.51207988154120 0.37500000000000 0.52875569946188 15.999 > 23 92 O 0.51207988154120 0.87500000000000 0.52875569946188 15.999 > 23 93 O 0.48792011845880 0.12500000000000 0.47124430053812 15.999 > 24 94 O 0.48792011845880 0.62500000000000 0.47124430053812 15.999 > 24 95 O 0.48792011845880 0.12500000000000 0.97124430053812 15.999 > 24 96 O 0.48792011845880 0.62500000000000 0.97124430053812 15.999 > 24 97 O 0.39126807520872 0.04909120155642 0.31854045688989 15.999 > 25 98 O 0.39126807520872 0.54909120155642 0.31854045688989 15.999 > 25 99 O 0.39126807520872 0.04909120155642 0.81854045688989 15.999 > 25 100 O 0.39126807520872 0.54909120155642 0.81854045688989 15.999 > 25 101 O 0.60873192479128 0.45090879844358 0.18145954311011 15.999 > 26 102 O 0.60873192479128 0.95090879844358 0.18145954311011 15.999 > 26 103 O 0.60873192479128 0.45090879844358 0.68145954311011 15.999 > 26 104 O 0.60873192479128 0.95090879844358 0.68145954311011 15.999 > 26 105 O 0.01207988154120 0.37500000000000 0.22124430053812 15.999 > 27 106 O 0.01207988154120 0.87500000000000 0.22124430053812 15.999 > 27 107 O 0.01207988154120 0.37500000000000 0.72124430053812 15.999 > 27 108 O 0.01207988154120 0.87500000000000 0.72124430053812 15.999 > 27 109 O 0.39126807520872 0.20090879844358 0.31854045688989 15.999 > 28 110 O 0.39126807520872 0.70090879844358 0.31854045688989 15.999 > 28 111 O 0.39126807520872 0.20090879844358 0.81854045688989 15.999 > 28 112 O 0.39126807520872 0.70090879844358 0.81854045688989 15.999 > 28 113 O 0.72816919653473 0.37500000000000 0.04378161817429 15.999 > 29 114 O 0.72816919653473 0.87500000000000 0.04378161817429 15.999 > 29 115 O 0.72816919653473 0.37500000000000 0.54378161817429 15.999 > 29 116 O 0.72816919653473 0.87500000000000 0.54378161817429 15.999 > 29 117 O 0.27183080346527 0.12500000000000 0.45621838182571 15.999 > 30 118 O 0.27183080346527 0.62500000000000 0.45621838182571 15.999 > 30 119 O 0.27183080346527 0.12500000000000 0.95621838182571 15.999 > 30 120 O 0.27183080346527 0.62500000000000 0.95621838182571 15.999 > 30 121 O 0.77183080346527 0.12500000000000 0.29378161817429 15.999 > 31 122 O 0.77183080346527 0.62500000000000 0.29378161817429 15.999 > 31 123 O 0.77183080346527 0.12500000000000 0.79378161817429 15.999 > 31 124 O 0.77183080346527 0.62500000000000 0.79378161817429 15.999 > 31 125 O 0.10873192479128 0.29909120155642 0.06854045688989 15.999 > 32 126 O 0.10873192479128 0.79909120155642 0.06854045688989 15.999 > 32 127 O 0.10873192479128 0.29909120155642 0.56854045688989 15.999 > 32 128 O 0.10873192479128 0.79909120155642 0.56854045688989 15.999 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5842967 0.0000000 0.0000000 0.0000000 2.5741589 0.0000000 0.0000000 0.0000000 2.5661013 -------------------------- Born effective charges -------------------------- 1 Rb 1.2468279 0.0000000 -0.1317096 0.0000000 1.3040879 0.0000000 -0.0757802 0.0000000 1.2873994 2 Rb 1.2704656 -0.0149989 0.0360010 -0.0299602 1.2114183 -0.1266133 0.0245248 -0.1453784 1.1870749 3 Rb 1.2468279 0.0000000 -0.1317096 0.0000000 1.3040879 0.0000000 -0.0757802 0.0000000 1.2873994 4 Rb 1.2704656 -0.0149989 -0.0360010 -0.0299602 1.2114183 0.1266133 -0.0245248 0.1453784 1.1870749 5 Rb 1.2704656 0.0149989 0.0360010 0.0299602 1.2114183 0.1266133 0.0245248 0.1453784 1.1870749 6 Rb 1.2704656 0.0149989 -0.0360010 0.0299602 1.2114183 -0.1266133 -0.0245248 -0.1453784 1.1870749 7 Rb 1.2468279 0.0000000 0.1317096 0.0000000 1.3040879 0.0000000 0.0757802 0.0000000 1.2873994 8 Rb 1.2704656 0.0149989 0.0360010 0.0299602 1.2114183 0.1266133 0.0245248 0.1453784 1.1870749 9 Rb 1.2704656 -0.0149989 0.0360010 -0.0299602 1.2114183 -0.1266133 0.0245248 -0.1453784 1.1870749 10 Rb 1.2704656 0.0149989 -0.0360010 0.0299602 1.2114183 -0.1266133 -0.0245248 -0.1453784 1.1870749 11 Rb 1.2704656 -0.0149989 -0.0360010 -0.0299602 1.2114183 0.1266133 -0.0245248 0.1453784 1.1870749 12 Rb 1.2468279 0.0000000 0.1317096 0.0000000 1.3040879 0.0000000 0.0757802 0.0000000 1.2873994 13 P 2.9339065 0.0000000 -0.0864054 0.0000000 2.9787979 0.0000000 -0.0325320 0.0000000 2.9196570 14 P 2.9339065 0.0000000 0.0864054 0.0000000 2.9787979 0.0000000 0.0325320 0.0000000 2.9196570 15 P 2.9339065 0.0000000 -0.0864054 0.0000000 2.9787979 0.0000000 -0.0325320 0.0000000 2.9196570 16 P 2.9339065 0.0000000 0.0864054 0.0000000 2.9787979 0.0000000 0.0325320 0.0000000 2.9196570 17 O -1.2986017 -0.0070198 0.0886451 0.0050477 -2.0128829 0.5502664 0.0710295 0.5637089 -1.6162956 18 O -2.2100865 0.0000000 -0.4935598 0.0000000 -1.3538884 0.0000000 -0.4802119 0.0000000 -1.5462247 19 O -1.2986017 -0.0070198 -0.0886451 0.0050477 -2.0128829 -0.5502664 -0.0710295 -0.5637089 -1.6162956 20 O -1.2986017 0.0070198 -0.0886451 -0.0050477 -2.0128829 0.5502664 -0.0710295 0.5637089 -1.6162956 21 O -1.2986017 0.0070198 -0.0886451 -0.0050477 -2.0128829 0.5502664 -0.0710295 0.5637089 -1.6162956 22 O -1.9143757 0.0000000 0.5313637 0.0000000 -1.3260681 0.0000000 0.4997314 0.0000000 -1.8023904 23 O -1.9143757 0.0000000 -0.5313637 0.0000000 -1.3260681 0.0000000 -0.4997314 0.0000000 -1.8023904 24 O -1.9143757 0.0000000 -0.5313637 0.0000000 -1.3260681 0.0000000 -0.4997314 0.0000000 -1.8023904 25 O -1.2986017 0.0070198 0.0886451 -0.0050477 -2.0128829 -0.5502664 0.0710295 -0.5637089 -1.6162956 26 O -1.2986017 0.0070198 0.0886451 -0.0050477 -2.0128829 -0.5502664 0.0710295 -0.5637089 -1.6162956 27 O -1.9143757 0.0000000 0.5313637 0.0000000 -1.3260681 0.0000000 0.4997314 0.0000000 -1.8023904 28 O -1.2986017 -0.0070198 0.0886451 0.0050477 -2.0128829 0.5502664 0.0710295 0.5637089 -1.6162956 29 O -2.2100865 0.0000000 0.4935598 0.0000000 -1.3538884 0.0000000 0.4802119 0.0000000 -1.5462247 30 O -2.2100865 0.0000000 0.4935598 0.0000000 -1.3538884 0.0000000 0.4802119 0.0000000 -1.5462247 31 O -2.2100865 0.0000000 -0.4935598 0.0000000 -1.3538884 0.0000000 -0.4802119 0.0000000 -1.5462247 32 O -1.2986017 -0.0070198 -0.0886451 0.0050477 -2.0128829 -0.5502664 -0.0710295 -0.5637089 -1.6162956 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2456 Number of blocks in projector: 2456 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: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 239 eigenvectors found. (2) Block: 576 / 576 (2) 69 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 448 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 448 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 328 Use standard eigh solver. Tree of FC basis block matrices: - (2456, 2418), data: False |-- (328, 322), data: True |-- (328, 322), data: True |-- (328, 322), data: True |-- (448, 444), data: True |-- (448, 444), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 18), data: (576, 30) @ (30, 18) |-- (76, 69), data: True |-- (250, 239), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 1.089 Solver_block: 200 / 480 - Time: 1.490 Solver_block: 300 / 480 - Time: 1.126 Solver_block: 400 / 480 - Time: 1.821 Solver_block: 480 / 480 - Time: 1.584 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.619 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2456 Number of blocks in projector: 2456 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: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 239 eigenvectors found. (2) Block: 576 / 576 (2) 69 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 448 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 448 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 328 Use standard eigh solver. Tree of FC basis block matrices: - (2456, 2418), data: False |-- (328, 322), data: True |-- (328, 322), data: True |-- (328, 322), data: True |-- (448, 444), data: True |-- (448, 444), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 18), data: (576, 30) @ (30, 18) |-- (76, 69), data: True |-- (250, 239), data: True |-- (250, 238), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 13:58:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 13:58:01]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.703841309999998 0.000000000000000 0.000000000000000 b 0.000000000000000 8.450525349999998 0.000000000000000 c 0.000000000000000 0.000000000000000 6.197692939999999 Atomic positions (fractional): 1 Rb 0.07070142516154 0.25000000000000 0.13602830601242 85.468 2 Rb 0.14425053663775 0.49213092163525 0.69017683647618 85.468 3 Rb 0.92929857483846 0.75000000000000 0.86397169398758 85.468 4 Rb 0.35574946336225 0.50786907836475 0.19017683647618 85.468 5 Rb 0.14425053663775 0.00786907836475 0.69017683647618 85.468 6 Rb 0.35574946336225 0.99213092163525 0.19017683647618 85.468 7 Rb 0.42929857483846 0.75000000000000 0.63602830601242 85.468 8 Rb 0.85574946336225 0.99213092163525 0.30982316352382 85.468 9 Rb 0.85574946336225 0.50786907836475 0.30982316352382 85.468 10 Rb 0.64425053663775 0.00786907836475 0.80982316352382 85.468 11 Rb 0.64425053663775 0.49213092163525 0.80982316352382 85.468 12 Rb 0.57070142516154 0.25000000000000 0.36397169398758 85.468 13 P 0.38546929695349 0.25000000000000 0.77988653229741 30.974 14 P 0.11453070304651 0.75000000000000 0.27988653229741 30.974 15 P 0.61453070304651 0.75000000000000 0.22011346770259 30.974 16 P 0.88546929695349 0.25000000000000 0.72011346770259 30.974 17 O 0.60873192479128 0.59818240311285 0.36291908622021 15.999 18 O 0.22816919653473 0.75000000000000 0.41243676365142 15.999 19 O 0.89126807520872 0.40181759688715 0.86291908622021 15.999 20 O 0.10873192479128 0.90181759688715 0.13708091377979 15.999 21 O 0.89126807520872 0.09818240311285 0.86291908622021 15.999 22 O 0.98792011845880 0.25000000000000 0.55751139892375 15.999 23 O 0.51207988154120 0.75000000000000 0.05751139892375 15.999 24 O 0.48792011845880 0.25000000000000 0.94248860107625 15.999 25 O 0.39126807520872 0.09818240311285 0.63708091377979 15.999 26 O 0.60873192479128 0.90181759688715 0.36291908622021 15.999 27 O 0.01207988154120 0.75000000000000 0.44248860107625 15.999 28 O 0.39126807520872 0.40181759688715 0.63708091377979 15.999 29 O 0.72816919653473 0.75000000000000 0.08756323634858 15.999 30 O 0.27183080346527 0.25000000000000 0.91243676365142 15.999 31 O 0.77183080346527 0.25000000000000 0.58756323634858 15.999 32 O 0.10873192479128 0.59818240311285 0.13708091377979 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.703841309999998 0.000000000000000 0.000000000000000 b 0.000000000000000 16.901050699999995 0.000000000000000 c 0.000000000000000 0.000000000000000 12.395385879999997 Atomic positions (fractional): 1 Rb 0.07070142516154 0.12500000000000 0.06801415300621 85.468 > 1 2 Rb 0.07070142516154 0.62500000000000 0.06801415300621 85.468 > 1 3 Rb 0.07070142516154 0.12500000000000 0.56801415300621 85.468 > 1 4 Rb 0.07070142516154 0.62500000000000 0.56801415300621 85.468 > 1 5 Rb 0.14425053663775 0.24606546081762 0.34508841823809 85.468 > 5 6 Rb 0.14425053663775 0.74606546081762 0.34508841823809 85.468 > 5 7 Rb 0.14425053663775 0.24606546081762 0.84508841823809 85.468 > 5 8 Rb 0.14425053663775 0.74606546081762 0.84508841823809 85.468 > 5 9 Rb 0.92929857483846 0.37500000000000 0.43198584699379 85.468 > 9 10 Rb 0.92929857483846 0.87500000000000 0.43198584699379 85.468 > 9 11 Rb 0.92929857483846 0.37500000000000 0.93198584699379 85.468 > 9 12 Rb 0.92929857483846 0.87500000000000 0.93198584699379 85.468 > 9 13 Rb 0.35574946336225 0.25393453918238 0.09508841823809 85.468 > 13 14 Rb 0.35574946336225 0.75393453918238 0.09508841823809 85.468 > 13 15 Rb 0.35574946336225 0.25393453918238 0.59508841823809 85.468 > 13 16 Rb 0.35574946336225 0.75393453918238 0.59508841823809 85.468 > 13 17 Rb 0.14425053663775 0.00393453918238 0.34508841823809 85.468 > 17 18 Rb 0.14425053663775 0.50393453918238 0.34508841823809 85.468 > 17 19 Rb 0.14425053663775 0.00393453918238 0.84508841823809 85.468 > 17 20 Rb 0.14425053663775 0.50393453918238 0.84508841823809 85.468 > 17 21 Rb 0.35574946336225 0.49606546081762 0.09508841823809 85.468 > 21 22 Rb 0.35574946336225 0.99606546081762 0.09508841823809 85.468 > 21 23 Rb 0.35574946336225 0.49606546081762 0.59508841823809 85.468 > 21 24 Rb 0.35574946336225 0.99606546081762 0.59508841823809 85.468 > 21 25 Rb 0.42929857483846 0.37500000000000 0.31801415300621 85.468 > 25 26 Rb 0.42929857483846 0.87500000000000 0.31801415300621 85.468 > 25 27 Rb 0.42929857483846 0.37500000000000 0.81801415300621 85.468 > 25 28 Rb 0.42929857483846 0.87500000000000 0.81801415300621 85.468 > 25 29 Rb 0.85574946336225 0.49606546081762 0.15491158176191 85.468 > 29 30 Rb 0.85574946336225 0.99606546081762 0.15491158176191 85.468 > 29 31 Rb 0.85574946336225 0.49606546081762 0.65491158176191 85.468 > 29 32 Rb 0.85574946336225 0.99606546081762 0.65491158176191 85.468 > 29 33 Rb 0.85574946336225 0.25393453918238 0.15491158176191 85.468 > 33 34 Rb 0.85574946336225 0.75393453918238 0.15491158176191 85.468 > 33 35 Rb 0.85574946336225 0.25393453918238 0.65491158176191 85.468 > 33 36 Rb 0.85574946336225 0.75393453918238 0.65491158176191 85.468 > 33 37 Rb 0.64425053663775 0.00393453918238 0.40491158176191 85.468 > 37 38 Rb 0.64425053663775 0.50393453918238 0.40491158176191 85.468 > 37 39 Rb 0.64425053663775 0.00393453918238 0.90491158176191 85.468 > 37 40 Rb 0.64425053663775 0.50393453918238 0.90491158176191 85.468 > 37 41 Rb 0.64425053663775 0.24606546081762 0.40491158176191 85.468 > 41 42 Rb 0.64425053663775 0.74606546081762 0.40491158176191 85.468 > 41 43 Rb 0.64425053663775 0.24606546081762 0.90491158176191 85.468 > 41 44 Rb 0.64425053663775 0.74606546081762 0.90491158176191 85.468 > 41 45 Rb 0.57070142516154 0.12500000000000 0.18198584699379 85.468 > 45 46 Rb 0.57070142516154 0.62500000000000 0.18198584699379 85.468 > 45 47 Rb 0.57070142516154 0.12500000000000 0.68198584699379 85.468 > 45 48 Rb 0.57070142516154 0.62500000000000 0.68198584699379 85.468 > 45 49 P 0.38546929695349 0.12500000000000 0.38994326614870 30.974 > 49 50 P 0.38546929695349 0.62500000000000 0.38994326614870 30.974 > 49 51 P 0.38546929695349 0.12500000000000 0.88994326614870 30.974 > 49 52 P 0.38546929695349 0.62500000000000 0.88994326614870 30.974 > 49 53 P 0.11453070304651 0.37500000000000 0.13994326614870 30.974 > 53 54 P 0.11453070304651 0.87500000000000 0.13994326614870 30.974 > 53 55 P 0.11453070304651 0.37500000000000 0.63994326614870 30.974 > 53 56 P 0.11453070304651 0.87500000000000 0.63994326614870 30.974 > 53 57 P 0.61453070304651 0.37500000000000 0.11005673385130 30.974 > 57 58 P 0.61453070304651 0.87500000000000 0.11005673385130 30.974 > 57 59 P 0.61453070304651 0.37500000000000 0.61005673385130 30.974 > 57 60 P 0.61453070304651 0.87500000000000 0.61005673385130 30.974 > 57 61 P 0.88546929695349 0.12500000000000 0.36005673385130 30.974 > 61 62 P 0.88546929695349 0.62500000000000 0.36005673385130 30.974 > 61 63 P 0.88546929695349 0.12500000000000 0.86005673385130 30.974 > 61 64 P 0.88546929695349 0.62500000000000 0.86005673385130 30.974 > 61 65 O 0.60873192479128 0.29909120155642 0.18145954311011 15.999 > 65 66 O 0.60873192479128 0.79909120155642 0.18145954311011 15.999 > 65 67 O 0.60873192479128 0.29909120155642 0.68145954311011 15.999 > 65 68 O 0.60873192479128 0.79909120155642 0.68145954311011 15.999 > 65 69 O 0.22816919653473 0.37500000000000 0.20621838182571 15.999 > 69 70 O 0.22816919653473 0.87500000000000 0.20621838182571 15.999 > 69 71 O 0.22816919653473 0.37500000000000 0.70621838182571 15.999 > 69 72 O 0.22816919653473 0.87500000000000 0.70621838182571 15.999 > 69 73 O 0.89126807520872 0.20090879844358 0.43145954311011 15.999 > 73 74 O 0.89126807520872 0.70090879844358 0.43145954311011 15.999 > 73 75 O 0.89126807520872 0.20090879844358 0.93145954311011 15.999 > 73 76 O 0.89126807520872 0.70090879844358 0.93145954311011 15.999 > 73 77 O 0.10873192479128 0.45090879844358 0.06854045688989 15.999 > 77 78 O 0.10873192479128 0.95090879844358 0.06854045688989 15.999 > 77 79 O 0.10873192479128 0.45090879844358 0.56854045688989 15.999 > 77 80 O 0.10873192479128 0.95090879844358 0.56854045688989 15.999 > 77 81 O 0.89126807520872 0.04909120155642 0.43145954311011 15.999 > 81 82 O 0.89126807520872 0.54909120155642 0.43145954311011 15.999 > 81 83 O 0.89126807520872 0.04909120155642 0.93145954311011 15.999 > 81 84 O 0.89126807520872 0.54909120155642 0.93145954311011 15.999 > 81 85 O 0.98792011845880 0.12500000000000 0.27875569946188 15.999 > 85 86 O 0.98792011845880 0.62500000000000 0.27875569946188 15.999 > 85 87 O 0.98792011845880 0.12500000000000 0.77875569946188 15.999 > 85 88 O 0.98792011845880 0.62500000000000 0.77875569946188 15.999 > 85 89 O 0.51207988154120 0.37500000000000 0.02875569946188 15.999 > 89 90 O 0.51207988154120 0.87500000000000 0.02875569946188 15.999 > 89 91 O 0.51207988154120 0.37500000000000 0.52875569946188 15.999 > 89 92 O 0.51207988154120 0.87500000000000 0.52875569946188 15.999 > 89 93 O 0.48792011845880 0.12500000000000 0.47124430053812 15.999 > 93 94 O 0.48792011845880 0.62500000000000 0.47124430053812 15.999 > 93 95 O 0.48792011845880 0.12500000000000 0.97124430053812 15.999 > 93 96 O 0.48792011845880 0.62500000000000 0.97124430053812 15.999 > 93 97 O 0.39126807520872 0.04909120155642 0.31854045688989 15.999 > 97 98 O 0.39126807520872 0.54909120155642 0.31854045688989 15.999 > 97 99 O 0.39126807520872 0.04909120155642 0.81854045688989 15.999 > 97 100 O 0.39126807520872 0.54909120155642 0.81854045688989 15.999 > 97 101 O 0.60873192479128 0.45090879844358 0.18145954311011 15.999 > 101 102 O 0.60873192479128 0.95090879844358 0.18145954311011 15.999 > 101 103 O 0.60873192479128 0.45090879844358 0.68145954311011 15.999 > 101 104 O 0.60873192479128 0.95090879844358 0.68145954311011 15.999 > 101 105 O 0.01207988154120 0.37500000000000 0.22124430053812 15.999 > 105 106 O 0.01207988154120 0.87500000000000 0.22124430053812 15.999 > 105 107 O 0.01207988154120 0.37500000000000 0.72124430053812 15.999 > 105 108 O 0.01207988154120 0.87500000000000 0.72124430053812 15.999 > 105 109 O 0.39126807520872 0.20090879844358 0.31854045688989 15.999 > 109 110 O 0.39126807520872 0.70090879844358 0.31854045688989 15.999 > 109 111 O 0.39126807520872 0.20090879844358 0.81854045688989 15.999 > 109 112 O 0.39126807520872 0.70090879844358 0.81854045688989 15.999 > 109 113 O 0.72816919653473 0.37500000000000 0.04378161817429 15.999 > 113 114 O 0.72816919653473 0.87500000000000 0.04378161817429 15.999 > 113 115 O 0.72816919653473 0.37500000000000 0.54378161817429 15.999 > 113 116 O 0.72816919653473 0.87500000000000 0.54378161817429 15.999 > 113 117 O 0.27183080346527 0.12500000000000 0.45621838182571 15.999 > 117 118 O 0.27183080346527 0.62500000000000 0.45621838182571 15.999 > 117 119 O 0.27183080346527 0.12500000000000 0.95621838182571 15.999 > 117 120 O 0.27183080346527 0.62500000000000 0.95621838182571 15.999 > 117 121 O 0.77183080346527 0.12500000000000 0.29378161817429 15.999 > 121 122 O 0.77183080346527 0.62500000000000 0.29378161817429 15.999 > 121 123 O 0.77183080346527 0.12500000000000 0.79378161817429 15.999 > 121 124 O 0.77183080346527 0.62500000000000 0.79378161817429 15.999 > 121 125 O 0.10873192479128 0.29909120155642 0.06854045688989 15.999 > 125 126 O 0.10873192479128 0.79909120155642 0.06854045688989 15.999 > 125 127 O 0.10873192479128 0.29909120155642 0.56854045688989 15.999 > 125 128 O 0.10873192479128 0.79909120155642 0.56854045688989 15.999 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5842967 0.0000000 0.0000000 0.0000000 2.5741589 0.0000000 0.0000000 0.0000000 2.5661013 -------------------------- Born effective charges -------------------------- 1 Rb 1.2468279 0.0000000 -0.1317096 0.0000000 1.3040879 0.0000000 -0.0757802 0.0000000 1.2873994 2 Rb 1.2704656 -0.0149989 0.0360010 -0.0299602 1.2114183 -0.1266133 0.0245248 -0.1453784 1.1870749 3 Rb 1.2468279 0.0000000 -0.1317096 0.0000000 1.3040879 0.0000000 -0.0757802 0.0000000 1.2873994 4 Rb 1.2704656 -0.0149989 -0.0360010 -0.0299602 1.2114183 0.1266133 -0.0245248 0.1453784 1.1870749 5 Rb 1.2704656 0.0149989 0.0360010 0.0299602 1.2114183 0.1266133 0.0245248 0.1453784 1.1870749 6 Rb 1.2704656 0.0149989 -0.0360010 0.0299602 1.2114183 -0.1266133 -0.0245248 -0.1453784 1.1870749 7 Rb 1.2468279 0.0000000 0.1317096 0.0000000 1.3040879 0.0000000 0.0757802 0.0000000 1.2873994 8 Rb 1.2704656 0.0149989 0.0360010 0.0299602 1.2114183 0.1266133 0.0245248 0.1453784 1.1870749 9 Rb 1.2704656 -0.0149989 0.0360010 -0.0299602 1.2114183 -0.1266133 0.0245248 -0.1453784 1.1870749 10 Rb 1.2704656 0.0149989 -0.0360010 0.0299602 1.2114183 -0.1266133 -0.0245248 -0.1453784 1.1870749 11 Rb 1.2704656 -0.0149989 -0.0360010 -0.0299602 1.2114183 0.1266133 -0.0245248 0.1453784 1.1870749 12 Rb 1.2468279 0.0000000 0.1317096 0.0000000 1.3040879 0.0000000 0.0757802 0.0000000 1.2873994 13 P 2.9339065 0.0000000 -0.0864054 0.0000000 2.9787979 0.0000000 -0.0325320 0.0000000 2.9196570 14 P 2.9339065 0.0000000 0.0864054 0.0000000 2.9787979 0.0000000 0.0325320 0.0000000 2.9196570 15 P 2.9339065 0.0000000 -0.0864054 0.0000000 2.9787979 0.0000000 -0.0325320 0.0000000 2.9196570 16 P 2.9339065 0.0000000 0.0864054 0.0000000 2.9787979 0.0000000 0.0325320 0.0000000 2.9196570 17 O -1.2986017 -0.0070198 0.0886451 0.0050477 -2.0128829 0.5502664 0.0710295 0.5637089 -1.6162956 18 O -2.2100865 0.0000000 -0.4935598 0.0000000 -1.3538884 0.0000000 -0.4802119 0.0000000 -1.5462247 19 O -1.2986017 -0.0070198 -0.0886451 0.0050477 -2.0128829 -0.5502664 -0.0710295 -0.5637089 -1.6162956 20 O -1.2986017 0.0070198 -0.0886451 -0.0050477 -2.0128829 0.5502664 -0.0710295 0.5637089 -1.6162956 21 O -1.2986017 0.0070198 -0.0886451 -0.0050477 -2.0128829 0.5502664 -0.0710295 0.5637089 -1.6162956 22 O -1.9143757 0.0000000 0.5313637 0.0000000 -1.3260681 0.0000000 0.4997314 0.0000000 -1.8023904 23 O -1.9143757 0.0000000 -0.5313637 0.0000000 -1.3260681 0.0000000 -0.4997314 0.0000000 -1.8023904 24 O -1.9143757 0.0000000 -0.5313637 0.0000000 -1.3260681 0.0000000 -0.4997314 0.0000000 -1.8023904 25 O -1.2986017 0.0070198 0.0886451 -0.0050477 -2.0128829 -0.5502664 0.0710295 -0.5637089 -1.6162956 26 O -1.2986017 0.0070198 0.0886451 -0.0050477 -2.0128829 -0.5502664 0.0710295 -0.5637089 -1.6162956 27 O -1.9143757 0.0000000 0.5313637 0.0000000 -1.3260681 0.0000000 0.4997314 0.0000000 -1.8023904 28 O -1.2986017 -0.0070198 0.0886451 0.0050477 -2.0128829 0.5502664 0.0710295 0.5637089 -1.6162956 29 O -2.2100865 0.0000000 0.4935598 0.0000000 -1.3538884 0.0000000 0.4802119 0.0000000 -1.5462247 30 O -2.2100865 0.0000000 0.4935598 0.0000000 -1.3538884 0.0000000 0.4802119 0.0000000 -1.5462247 31 O -2.2100865 0.0000000 -0.4935598 0.0000000 -1.3538884 0.0000000 -0.4802119 0.0000000 -1.5462247 32 O -1.2986017 -0.0070198 -0.0886451 0.0050477 -2.0128829 -0.5502664 -0.0710295 -0.5637089 -1.6162956 ---------------------------------------------------------------------------- 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[ 5, 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[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 69, 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[ 85, 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: 0.00000003 (xzx) 0.00000003 (xzx) 0.00000003 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (xz) -0.00000001 (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 2026-01-08 13:58:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 13:58:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.703841309999998 0.000000000000000 0.000000000000000 b 0.000000000000000 8.450525349999998 0.000000000000000 c 0.000000000000000 0.000000000000000 6.197692939999999 Atomic positions (fractional): 1 Rb 0.07070142516154 0.25000000000000 0.13602830601242 85.468 2 Rb 0.14425053663775 0.49213092163525 0.69017683647618 85.468 3 Rb 0.92929857483846 0.75000000000000 0.86397169398758 85.468 4 Rb 0.35574946336225 0.50786907836475 0.19017683647618 85.468 5 Rb 0.14425053663775 0.00786907836475 0.69017683647618 85.468 6 Rb 0.35574946336225 0.99213092163525 0.19017683647618 85.468 7 Rb 0.42929857483846 0.75000000000000 0.63602830601242 85.468 8 Rb 0.85574946336225 0.99213092163525 0.30982316352382 85.468 9 Rb 0.85574946336225 0.50786907836475 0.30982316352382 85.468 10 Rb 0.64425053663775 0.00786907836475 0.80982316352382 85.468 11 Rb 0.64425053663775 0.49213092163525 0.80982316352382 85.468 12 Rb 0.57070142516154 0.25000000000000 0.36397169398758 85.468 13 P 0.38546929695349 0.25000000000000 0.77988653229741 30.974 14 P 0.11453070304651 0.75000000000000 0.27988653229741 30.974 15 P 0.61453070304651 0.75000000000000 0.22011346770259 30.974 16 P 0.88546929695349 0.25000000000000 0.72011346770259 30.974 17 O 0.60873192479128 0.59818240311285 0.36291908622021 15.999 18 O 0.22816919653473 0.75000000000000 0.41243676365142 15.999 19 O 0.89126807520872 0.40181759688715 0.86291908622021 15.999 20 O 0.10873192479128 0.90181759688715 0.13708091377979 15.999 21 O 0.89126807520872 0.09818240311285 0.86291908622021 15.999 22 O 0.98792011845880 0.25000000000000 0.55751139892375 15.999 23 O 0.51207988154120 0.75000000000000 0.05751139892375 15.999 24 O 0.48792011845880 0.25000000000000 0.94248860107625 15.999 25 O 0.39126807520872 0.09818240311285 0.63708091377979 15.999 26 O 0.60873192479128 0.90181759688715 0.36291908622021 15.999 27 O 0.01207988154120 0.75000000000000 0.44248860107625 15.999 28 O 0.39126807520872 0.40181759688715 0.63708091377979 15.999 29 O 0.72816919653473 0.75000000000000 0.08756323634858 15.999 30 O 0.27183080346527 0.25000000000000 0.91243676365142 15.999 31 O 0.77183080346527 0.25000000000000 0.58756323634858 15.999 32 O 0.10873192479128 0.59818240311285 0.13708091377979 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.703841309999998 0.000000000000000 0.000000000000000 b 0.000000000000000 16.901050699999995 0.000000000000000 c 0.000000000000000 0.000000000000000 12.395385879999997 Atomic positions (fractional): 1 Rb 0.07070142516154 0.12500000000000 0.06801415300621 85.468 > 1 2 Rb 0.07070142516154 0.62500000000000 0.06801415300621 85.468 > 1 3 Rb 0.07070142516154 0.12500000000000 0.56801415300621 85.468 > 1 4 Rb 0.07070142516154 0.62500000000000 0.56801415300621 85.468 > 1 5 Rb 0.14425053663775 0.24606546081762 0.34508841823809 85.468 > 5 6 Rb 0.14425053663775 0.74606546081762 0.34508841823809 85.468 > 5 7 Rb 0.14425053663775 0.24606546081762 0.84508841823809 85.468 > 5 8 Rb 0.14425053663775 0.74606546081762 0.84508841823809 85.468 > 5 9 Rb 0.92929857483846 0.37500000000000 0.43198584699379 85.468 > 9 10 Rb 0.92929857483846 0.87500000000000 0.43198584699379 85.468 > 9 11 Rb 0.92929857483846 0.37500000000000 0.93198584699379 85.468 > 9 12 Rb 0.92929857483846 0.87500000000000 0.93198584699379 85.468 > 9 13 Rb 0.35574946336225 0.25393453918238 0.09508841823809 85.468 > 13 14 Rb 0.35574946336225 0.75393453918238 0.09508841823809 85.468 > 13 15 Rb 0.35574946336225 0.25393453918238 0.59508841823809 85.468 > 13 16 Rb 0.35574946336225 0.75393453918238 0.59508841823809 85.468 > 13 17 Rb 0.14425053663775 0.00393453918238 0.34508841823809 85.468 > 17 18 Rb 0.14425053663775 0.50393453918238 0.34508841823809 85.468 > 17 19 Rb 0.14425053663775 0.00393453918238 0.84508841823809 85.468 > 17 20 Rb 0.14425053663775 0.50393453918238 0.84508841823809 85.468 > 17 21 Rb 0.35574946336225 0.49606546081762 0.09508841823809 85.468 > 21 22 Rb 0.35574946336225 0.99606546081762 0.09508841823809 85.468 > 21 23 Rb 0.35574946336225 0.49606546081762 0.59508841823809 85.468 > 21 24 Rb 0.35574946336225 0.99606546081762 0.59508841823809 85.468 > 21 25 Rb 0.42929857483846 0.37500000000000 0.31801415300621 85.468 > 25 26 Rb 0.42929857483846 0.87500000000000 0.31801415300621 85.468 > 25 27 Rb 0.42929857483846 0.37500000000000 0.81801415300621 85.468 > 25 28 Rb 0.42929857483846 0.87500000000000 0.81801415300621 85.468 > 25 29 Rb 0.85574946336225 0.49606546081762 0.15491158176191 85.468 > 29 30 Rb 0.85574946336225 0.99606546081762 0.15491158176191 85.468 > 29 31 Rb 0.85574946336225 0.49606546081762 0.65491158176191 85.468 > 29 32 Rb 0.85574946336225 0.99606546081762 0.65491158176191 85.468 > 29 33 Rb 0.85574946336225 0.25393453918238 0.15491158176191 85.468 > 33 34 Rb 0.85574946336225 0.75393453918238 0.15491158176191 85.468 > 33 35 Rb 0.85574946336225 0.25393453918238 0.65491158176191 85.468 > 33 36 Rb 0.85574946336225 0.75393453918238 0.65491158176191 85.468 > 33 37 Rb 0.64425053663775 0.00393453918238 0.40491158176191 85.468 > 37 38 Rb 0.64425053663775 0.50393453918238 0.40491158176191 85.468 > 37 39 Rb 0.64425053663775 0.00393453918238 0.90491158176191 85.468 > 37 40 Rb 0.64425053663775 0.50393453918238 0.90491158176191 85.468 > 37 41 Rb 0.64425053663775 0.24606546081762 0.40491158176191 85.468 > 41 42 Rb 0.64425053663775 0.74606546081762 0.40491158176191 85.468 > 41 43 Rb 0.64425053663775 0.24606546081762 0.90491158176191 85.468 > 41 44 Rb 0.64425053663775 0.74606546081762 0.90491158176191 85.468 > 41 45 Rb 0.57070142516154 0.12500000000000 0.18198584699379 85.468 > 45 46 Rb 0.57070142516154 0.62500000000000 0.18198584699379 85.468 > 45 47 Rb 0.57070142516154 0.12500000000000 0.68198584699379 85.468 > 45 48 Rb 0.57070142516154 0.62500000000000 0.68198584699379 85.468 > 45 49 P 0.38546929695349 0.12500000000000 0.38994326614870 30.974 > 49 50 P 0.38546929695349 0.62500000000000 0.38994326614870 30.974 > 49 51 P 0.38546929695349 0.12500000000000 0.88994326614870 30.974 > 49 52 P 0.38546929695349 0.62500000000000 0.88994326614870 30.974 > 49 53 P 0.11453070304651 0.37500000000000 0.13994326614870 30.974 > 53 54 P 0.11453070304651 0.87500000000000 0.13994326614870 30.974 > 53 55 P 0.11453070304651 0.37500000000000 0.63994326614870 30.974 > 53 56 P 0.11453070304651 0.87500000000000 0.63994326614870 30.974 > 53 57 P 0.61453070304651 0.37500000000000 0.11005673385130 30.974 > 57 58 P 0.61453070304651 0.87500000000000 0.11005673385130 30.974 > 57 59 P 0.61453070304651 0.37500000000000 0.61005673385130 30.974 > 57 60 P 0.61453070304651 0.87500000000000 0.61005673385130 30.974 > 57 61 P 0.88546929695349 0.12500000000000 0.36005673385130 30.974 > 61 62 P 0.88546929695349 0.62500000000000 0.36005673385130 30.974 > 61 63 P 0.88546929695349 0.12500000000000 0.86005673385130 30.974 > 61 64 P 0.88546929695349 0.62500000000000 0.86005673385130 30.974 > 61 65 O 0.60873192479128 0.29909120155642 0.18145954311011 15.999 > 65 66 O 0.60873192479128 0.79909120155642 0.18145954311011 15.999 > 65 67 O 0.60873192479128 0.29909120155642 0.68145954311011 15.999 > 65 68 O 0.60873192479128 0.79909120155642 0.68145954311011 15.999 > 65 69 O 0.22816919653473 0.37500000000000 0.20621838182571 15.999 > 69 70 O 0.22816919653473 0.87500000000000 0.20621838182571 15.999 > 69 71 O 0.22816919653473 0.37500000000000 0.70621838182571 15.999 > 69 72 O 0.22816919653473 0.87500000000000 0.70621838182571 15.999 > 69 73 O 0.89126807520872 0.20090879844358 0.43145954311011 15.999 > 73 74 O 0.89126807520872 0.70090879844358 0.43145954311011 15.999 > 73 75 O 0.89126807520872 0.20090879844358 0.93145954311011 15.999 > 73 76 O 0.89126807520872 0.70090879844358 0.93145954311011 15.999 > 73 77 O 0.10873192479128 0.45090879844358 0.06854045688989 15.999 > 77 78 O 0.10873192479128 0.95090879844358 0.06854045688989 15.999 > 77 79 O 0.10873192479128 0.45090879844358 0.56854045688989 15.999 > 77 80 O 0.10873192479128 0.95090879844358 0.56854045688989 15.999 > 77 81 O 0.89126807520872 0.04909120155642 0.43145954311011 15.999 > 81 82 O 0.89126807520872 0.54909120155642 0.43145954311011 15.999 > 81 83 O 0.89126807520872 0.04909120155642 0.93145954311011 15.999 > 81 84 O 0.89126807520872 0.54909120155642 0.93145954311011 15.999 > 81 85 O 0.98792011845880 0.12500000000000 0.27875569946188 15.999 > 85 86 O 0.98792011845880 0.62500000000000 0.27875569946188 15.999 > 85 87 O 0.98792011845880 0.12500000000000 0.77875569946188 15.999 > 85 88 O 0.98792011845880 0.62500000000000 0.77875569946188 15.999 > 85 89 O 0.51207988154120 0.37500000000000 0.02875569946188 15.999 > 89 90 O 0.51207988154120 0.87500000000000 0.02875569946188 15.999 > 89 91 O 0.51207988154120 0.37500000000000 0.52875569946188 15.999 > 89 92 O 0.51207988154120 0.87500000000000 0.52875569946188 15.999 > 89 93 O 0.48792011845880 0.12500000000000 0.47124430053812 15.999 > 93 94 O 0.48792011845880 0.62500000000000 0.47124430053812 15.999 > 93 95 O 0.48792011845880 0.12500000000000 0.97124430053812 15.999 > 93 96 O 0.48792011845880 0.62500000000000 0.97124430053812 15.999 > 93 97 O 0.39126807520872 0.04909120155642 0.31854045688989 15.999 > 97 98 O 0.39126807520872 0.54909120155642 0.31854045688989 15.999 > 97 99 O 0.39126807520872 0.04909120155642 0.81854045688989 15.999 > 97 100 O 0.39126807520872 0.54909120155642 0.81854045688989 15.999 > 97 101 O 0.60873192479128 0.45090879844358 0.18145954311011 15.999 > 101 102 O 0.60873192479128 0.95090879844358 0.18145954311011 15.999 > 101 103 O 0.60873192479128 0.45090879844358 0.68145954311011 15.999 > 101 104 O 0.60873192479128 0.95090879844358 0.68145954311011 15.999 > 101 105 O 0.01207988154120 0.37500000000000 0.22124430053812 15.999 > 105 106 O 0.01207988154120 0.87500000000000 0.22124430053812 15.999 > 105 107 O 0.01207988154120 0.37500000000000 0.72124430053812 15.999 > 105 108 O 0.01207988154120 0.87500000000000 0.72124430053812 15.999 > 105 109 O 0.39126807520872 0.20090879844358 0.31854045688989 15.999 > 109 110 O 0.39126807520872 0.70090879844358 0.31854045688989 15.999 > 109 111 O 0.39126807520872 0.20090879844358 0.81854045688989 15.999 > 109 112 O 0.39126807520872 0.70090879844358 0.81854045688989 15.999 > 109 113 O 0.72816919653473 0.37500000000000 0.04378161817429 15.999 > 113 114 O 0.72816919653473 0.87500000000000 0.04378161817429 15.999 > 113 115 O 0.72816919653473 0.37500000000000 0.54378161817429 15.999 > 113 116 O 0.72816919653473 0.87500000000000 0.54378161817429 15.999 > 113 117 O 0.27183080346527 0.12500000000000 0.45621838182571 15.999 > 117 118 O 0.27183080346527 0.62500000000000 0.45621838182571 15.999 > 117 119 O 0.27183080346527 0.12500000000000 0.95621838182571 15.999 > 117 120 O 0.27183080346527 0.62500000000000 0.95621838182571 15.999 > 117 121 O 0.77183080346527 0.12500000000000 0.29378161817429 15.999 > 121 122 O 0.77183080346527 0.62500000000000 0.29378161817429 15.999 > 121 123 O 0.77183080346527 0.12500000000000 0.79378161817429 15.999 > 121 124 O 0.77183080346527 0.62500000000000 0.79378161817429 15.999 > 121 125 O 0.10873192479128 0.29909120155642 0.06854045688989 15.999 > 125 126 O 0.10873192479128 0.79909120155642 0.06854045688989 15.999 > 125 127 O 0.10873192479128 0.29909120155642 0.56854045688989 15.999 > 125 128 O 0.10873192479128 0.79909120155642 0.56854045688989 15.999 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.5842967 0.0000000 0.0000000 0.0000000 2.5741589 0.0000000 0.0000000 0.0000000 2.5661013 -------------------------- Born effective charges -------------------------- 1 Rb 1.2468279 0.0000000 -0.1317096 0.0000000 1.3040879 0.0000000 -0.0757802 0.0000000 1.2873994 2 Rb 1.2704656 -0.0149989 0.0360010 -0.0299602 1.2114183 -0.1266133 0.0245248 -0.1453784 1.1870749 3 Rb 1.2468279 0.0000000 -0.1317096 0.0000000 1.3040879 0.0000000 -0.0757802 0.0000000 1.2873994 4 Rb 1.2704656 -0.0149989 -0.0360010 -0.0299602 1.2114183 0.1266133 -0.0245248 0.1453784 1.1870749 5 Rb 1.2704656 0.0149989 0.0360010 0.0299602 1.2114183 0.1266133 0.0245248 0.1453784 1.1870749 6 Rb 1.2704656 0.0149989 -0.0360010 0.0299602 1.2114183 -0.1266133 -0.0245248 -0.1453784 1.1870749 7 Rb 1.2468279 0.0000000 0.1317096 0.0000000 1.3040879 0.0000000 0.0757802 0.0000000 1.2873994 8 Rb 1.2704656 0.0149989 0.0360010 0.0299602 1.2114183 0.1266133 0.0245248 0.1453784 1.1870749 9 Rb 1.2704656 -0.0149989 0.0360010 -0.0299602 1.2114183 -0.1266133 0.0245248 -0.1453784 1.1870749 10 Rb 1.2704656 0.0149989 -0.0360010 0.0299602 1.2114183 -0.1266133 -0.0245248 -0.1453784 1.1870749 11 Rb 1.2704656 -0.0149989 -0.0360010 -0.0299602 1.2114183 0.1266133 -0.0245248 0.1453784 1.1870749 12 Rb 1.2468279 0.0000000 0.1317096 0.0000000 1.3040879 0.0000000 0.0757802 0.0000000 1.2873994 13 P 2.9339065 0.0000000 -0.0864054 0.0000000 2.9787979 0.0000000 -0.0325320 0.0000000 2.9196570 14 P 2.9339065 0.0000000 0.0864054 0.0000000 2.9787979 0.0000000 0.0325320 0.0000000 2.9196570 15 P 2.9339065 0.0000000 -0.0864054 0.0000000 2.9787979 0.0000000 -0.0325320 0.0000000 2.9196570 16 P 2.9339065 0.0000000 0.0864054 0.0000000 2.9787979 0.0000000 0.0325320 0.0000000 2.9196570 17 O -1.2986017 -0.0070198 0.0886451 0.0050477 -2.0128829 0.5502664 0.0710295 0.5637089 -1.6162956 18 O -2.2100865 0.0000000 -0.4935598 0.0000000 -1.3538884 0.0000000 -0.4802119 0.0000000 -1.5462247 19 O -1.2986017 -0.0070198 -0.0886451 0.0050477 -2.0128829 -0.5502664 -0.0710295 -0.5637089 -1.6162956 20 O -1.2986017 0.0070198 -0.0886451 -0.0050477 -2.0128829 0.5502664 -0.0710295 0.5637089 -1.6162956 21 O -1.2986017 0.0070198 -0.0886451 -0.0050477 -2.0128829 0.5502664 -0.0710295 0.5637089 -1.6162956 22 O -1.9143757 0.0000000 0.5313637 0.0000000 -1.3260681 0.0000000 0.4997314 0.0000000 -1.8023904 23 O -1.9143757 0.0000000 -0.5313637 0.0000000 -1.3260681 0.0000000 -0.4997314 0.0000000 -1.8023904 24 O -1.9143757 0.0000000 -0.5313637 0.0000000 -1.3260681 0.0000000 -0.4997314 0.0000000 -1.8023904 25 O -1.2986017 0.0070198 0.0886451 -0.0050477 -2.0128829 -0.5502664 0.0710295 -0.5637089 -1.6162956 26 O -1.2986017 0.0070198 0.0886451 -0.0050477 -2.0128829 -0.5502664 0.0710295 -0.5637089 -1.6162956 27 O -1.9143757 0.0000000 0.5313637 0.0000000 -1.3260681 0.0000000 0.4997314 0.0000000 -1.8023904 28 O -1.2986017 -0.0070198 0.0886451 0.0050477 -2.0128829 0.5502664 0.0710295 0.5637089 -1.6162956 29 O -2.2100865 0.0000000 0.4935598 0.0000000 -1.3538884 0.0000000 0.4802119 0.0000000 -1.5462247 30 O -2.2100865 0.0000000 0.4935598 0.0000000 -1.3538884 0.0000000 0.4802119 0.0000000 -1.5462247 31 O -2.2100865 0.0000000 -0.4935598 0.0000000 -1.3538884 0.0000000 -0.4802119 0.0000000 -1.5462247 32 O -1.2986017 -0.0070198 -0.0886451 0.0050477 -2.0128829 -0.5502664 -0.0710295 -0.5637089 -1.6162956 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000003 (xzx) 0.00000003 (xzx) 0.00000003 (xxz) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 4 6 8 ] 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: 0.49, Number of G-points: 301, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 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 1.239 ( 0.000 0.000 0.000) 0.000 1.577 ( 0.000 0.000 0.000) 0.000 1.599 ( 0.000 0.000 0.000) 0.000 1.645 ( 0.000 0.000 0.000) 0.000 1.653 ( 0.000 0.000 0.000) 0.000 1.683 ( 0.000 0.000 0.000) 0.000 1.957 ( 0.000 0.000 0.000) 0.000 1.989 ( 0.000 0.000 0.000) 0.000 1.992 ( 0.000 0.000 0.000) 0.000 1.998 ( 0.000 0.000 0.000) 0.000 2.040 ( 0.000 0.000 0.000) 0.000 2.065 ( 0.000 0.000 0.000) 0.000 2.174 ( 0.000 0.000 0.000) 0.000 2.218 ( 0.000 0.000 0.000) 0.000 2.338 ( 0.000 0.000 0.000) 0.000 2.393 ( 0.000 0.000 0.000) 0.000 2.398 ( 0.000 0.000 0.000) 0.000 2.528 ( 0.000 0.000 0.000) 0.000 2.560 ( 0.000 0.000 0.000) 0.000 2.576 ( 0.000 0.000 0.000) 0.000 2.695 ( 0.000 0.000 0.000) 0.000 2.729 ( 0.000 0.000 0.000) 0.000 2.744 ( 0.000 0.000 0.000) 0.000 2.776 ( 0.000 0.000 0.000) 0.000 2.808 ( 0.000 0.000 0.000) 0.000 2.851 ( 0.000 0.000 0.000) 0.000 2.878 ( 0.000 0.000 0.000) 0.000 2.880 ( 0.000 0.000 0.000) 0.000 2.940 ( 0.000 0.000 0.000) 0.000 2.946 ( 0.000 0.000 0.000) 0.000 2.959 ( 0.000 0.000 0.000) 0.000 3.036 ( 0.000 0.000 0.000) 0.000 3.041 ( 0.000 0.000 0.000) 0.000 3.103 ( 0.000 0.000 0.000) 0.000 3.184 ( 0.000 0.000 0.000) 0.000 3.418 ( 0.000 0.000 0.000) 0.000 3.598 ( 0.000 0.000 0.000) 0.000 3.860 ( 0.000 0.000 0.000) 0.000 4.074 ( 0.000 0.000 0.000) 0.000 4.105 ( 0.000 0.000 0.000) 0.000 4.133 ( 0.000 0.000 0.000) 0.000 4.200 ( 0.000 0.000 0.000) 0.000 4.200 ( 0.000 0.000 0.000) 0.000 4.264 ( 0.000 0.000 0.000) 0.000 4.340 ( 0.000 0.000 0.000) 0.000 4.421 ( 0.000 0.000 0.000) 0.000 4.486 ( 0.000 0.000 0.000) 0.000 4.579 ( 0.000 0.000 0.000) 0.000 4.589 ( 0.000 0.000 0.000) 0.000 4.594 ( 0.000 0.000 0.000) 0.000 4.644 ( 0.000 0.000 0.000) 0.000 4.679 ( 0.000 0.000 0.000) 0.000 4.750 ( 0.000 0.000 0.000) 0.000 5.044 ( 0.000 0.000 0.000) 0.000 5.213 ( 0.000 0.000 0.000) 0.000 5.239 ( 0.000 0.000 0.000) 0.000 5.398 ( 0.000 0.000 0.000) 0.000 11.408 ( 0.000 0.000 0.000) 0.000 11.480 ( 0.000 0.000 0.000) 0.000 11.505 ( 0.000 0.000 0.000) 0.000 11.549 ( 0.000 0.000 0.000) 0.000 11.574 ( 0.000 0.000 0.000) 0.000 11.760 ( 0.000 0.000 0.000) 0.000 11.812 ( 0.000 0.000 0.000) 0.000 11.915 ( 0.000 0.000 0.000) 0.000 15.755 ( 0.000 0.000 0.000) 0.000 15.756 ( 0.000 0.000 0.000) 0.000 15.768 ( 0.000 0.000 0.000) 0.000 15.813 ( 0.000 0.000 0.000) 0.000 15.873 ( 0.000 0.000 0.000) 0.000 15.892 ( 0.000 0.000 0.000) 0.000 15.896 ( 0.000 0.000 0.000) 0.000 15.906 ( 0.000 0.000 0.000) 0.000 15.990 ( 0.000 0.000 0.000) 0.000 16.016 ( 0.000 0.000 0.000) 0.000 16.174 ( 0.000 0.000 0.000) 0.000 16.196 ( 0.000 0.000 0.000) 0.000 26.204 ( 0.000 0.000 0.000) 0.000 26.209 ( 0.000 0.000 0.000) 0.000 26.214 ( 0.000 0.000 0.000) 0.000 26.223 ( 0.000 0.000 0.000) 0.000 28.465 ( 0.000 0.000 0.000) 0.000 28.483 ( 0.000 0.000 0.000) 0.000 28.771 ( 0.000 0.000 0.000) 0.000 28.860 ( 0.000 0.000 0.000) 0.000 28.956 ( 0.000 0.000 0.000) 0.000 29.019 ( 0.000 0.000 0.000) 0.000 29.155 ( 0.000 0.000 0.000) 0.000 29.228 ( 0.000 0.000 0.000) 0.000 29.408 ( 0.000 0.000 0.000) 0.000 29.529 ( 0.000 0.000 0.000) 0.000 29.913 ( 0.000 0.000 0.000) 0.000 29.930 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.478 ( 22.153 0.000 0.000) 22.153 0.516 ( 23.771 0.000 0.000) 23.771 0.828 ( 37.665 0.000 0.000) 37.665 1.243 ( -0.660 0.000 0.000) 0.660 1.362 ( -17.685 0.000 0.000) 17.685 1.461 ( -11.774 0.000 0.000) 11.774 1.505 ( -5.676 0.000 0.000) 5.676 1.699 ( 4.884 0.000 0.000) 4.884 1.804 ( 5.148 0.000 0.000) 5.148 1.934 ( -5.644 0.000 0.000) 5.644 1.940 ( -4.181 0.000 0.000) 4.181 1.989 ( 2.463 0.000 0.000) 2.463 2.026 ( 1.615 0.000 0.000) 1.615 2.046 ( -1.893 0.000 0.000) 1.893 2.127 ( 3.140 0.000 0.000) 3.140 2.172 ( -1.237 0.000 0.000) 1.237 2.174 ( -3.941 0.000 0.000) 3.941 2.308 ( -5.817 0.000 0.000) 5.817 2.343 ( 1.121 0.000 0.000) 1.121 2.463 ( 3.493 0.000 0.000) 3.493 2.529 ( -11.744 0.000 0.000) 11.744 2.539 ( 0.054 0.000 0.000) 0.054 2.550 ( -1.939 0.000 0.000) 1.939 2.643 ( 4.927 0.000 0.000) 4.927 2.721 ( -7.582 0.000 0.000) 7.582 2.750 ( -1.285 0.000 0.000) 1.285 2.768 ( 4.612 0.000 0.000) 4.612 2.831 ( 0.290 0.000 0.000) 0.290 2.852 ( 2.568 0.000 0.000) 2.568 2.886 ( 0.792 0.000 0.000) 0.792 2.910 ( 4.478 0.000 0.000) 4.478 2.914 ( -0.927 0.000 0.000) 0.927 2.924 ( 1.424 0.000 0.000) 1.424 2.983 ( -2.899 0.000 0.000) 2.899 3.012 ( 2.960 0.000 0.000) 2.960 3.071 ( 0.677 0.000 0.000) 0.677 3.188 ( 2.672 0.000 0.000) 2.672 3.311 ( -1.577 0.000 0.000) 1.577 3.603 ( 1.301 0.000 0.000) 1.301 3.627 ( 10.505 0.000 0.000) 10.505 3.972 ( 0.474 0.000 0.000) 0.474 4.084 ( -5.241 0.000 0.000) 5.241 4.095 ( 1.731 0.000 0.000) 1.731 4.122 ( 1.529 0.000 0.000) 1.529 4.166 ( -2.030 0.000 0.000) 2.030 4.230 ( -2.755 0.000 0.000) 2.755 4.233 ( 2.192 0.000 0.000) 2.192 4.357 ( 1.335 0.000 0.000) 1.335 4.409 ( -0.887 0.000 0.000) 0.887 4.470 ( -6.835 0.000 0.000) 6.835 4.506 ( 1.667 0.000 0.000) 1.667 4.602 ( -1.642 0.000 0.000) 1.642 4.688 ( 3.798 0.000 0.000) 3.798 4.721 ( 3.119 0.000 0.000) 3.119 4.767 ( 1.670 0.000 0.000) 1.670 4.983 ( -11.078 0.000 0.000) 11.078 5.030 ( -1.031 0.000 0.000) 1.031 5.149 ( -5.333 0.000 0.000) 5.333 5.713 ( 17.026 0.000 0.000) 17.026 6.262 ( -7.178 0.000 0.000) 7.178 11.408 ( 0.112 0.000 0.000) 0.112 11.450 ( -2.364 0.000 0.000) 2.364 11.527 ( 4.093 0.000 0.000) 4.093 11.605 ( 2.827 0.000 0.000) 2.827 11.644 ( 5.876 0.000 0.000) 5.876 11.725 ( -3.182 0.000 0.000) 3.182 11.774 ( -3.393 0.000 0.000) 3.393 11.878 ( -3.677 0.000 0.000) 3.677 15.748 ( -0.405 0.000 0.000) 0.405 15.753 ( -0.318 0.000 0.000) 0.318 15.813 ( 0.057 0.000 0.000) 0.057 15.841 ( -1.673 0.000 0.000) 1.673 15.875 ( 0.056 0.000 0.000) 0.056 15.877 ( -0.822 0.000 0.000) 0.822 15.953 ( 1.991 0.000 0.000) 1.991 15.979 ( 4.582 0.000 0.000) 4.582 16.009 ( -0.636 0.000 0.000) 0.636 16.143 ( 0.329 0.000 0.000) 0.329 16.164 ( -2.914 0.000 0.000) 2.914 16.167 ( -0.555 0.000 0.000) 0.555 26.203 ( -0.035 0.000 0.000) 0.035 26.207 ( -0.157 0.000 0.000) 0.157 26.217 ( 0.200 0.000 0.000) 0.200 26.223 ( -0.026 0.000 0.000) 0.026 28.541 ( 5.036 0.000 0.000) 5.036 28.755 ( -2.046 0.000 0.000) 2.046 28.847 ( -0.621 0.000 0.000) 0.621 28.905 ( -2.784 0.000 0.000) 2.784 29.032 ( 1.245 0.000 0.000) 1.245 29.107 ( 5.741 0.000 0.000) 5.741 29.154 ( -4.457 0.000 0.000) 4.457 29.427 ( -7.760 0.000 0.000) 7.760 29.527 ( 8.426 0.000 0.000) 8.426 29.870 ( -5.408 0.000 0.000) 5.408 29.984 ( 5.118 0.000 0.000) 5.118 30.159 ( -2.240 0.000 0.000) 2.240 ======================= Grid point 2 (3/60) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( -20.871 0.000 0.000) 20.871 0.940 ( 20.871 0.000 0.000) 20.871 0.999 ( -20.559 0.000 0.000) 20.559 0.999 ( 20.559 0.000 0.000) 20.559 1.385 ( -4.240 0.000 0.000) 4.240 1.385 ( 4.240 0.000 0.000) 4.240 1.576 ( -29.927 0.000 0.000) 29.927 1.576 ( 29.927 0.000 0.000) 29.927 1.825 ( -6.180 0.000 0.000) 6.180 1.825 ( 6.180 0.000 0.000) 6.180 1.920 ( -6.322 0.000 0.000) 6.322 1.920 ( 6.322 0.000 0.000) 6.322 2.035 ( -1.156 0.000 0.000) 1.156 2.035 ( 1.156 0.000 0.000) 1.156 2.109 ( -1.622 0.000 0.000) 1.622 2.109 ( 1.622 0.000 0.000) 1.622 2.200 ( -3.643 0.000 0.000) 3.643 2.200 ( 3.643 0.000 0.000) 3.643 2.439 ( -2.367 0.000 0.000) 2.367 2.439 ( 2.367 0.000 0.000) 2.367 2.512 ( -1.621 0.000 0.000) 1.621 2.512 ( 1.621 0.000 0.000) 1.621 2.557 ( -4.979 0.000 0.000) 4.979 2.557 ( 4.979 0.000 0.000) 4.979 2.719 ( -2.093 0.000 0.000) 2.093 2.719 ( 2.093 0.000 0.000) 2.093 2.837 ( -1.327 0.000 0.000) 1.327 2.837 ( 1.327 0.000 0.000) 1.327 2.894 ( -1.207 0.000 0.000) 1.207 2.894 ( 1.207 0.000 0.000) 1.207 2.922 ( -2.506 0.000 0.000) 2.506 2.922 ( 2.506 0.000 0.000) 2.506 2.956 ( -0.723 0.000 0.000) 0.723 2.956 ( 0.723 0.000 0.000) 0.723 3.063 ( -1.496 0.000 0.000) 1.496 3.063 ( 1.496 0.000 0.000) 1.496 3.260 ( -3.266 0.000 0.000) 3.266 3.260 ( 3.266 0.000 0.000) 3.266 3.694 ( -4.768 0.000 0.000) 4.768 3.694 ( 4.768 0.000 0.000) 4.768 3.983 ( -1.505 0.000 0.000) 1.505 3.983 ( 1.505 0.000 0.000) 1.505 4.131 ( -1.512 0.000 0.000) 1.512 4.131 ( 1.512 0.000 0.000) 1.512 4.168 ( -2.726 0.000 0.000) 2.726 4.168 ( 2.726 0.000 0.000) 2.726 4.321 ( -6.159 0.000 0.000) 6.159 4.321 ( 6.159 0.000 0.000) 6.159 4.386 ( -1.257 0.000 0.000) 1.257 4.386 ( 1.257 0.000 0.000) 1.257 4.550 ( -2.418 0.000 0.000) 2.418 4.550 ( 2.418 0.000 0.000) 2.418 4.758 ( -1.011 0.000 0.000) 1.011 4.758 ( 1.011 0.000 0.000) 1.011 4.828 ( -4.377 0.000 0.000) 4.377 4.828 ( 4.377 0.000 0.000) 4.377 5.039 ( -3.191 0.000 0.000) 3.191 5.039 ( 3.191 0.000 0.000) 3.191 6.041 ( -13.209 0.000 0.000) 13.209 6.041 ( 13.209 0.000 0.000) 13.209 11.417 ( -0.847 0.000 0.000) 0.847 11.417 ( 0.847 0.000 0.000) 0.847 11.633 ( -5.145 0.000 0.000) 5.145 11.633 ( 5.145 0.000 0.000) 5.145 11.685 ( -4.379 0.000 0.000) 4.379 11.685 ( 4.379 0.000 0.000) 4.379 11.773 ( -5.847 0.000 0.000) 5.847 11.773 ( 5.847 0.000 0.000) 5.847 15.745 ( -0.218 0.000 0.000) 0.218 15.745 ( 0.218 0.000 0.000) 0.218 15.819 ( -0.535 0.000 0.000) 0.535 15.819 ( 0.535 0.000 0.000) 0.535 15.872 ( -0.177 0.000 0.000) 0.177 15.872 ( 0.177 0.000 0.000) 0.177 15.989 ( -1.326 0.000 0.000) 1.326 15.989 ( 1.326 0.000 0.000) 1.326 16.080 ( -4.610 0.000 0.000) 4.610 16.080 ( 4.610 0.000 0.000) 4.610 16.154 ( -0.651 0.000 0.000) 0.651 16.154 ( 0.651 0.000 0.000) 0.651 26.204 ( -0.083 0.000 0.000) 0.083 26.204 ( 0.083 0.000 0.000) 0.083 26.221 ( -0.165 0.000 0.000) 0.165 26.221 ( 0.165 0.000 0.000) 0.165 28.667 ( -5.801 0.000 0.000) 5.801 28.667 ( 5.801 0.000 0.000) 5.801 28.857 ( -1.535 0.000 0.000) 1.535 28.857 ( 1.535 0.000 0.000) 1.535 29.075 ( -2.838 0.000 0.000) 2.838 29.075 ( 2.838 0.000 0.000) 2.838 29.253 ( -7.830 0.000 0.000) 7.830 29.253 ( 7.830 0.000 0.000) 7.830 29.715 ( -8.585 0.000 0.000) 8.585 29.715 ( 8.585 0.000 0.000) 8.585 30.089 ( -4.289 0.000 0.000) 4.289 30.089 ( 4.289 0.000 0.000) 4.289 ======================= Grid point 5 (4/60) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.446 ( 0.000 22.072 0.000) 22.072 0.465 ( 0.000 23.147 0.000) 23.147 0.737 ( 0.000 36.286 0.000) 36.286 1.270 ( 0.000 2.824 0.000) 2.824 1.552 ( 0.000 -4.653 0.000) 4.653 1.632 ( 0.000 5.102 0.000) 5.102 1.635 ( 0.000 -2.257 0.000) 2.257 1.659 ( 0.000 -2.836 0.000) 2.836 1.678 ( 0.000 3.301 0.000) 3.301 1.895 ( 0.000 -3.856 0.000) 3.856 1.959 ( 0.000 -6.487 0.000) 6.487 1.988 ( 0.000 -0.778 0.000) 0.778 2.032 ( 0.000 3.833 0.000) 3.833 2.047 ( 0.000 -0.718 0.000) 0.718 2.061 ( 0.000 1.340 0.000) 1.340 2.128 ( 0.000 2.774 0.000) 2.774 2.307 ( 0.000 -7.279 0.000) 7.279 2.323 ( 0.000 -1.590 0.000) 1.590 2.349 ( 0.000 -2.053 0.000) 2.053 2.398 ( 0.000 8.452 0.000) 8.452 2.508 ( 0.000 -2.802 0.000) 2.802 2.548 ( 0.000 -1.664 0.000) 1.664 2.680 ( 0.000 1.680 0.000) 1.680 2.698 ( 0.000 -2.565 0.000) 2.565 2.702 ( 0.000 -0.733 0.000) 0.733 2.722 ( 0.000 1.796 0.000) 1.796 2.782 ( 0.000 -1.859 0.000) 1.859 2.830 ( 0.000 -0.276 0.000) 0.276 2.843 ( 0.000 0.088 0.000) 0.088 2.845 ( 0.000 -3.288 0.000) 3.288 2.914 ( 0.000 4.185 0.000) 4.185 2.956 ( 0.000 -0.127 0.000) 0.127 2.960 ( 0.000 3.092 0.000) 3.092 3.031 ( 0.000 -0.965 0.000) 0.965 3.081 ( 0.000 0.838 0.000) 0.838 3.135 ( 0.000 3.122 0.000) 3.122 3.261 ( 0.000 4.048 0.000) 4.048 3.263 ( 0.000 8.885 0.000) 8.885 3.432 ( 0.000 1.789 0.000) 1.789 3.481 ( 0.000 -11.081 0.000) 11.081 3.887 ( 0.000 2.517 0.000) 2.517 4.049 ( 0.000 -3.651 0.000) 3.651 4.063 ( 0.000 -1.079 0.000) 1.079 4.136 ( 0.000 -5.093 0.000) 5.093 4.187 ( 0.000 -0.565 0.000) 0.565 4.192 ( 0.000 4.239 0.000) 4.239 4.374 ( 0.000 -2.978 0.000) 2.978 4.377 ( 0.000 2.426 0.000) 2.426 4.431 ( 0.000 1.074 0.000) 1.074 4.509 ( 0.000 1.443 0.000) 1.443 4.576 ( 0.000 -0.293 0.000) 0.293 4.587 ( 0.000 0.507 0.000) 0.507 4.605 ( 0.000 1.059 0.000) 1.059 4.709 ( 0.000 4.649 0.000) 4.649 4.735 ( 0.000 -1.431 0.000) 1.431 4.988 ( 0.000 -4.961 0.000) 4.961 5.241 ( 0.000 0.028 0.000) 0.028 5.321 ( 0.000 9.949 0.000) 9.949 5.365 ( 0.000 -3.071 0.000) 3.071 6.196 ( 0.000 -5.210 0.000) 5.210 11.440 ( 0.000 3.179 0.000) 3.179 11.487 ( 0.000 -1.559 0.000) 1.559 11.488 ( 0.000 0.670 0.000) 0.670 11.515 ( 0.000 -2.603 0.000) 2.603 11.568 ( 0.000 -0.595 0.000) 0.595 11.811 ( 0.000 4.169 0.000) 4.169 11.845 ( 0.000 2.871 0.000) 2.871 11.880 ( 0.000 -3.504 0.000) 3.504 15.759 ( 0.000 0.269 0.000) 0.269 15.764 ( 0.000 0.893 0.000) 0.893 15.769 ( 0.000 0.054 0.000) 0.054 15.863 ( 0.000 -2.235 0.000) 2.235 15.881 ( 0.000 0.466 0.000) 0.466 15.882 ( 0.000 -1.159 0.000) 1.159 15.910 ( 0.000 0.339 0.000) 0.339 15.983 ( 0.000 -0.732 0.000) 0.732 16.028 ( 0.000 0.941 0.000) 0.941 16.150 ( 0.000 0.363 0.000) 0.363 16.161 ( 0.000 -1.217 0.000) 1.217 16.193 ( 0.000 -0.292 0.000) 0.292 26.204 ( 0.000 0.030 0.000) 0.030 26.209 ( 0.000 0.015 0.000) 0.015 26.213 ( 0.000 -0.096 0.000) 0.096 26.221 ( 0.000 -0.153 0.000) 0.153 28.465 ( 0.000 0.016 0.000) 0.016 28.481 ( 0.000 -0.167 0.000) 0.167 28.777 ( 0.000 0.770 0.000) 0.770 28.837 ( 0.000 -2.057 0.000) 2.057 28.951 ( 0.000 -0.380 0.000) 0.380 29.111 ( 0.000 -3.826 0.000) 3.826 29.143 ( 0.000 -7.197 0.000) 7.197 29.156 ( 0.000 -13.802 0.000) 13.802 29.788 ( 0.000 14.434 0.000) 14.434 29.998 ( 0.000 6.930 0.000) 6.930 30.006 ( 0.000 7.007 0.000) 7.007 30.558 ( 0.000 -2.525 0.000) 2.525 ======================= Grid point 6 (5/60) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.529 ( 14.628 9.990 0.000) 17.714 0.635 ( 14.958 13.690 0.000) 20.277 1.171 ( 27.411 24.495 0.000) 36.761 1.268 ( -2.907 1.973 0.000) 3.514 1.390 ( -16.537 3.389 0.000) 16.881 1.396 ( -10.242 -4.915 0.000) 11.360 1.551 ( -5.879 3.320 0.000) 6.752 1.690 ( 4.881 -1.718 0.000) 5.175 1.792 ( 5.583 -0.638 0.000) 5.619 1.905 ( 0.168 -4.653 0.000) 4.656 1.943 ( -1.131 -2.114 0.000) 2.398 1.972 ( -4.182 1.425 0.000) 4.418 2.013 ( -1.314 -1.629 0.000) 2.093 2.021 ( -1.466 -1.008 0.000) 1.779 2.100 ( 1.195 -1.398 0.000) 1.840 2.194 ( 3.290 4.946 0.000) 5.941 2.265 ( 0.005 -1.776 0.000) 1.776 2.298 ( -0.142 0.927 0.000) 0.938 2.349 ( 2.210 0.240 0.000) 2.223 2.398 ( -7.114 2.886 0.000) 7.677 2.487 ( -1.710 -3.018 0.000) 3.468 2.598 ( -3.408 2.465 0.000) 4.206 2.599 ( -6.149 2.659 0.000) 6.699 2.683 ( 6.978 0.940 0.000) 7.041 2.686 ( -5.148 -2.083 0.000) 5.553 2.748 ( 2.825 -0.397 0.000) 2.853 2.758 ( 1.022 0.946 0.000) 1.393 2.846 ( 0.552 -2.981 0.000) 3.032 2.866 ( -0.696 -0.723 0.000) 1.004 2.883 ( 2.835 -2.251 0.000) 3.620 2.888 ( -1.559 4.413 0.000) 4.681 2.928 ( 0.761 2.067 0.000) 2.202 2.964 ( 0.297 1.977 0.000) 1.999 2.996 ( -3.055 0.633 0.000) 3.120 3.086 ( 0.773 6.934 0.000) 6.977 3.087 ( 0.624 2.104 0.000) 2.195 3.198 ( 2.140 1.354 0.000) 2.532 3.340 ( 0.210 1.964 0.000) 1.975 3.496 ( 2.540 -9.984 0.000) 10.302 3.613 ( 7.528 -1.255 0.000) 7.632 3.931 ( 2.216 -1.759 0.000) 2.830 4.019 ( -3.837 -4.179 0.000) 5.673 4.050 ( -0.410 -2.415 0.000) 2.449 4.084 ( -2.915 -5.627 0.000) 6.338 4.192 ( 0.058 4.229 0.000) 4.230 4.194 ( 0.475 -0.653 0.000) 0.808 4.307 ( -2.002 3.055 0.000) 3.652 4.388 ( 0.354 2.264 0.000) 2.292 4.461 ( 1.241 -1.411 0.000) 1.879 4.496 ( -0.265 3.676 0.000) 3.685 4.501 ( -4.755 2.224 0.000) 5.249 4.579 ( -1.920 -1.084 0.000) 2.204 4.700 ( 4.533 -1.587 0.000) 4.802 4.755 ( 3.129 4.158 0.000) 5.204 4.758 ( 2.357 -1.231 0.000) 2.659 4.938 ( -5.397 -3.684 0.000) 6.535 5.061 ( -3.458 3.315 0.000) 4.791 5.256 ( -5.689 9.817 0.000) 11.346 5.661 ( 15.917 -5.018 0.000) 16.689 6.158 ( -5.274 -7.949 0.000) 9.539 11.432 ( -0.524 2.320 0.000) 2.378 11.443 ( -1.639 -0.459 0.000) 1.702 11.534 ( 3.938 0.546 0.000) 3.975 11.591 ( 4.107 -3.734 0.000) 5.551 11.630 ( 4.079 1.294 0.000) 4.279 11.781 ( -2.454 4.161 0.000) 4.831 11.811 ( -2.880 3.079 0.000) 4.216 11.847 ( -2.909 -2.931 0.000) 4.129 15.720 ( -0.564 -1.757 0.000) 1.845 15.750 ( -0.927 0.166 0.000) 0.942 15.770 ( -0.798 -0.894 0.000) 1.198 15.803 ( -2.735 -2.639 0.000) 3.800 15.895 ( 1.038 1.100 0.000) 1.512 15.931 ( 0.288 1.329 0.000) 1.360 15.955 ( 3.550 -1.515 0.000) 3.860 15.967 ( 0.157 1.092 0.000) 1.103 16.030 ( 0.552 1.314 0.000) 1.425 16.134 ( -0.351 -0.406 0.000) 0.537 16.155 ( -0.586 -1.195 0.000) 1.331 16.161 ( -2.794 -0.244 0.000) 2.804 26.204 ( -0.022 0.039 0.000) 0.045 26.207 ( -0.144 0.033 0.000) 0.147 26.215 ( 0.181 -0.122 0.000) 0.219 26.221 ( -0.030 -0.162 0.000) 0.165 28.538 ( 4.891 -0.330 0.000) 4.902 28.700 ( 11.940 -11.762 0.000) 16.760 28.753 ( -2.710 -0.292 0.000) 2.726 28.836 ( 0.250 -0.750 0.000) 0.790 28.924 ( -1.811 -0.425 0.000) 1.861 29.037 ( -5.326 -9.523 0.000) 10.911 29.136 ( 2.183 -3.564 0.000) 4.179 29.221 ( 1.105 -10.683 0.000) 10.740 29.773 ( 0.451 14.026 0.000) 14.033 29.954 ( -4.530 7.708 0.000) 8.940 30.068 ( 5.201 6.618 0.000) 8.418 30.360 ( -10.341 8.142 0.000) 13.162 ======================= Grid point 7 (6/60) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( -15.046 -1.730 0.000) 15.145 0.930 ( 15.046 -1.730 0.000) 15.145 1.016 ( -12.820 6.085 0.000) 14.191 1.016 ( 12.820 6.085 0.000) 14.191 1.401 ( -4.960 1.625 0.000) 5.219 1.401 ( 4.960 1.625 0.000) 5.219 1.724 ( -14.288 6.231 0.000) 15.587 1.724 ( 14.288 6.231 0.000) 15.587 1.851 ( -3.190 2.730 0.000) 4.199 1.851 ( 3.190 2.730 0.000) 4.199 1.942 ( -7.566 3.618 0.000) 8.387 1.942 ( 7.566 3.618 0.000) 8.387 1.968 ( -1.912 -4.608 0.000) 4.989 1.968 ( 1.912 -4.608 0.000) 4.989 2.124 ( -4.721 1.240 0.000) 4.881 2.124 ( 4.721 1.240 0.000) 4.881 2.238 ( -1.810 4.245 0.000) 4.615 2.238 ( 1.810 4.245 0.000) 4.615 2.391 ( -4.172 -3.495 0.000) 5.442 2.391 ( 4.172 -3.495 0.000) 5.442 2.494 ( -6.066 0.448 0.000) 6.082 2.494 ( 6.066 0.448 0.000) 6.082 2.581 ( -2.139 0.659 0.000) 2.238 2.581 ( 2.139 0.659 0.000) 2.238 2.774 ( -0.432 3.045 0.000) 3.075 2.774 ( 0.432 3.045 0.000) 3.075 2.808 ( -2.925 -0.355 0.000) 2.946 2.808 ( 2.925 -0.355 0.000) 2.946 2.878 ( -2.375 -3.399 0.000) 4.146 2.878 ( 2.375 -3.399 0.000) 4.146 2.936 ( -1.103 -2.155 0.000) 2.421 2.936 ( 1.103 -2.155 0.000) 2.421 2.960 ( -0.277 3.788 0.000) 3.798 2.960 ( 0.277 3.788 0.000) 3.798 3.102 ( -0.227 4.181 0.000) 4.187 3.102 ( 0.227 4.181 0.000) 4.187 3.284 ( -4.382 1.775 0.000) 4.727 3.284 ( 4.382 1.775 0.000) 4.727 3.618 ( -6.707 -7.460 0.000) 10.032 3.618 ( 6.707 -7.460 0.000) 10.032 3.951 ( -0.418 -2.505 0.000) 2.539 3.951 ( 0.418 -2.505 0.000) 2.539 4.053 ( -0.684 -5.572 0.000) 5.614 4.053 ( 0.684 -5.572 0.000) 5.614 4.197 ( -0.268 2.622 0.000) 2.635 4.197 ( 0.268 2.622 0.000) 2.635 4.333 ( -4.117 2.245 0.000) 4.690 4.333 ( 4.117 2.245 0.000) 4.690 4.461 ( -0.609 3.451 0.000) 3.504 4.461 ( 0.609 3.451 0.000) 3.504 4.524 ( -2.544 -0.691 0.000) 2.636 4.524 ( 2.544 -0.691 0.000) 2.636 4.770 ( -2.078 -0.289 0.000) 2.098 4.770 ( 2.078 -0.289 0.000) 2.098 4.831 ( -4.013 -0.611 0.000) 4.059 4.831 ( 4.013 -0.611 0.000) 4.059 5.112 ( -6.392 7.924 0.000) 10.181 5.112 ( 6.392 7.924 0.000) 10.181 5.967 ( -12.133 -6.941 0.000) 13.978 5.967 ( 12.133 -6.941 0.000) 13.978 11.425 ( -0.118 0.986 0.000) 0.993 11.425 ( 0.118 0.986 0.000) 0.993 11.621 ( -2.676 -1.589 0.000) 3.112 11.621 ( 2.676 -1.589 0.000) 3.112 11.719 ( -3.928 3.024 0.000) 4.957 11.719 ( 3.928 3.024 0.000) 4.957 11.779 ( -2.139 0.552 0.000) 2.209 11.779 ( 2.139 0.552 0.000) 2.209 15.732 ( -0.971 -1.723 0.000) 1.978 15.732 ( 0.971 -1.723 0.000) 1.978 15.762 ( -0.678 -2.478 0.000) 2.569 15.762 ( 0.678 -2.478 0.000) 2.569 15.917 ( -0.957 2.244 0.000) 2.440 15.917 ( 0.957 2.244 0.000) 2.440 15.986 ( -0.528 -0.289 0.000) 0.602 15.986 ( 0.528 -0.289 0.000) 0.602 16.083 ( -3.942 0.239 0.000) 3.949 16.083 ( 3.942 0.239 0.000) 3.949 16.140 ( -0.622 -1.093 0.000) 1.257 16.140 ( 0.622 -1.093 0.000) 1.257 26.204 ( -0.082 0.051 0.000) 0.096 26.204 ( 0.082 0.051 0.000) 0.096 26.219 ( -0.154 -0.156 0.000) 0.220 26.219 ( 0.154 -0.156 0.000) 0.220 28.659 ( -5.674 -0.671 0.000) 5.713 28.659 ( 5.674 -0.671 0.000) 5.713 28.844 ( -0.828 -2.466 0.000) 2.602 28.844 ( 0.828 -2.466 0.000) 2.602 28.928 ( -4.064 -8.177 0.000) 9.131 28.928 ( 4.064 -8.177 0.000) 9.131 29.195 ( -2.817 -6.192 0.000) 6.802 29.195 ( 2.817 -6.192 0.000) 6.802 29.840 ( -5.209 10.377 0.000) 11.611 29.840 ( 5.209 10.377 0.000) 11.611 30.191 ( -6.335 7.073 0.000) 9.495 30.191 ( 6.335 7.073 0.000) 9.495 ======================= Grid point 10 (7/60) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( 0.000 19.561 0.000) 19.561 0.903 ( 0.000 20.992 0.000) 20.992 1.335 ( 0.000 3.450 0.000) 3.450 1.400 ( 0.000 27.946 0.000) 27.946 1.429 ( 0.000 -7.901 0.000) 7.901 1.538 ( 0.000 -7.354 0.000) 7.354 1.553 ( 0.000 -6.207 0.000) 6.207 1.752 ( 0.000 6.668 0.000) 6.668 1.772 ( 0.000 5.813 0.000) 5.813 1.833 ( 0.000 -2.383 0.000) 2.383 1.840 ( 0.000 -3.785 0.000) 3.785 1.961 ( 0.000 -2.355 0.000) 2.355 2.041 ( 0.000 -5.219 0.000) 5.219 2.072 ( 0.000 1.342 0.000) 1.342 2.101 ( 0.000 1.147 0.000) 1.147 2.113 ( 0.000 -2.489 0.000) 2.489 2.203 ( 0.000 -0.651 0.000) 0.651 2.274 ( 0.000 -2.928 0.000) 2.928 2.392 ( 0.000 5.085 0.000) 5.085 2.437 ( 0.000 -3.751 0.000) 3.751 2.475 ( 0.000 -5.675 0.000) 5.675 2.487 ( 0.000 1.049 0.000) 1.049 2.653 ( 0.000 -2.118 0.000) 2.118 2.696 ( 0.000 -3.533 0.000) 3.533 2.704 ( 0.000 0.419 0.000) 0.419 2.771 ( 0.000 4.807 0.000) 4.807 2.771 ( 0.000 -3.577 0.000) 3.577 2.777 ( 0.000 4.610 0.000) 4.610 2.817 ( 0.000 -0.014 0.000) 0.014 2.873 ( 0.000 2.623 0.000) 2.623 2.946 ( 0.000 -1.227 0.000) 1.227 2.952 ( 0.000 -1.841 0.000) 1.841 3.020 ( 0.000 -0.099 0.000) 0.099 3.052 ( 0.000 3.639 0.000) 3.639 3.070 ( 0.000 0.489 0.000) 0.489 3.155 ( 0.000 -8.716 0.000) 8.716 3.276 ( 0.000 -0.952 0.000) 0.952 3.330 ( 0.000 2.190 0.000) 2.190 3.469 ( 0.000 9.868 0.000) 9.868 3.504 ( 0.000 5.335 0.000) 5.335 3.943 ( 0.000 2.820 0.000) 2.820 3.978 ( 0.000 -3.313 0.000) 3.313 4.027 ( 0.000 -5.652 0.000) 5.652 4.033 ( 0.000 -1.818 0.000) 1.818 4.196 ( 0.000 1.573 0.000) 1.573 4.287 ( 0.000 5.045 0.000) 5.045 4.310 ( 0.000 -3.399 0.000) 3.399 4.408 ( 0.000 0.289 0.000) 0.289 4.462 ( 0.000 1.940 0.000) 1.940 4.524 ( 0.000 -0.179 0.000) 0.179 4.578 ( 0.000 0.272 0.000) 0.272 4.587 ( 0.000 -0.478 0.000) 0.478 4.632 ( 0.000 1.554 0.000) 1.554 4.700 ( 0.000 -1.918 0.000) 1.918 4.787 ( 0.000 2.847 0.000) 2.847 4.887 ( 0.000 -4.411 0.000) 4.411 5.239 ( 0.000 -0.027 0.000) 0.027 5.296 ( 0.000 -3.368 0.000) 3.368 5.560 ( 0.000 13.378 0.000) 13.378 6.047 ( 0.000 -9.724 0.000) 9.724 11.457 ( 0.000 -1.179 0.000) 1.179 11.469 ( 0.000 -1.863 0.000) 1.863 11.504 ( 0.000 1.262 0.000) 1.262 11.531 ( 0.000 5.507 0.000) 5.507 11.551 ( 0.000 -1.040 0.000) 1.040 11.784 ( 0.000 -5.978 0.000) 5.978 11.890 ( 0.000 3.323 0.000) 3.323 11.903 ( 0.000 2.491 0.000) 2.491 15.765 ( 0.000 0.296 0.000) 0.296 15.770 ( 0.000 0.024 0.000) 0.024 15.782 ( 0.000 0.653 0.000) 0.653 15.817 ( 0.000 -1.984 0.000) 1.984 15.865 ( 0.000 -0.163 0.000) 0.163 15.888 ( 0.000 -0.041 0.000) 0.041 15.920 ( 0.000 0.780 0.000) 0.780 15.963 ( 0.000 -1.165 0.000) 1.165 16.051 ( 0.000 1.458 0.000) 1.458 16.129 ( 0.000 -2.018 0.000) 2.018 16.160 ( 0.000 0.604 0.000) 0.604 16.185 ( 0.000 -0.536 0.000) 0.536 26.205 ( 0.000 0.088 0.000) 0.088 26.210 ( 0.000 0.104 0.000) 0.104 26.211 ( 0.000 -0.150 0.000) 0.150 26.217 ( 0.000 -0.231 0.000) 0.231 28.466 ( 0.000 0.129 0.000) 0.129 28.477 ( 0.000 -0.301 0.000) 0.301 28.799 ( 0.000 -1.224 0.000) 1.224 28.806 ( 0.000 2.333 0.000) 2.333 28.929 ( 0.000 -8.789 0.000) 8.789 28.948 ( 0.000 0.303 0.000) 0.303 28.995 ( 0.000 -7.065 0.000) 7.065 29.030 ( 0.000 -3.878 0.000) 3.878 30.028 ( 0.000 9.374 0.000) 9.374 30.121 ( 0.000 4.370 0.000) 4.370 30.173 ( 0.000 9.226 0.000) 9.226 30.481 ( 0.000 -5.360 0.000) 5.360 ======================= Grid point 11 (8/60) ======================= q-point: ( 0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( 0.471 19.603 0.000) 19.608 0.940 ( 7.289 15.932 0.000) 17.520 1.283 ( -11.508 -1.014 0.000) 11.553 1.337 ( 0.710 -0.282 0.000) 0.764 1.446 ( -9.382 -2.240 0.000) 9.646 1.572 ( -8.616 5.137 0.000) 10.032 1.586 ( 4.228 -9.136 0.000) 10.066 1.615 ( 8.244 11.893 0.000) 14.471 1.830 ( -0.181 -2.100 0.000) 2.108 1.854 ( 8.664 7.335 0.000) 11.352 1.870 ( 1.627 -3.597 0.000) 3.948 1.931 ( -6.430 -5.495 0.000) 8.458 1.939 ( -0.677 -1.404 0.000) 1.559 2.053 ( -0.399 2.840 0.000) 2.868 2.135 ( 1.002 3.925 0.000) 4.051 2.187 ( 5.483 -3.853 0.000) 6.701 2.282 ( 4.738 2.611 0.000) 5.409 2.346 ( 4.750 -0.747 0.000) 4.808 2.359 ( -1.470 6.259 0.000) 6.429 2.426 ( -0.123 -2.541 0.000) 2.544 2.486 ( -2.292 1.866 0.000) 2.955 2.594 ( 6.048 -5.435 0.000) 8.131 2.624 ( -2.620 0.141 0.000) 2.624 2.651 ( -3.738 -1.819 0.000) 4.157 2.699 ( -1.334 3.774 0.000) 4.003 2.740 ( 2.071 -0.743 0.000) 2.200 2.793 ( 2.080 -2.857 0.000) 3.534 2.812 ( 1.274 4.331 0.000) 4.514 2.823 ( 0.070 -1.554 0.000) 1.555 2.852 ( -1.220 -0.332 0.000) 1.264 2.929 ( -1.898 -1.912 0.000) 2.694 2.991 ( 2.477 0.925 0.000) 2.644 3.001 ( -4.103 2.132 0.000) 4.624 3.028 ( -1.272 5.202 0.000) 5.356 3.129 ( 3.697 1.215 0.000) 3.892 3.209 ( 4.627 -9.609 0.000) 10.665 3.241 ( -1.426 3.695 0.000) 3.961 3.273 ( -5.079 6.784 0.000) 8.475 3.396 ( 2.538 -0.109 0.000) 2.540 3.573 ( -1.986 -3.519 0.000) 4.041 3.928 ( -0.906 1.007 0.000) 1.354 3.940 ( -3.476 -3.131 0.000) 4.678 3.984 ( -1.753 -4.073 0.000) 4.434 4.002 ( -2.543 -2.419 0.000) 3.509 4.212 ( 1.687 2.289 0.000) 2.844 4.292 ( -0.031 5.745 0.000) 5.745 4.331 ( 1.985 -1.535 0.000) 2.509 4.428 ( 1.124 1.257 0.000) 1.687 4.447 ( -0.394 1.877 0.000) 1.918 4.520 ( -4.959 -0.189 0.000) 4.963 4.545 ( 0.685 0.092 0.000) 0.691 4.566 ( -1.349 -0.958 0.000) 1.654 4.677 ( 3.579 -0.233 0.000) 3.586 4.725 ( 2.425 -1.850 0.000) 3.050 4.799 ( -0.357 0.627 0.000) 0.721 4.860 ( -2.451 -3.645 0.000) 4.392 5.178 ( 2.656 8.203 0.000) 8.622 5.491 ( -6.093 13.191 0.000) 14.530 5.529 ( 13.095 -8.024 0.000) 15.358 5.979 ( -6.191 -10.323 0.000) 12.037 11.442 ( 0.004 0.532 0.000) 0.532 11.492 ( -1.684 3.393 0.000) 3.787 11.520 ( 3.086 -3.265 0.000) 4.493 11.545 ( 2.905 0.449 0.000) 2.940 11.647 ( 6.130 0.830 0.000) 6.186 11.771 ( -0.742 -4.531 0.000) 4.591 11.858 ( -2.943 3.084 0.000) 4.263 11.869 ( -3.033 2.366 0.000) 3.847 15.713 ( -2.454 0.659 0.000) 2.541 15.750 ( -2.346 -0.325 0.000) 2.368 15.754 ( -1.539 -0.907 0.000) 1.787 15.760 ( -2.830 -1.418 0.000) 3.166 15.910 ( 2.269 0.510 0.000) 2.326 15.933 ( 3.105 -0.690 0.000) 3.181 15.947 ( 1.402 0.718 0.000) 1.575 15.975 ( 0.627 -0.303 0.000) 0.696 16.056 ( 0.639 1.436 0.000) 1.572 16.125 ( -0.344 -1.760 0.000) 1.794 16.134 ( -1.616 0.346 0.000) 1.653 16.154 ( -2.599 -0.479 0.000) 2.642 26.205 ( 0.009 0.121 0.000) 0.121 26.208 ( -0.110 0.133 0.000) 0.173 26.212 ( 0.130 -0.193 0.000) 0.233 26.217 ( -0.044 -0.251 0.000) 0.255 28.531 ( 4.739 -0.225 0.000) 4.744 28.569 ( 7.684 -3.224 0.000) 8.333 28.744 ( -3.562 -0.329 0.000) 3.577 28.833 ( -0.705 -0.735 0.000) 1.018 28.870 ( -2.320 -4.823 0.000) 5.352 28.928 ( -1.577 0.901 0.000) 1.816 29.037 ( 2.004 -7.976 0.000) 8.224 29.044 ( 0.975 -4.796 0.000) 4.894 30.017 ( 0.083 10.234 0.000) 10.235 30.132 ( -3.483 9.483 0.000) 10.103 30.173 ( 3.977 2.885 0.000) 4.913 30.403 ( -5.965 -2.347 0.000) 6.410 ======================= Grid point 12 (9/60) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( -10.258 7.996 0.000) 13.006 0.990 ( 10.258 7.996 0.000) 13.006 1.187 ( -11.566 9.503 0.000) 14.970 1.187 ( 11.566 9.503 0.000) 14.970 1.403 ( -5.537 -2.086 0.000) 5.917 1.403 ( 5.537 -2.086 0.000) 5.917 1.687 ( -3.513 -8.113 0.000) 8.841 1.687 ( 3.513 -8.113 0.000) 8.841 1.813 ( -0.186 -2.314 0.000) 2.321 1.813 ( 0.186 -2.314 0.000) 2.321 1.895 ( -1.146 -3.527 0.000) 3.709 1.895 ( 1.146 -3.527 0.000) 3.709 2.083 ( -1.754 6.359 0.000) 6.597 2.083 ( 1.754 6.359 0.000) 6.597 2.238 ( -10.026 4.948 0.000) 11.181 2.238 ( 10.026 4.948 0.000) 11.181 2.339 ( -1.455 5.211 0.000) 5.411 2.339 ( 1.455 5.211 0.000) 5.411 2.356 ( -0.653 2.823 0.000) 2.897 2.356 ( 0.653 2.823 0.000) 2.897 2.522 ( -6.834 2.371 0.000) 7.234 2.522 ( 6.834 2.371 0.000) 7.234 2.597 ( -0.073 1.048 0.000) 1.050 2.597 ( 0.073 1.048 0.000) 1.050 2.782 ( -3.057 1.199 0.000) 3.284 2.782 ( 3.057 1.199 0.000) 3.284 2.798 ( -2.259 -3.434 0.000) 4.110 2.798 ( 2.259 -3.434 0.000) 4.110 2.861 ( -3.039 -2.096 0.000) 3.692 2.861 ( 3.039 -2.096 0.000) 3.692 2.878 ( -5.435 0.813 0.000) 5.495 2.878 ( 5.435 0.813 0.000) 5.495 3.022 ( -0.342 2.383 0.000) 2.407 3.022 ( 0.342 2.383 0.000) 2.407 3.200 ( -2.616 2.670 0.000) 3.738 3.200 ( 2.616 2.670 0.000) 3.738 3.290 ( -0.796 -1.132 0.000) 1.384 3.290 ( 0.796 -1.132 0.000) 1.384 3.449 ( -5.915 -7.132 0.000) 9.265 3.449 ( 5.915 -7.132 0.000) 9.265 3.913 ( -0.769 -1.006 0.000) 1.266 3.913 ( 0.769 -1.006 0.000) 1.266 3.962 ( -0.068 -3.470 0.000) 3.470 3.962 ( 0.068 -3.470 0.000) 3.470 4.265 ( -2.543 4.172 0.000) 4.886 4.265 ( 2.543 4.172 0.000) 4.886 4.396 ( -4.113 2.538 0.000) 4.833 4.396 ( 4.113 2.538 0.000) 4.833 4.450 ( -0.519 -1.139 0.000) 1.252 4.450 ( 0.519 -1.139 0.000) 1.252 4.550 ( -0.141 0.266 0.000) 0.301 4.550 ( 0.141 0.266 0.000) 0.301 4.754 ( -3.286 -0.696 0.000) 3.359 4.754 ( 3.286 -0.696 0.000) 3.359 4.794 ( -3.509 -2.432 0.000) 4.270 4.794 ( 3.509 -2.432 0.000) 4.270 5.323 ( -8.790 12.325 0.000) 15.139 5.323 ( 8.790 12.325 0.000) 15.139 5.793 ( -10.962 -10.320 0.000) 15.056 5.793 ( 10.962 -10.320 0.000) 15.056 11.458 ( -1.332 2.296 0.000) 2.654 11.458 ( 1.332 2.296 0.000) 2.654 11.574 ( -1.129 -2.968 0.000) 3.175 11.574 ( 1.129 -2.968 0.000) 3.175 11.773 ( -5.101 1.998 0.000) 5.479 11.773 ( 5.101 1.998 0.000) 5.479 11.791 ( -3.166 0.552 0.000) 3.214 11.791 ( 3.166 0.552 0.000) 3.214 15.700 ( -1.294 -0.611 0.000) 1.431 15.700 ( 1.294 -0.611 0.000) 1.431 15.733 ( -0.031 -1.234 0.000) 1.235 15.733 ( 0.031 -1.234 0.000) 1.235 15.949 ( -1.185 1.184 0.000) 1.675 15.949 ( 1.185 1.184 0.000) 1.675 15.979 ( -0.681 -0.417 0.000) 0.799 15.979 ( 0.681 -0.417 0.000) 0.799 16.090 ( -2.623 0.449 0.000) 2.661 16.090 ( 2.623 0.449 0.000) 2.661 16.119 ( -0.029 -1.021 0.000) 1.021 16.119 ( 0.029 -1.021 0.000) 1.021 26.206 ( -0.083 0.154 0.000) 0.175 26.206 ( 0.083 0.154 0.000) 0.175 26.215 ( -0.127 -0.249 0.000) 0.279 26.215 ( 0.127 -0.249 0.000) 0.279 28.647 ( -5.399 -0.320 0.000) 5.408 28.647 ( 5.399 -0.320 0.000) 5.408 28.730 ( -6.678 -5.582 0.000) 8.704 28.730 ( 6.678 -5.582 0.000) 8.704 28.890 ( -1.846 1.377 0.000) 2.303 28.890 ( 1.846 1.377 0.000) 2.303 29.058 ( -0.043 -6.745 0.000) 6.746 29.058 ( 0.043 -6.745 0.000) 6.746 30.053 ( -3.164 10.238 0.000) 10.716 30.053 ( 3.164 10.238 0.000) 10.716 30.275 ( -5.542 0.676 0.000) 5.584 30.275 ( 5.543 0.676 0.000) 5.584 ======================= Grid point 15 (10/60) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( 0.000 -15.018 0.000) 15.018 1.205 ( 0.000 15.018 0.000) 15.018 1.278 ( 0.000 -16.494 0.000) 16.494 1.278 ( 0.000 16.494 0.000) 16.494 1.411 ( 0.000 -4.718 0.000) 4.718 1.411 ( 0.000 4.718 0.000) 4.718 1.807 ( 0.000 -0.039 0.000) 0.039 1.807 ( 0.000 0.039 0.000) 0.039 1.871 ( 0.000 -0.170 0.000) 0.170 1.871 ( 0.000 0.170 0.000) 0.170 1.894 ( 0.000 -6.977 0.000) 6.977 1.894 ( 0.000 6.977 0.000) 6.977 1.948 ( 0.000 -13.326 0.000) 13.326 1.948 ( 0.000 13.326 0.000) 13.326 2.085 ( 0.000 -0.468 0.000) 0.468 2.085 ( 0.000 0.468 0.000) 0.468 2.241 ( 0.000 -2.007 0.000) 2.007 2.241 ( 0.000 2.007 0.000) 2.007 2.390 ( 0.000 -0.462 0.000) 0.462 2.390 ( 0.000 0.462 0.000) 0.462 2.478 ( 0.000 -2.427 0.000) 2.427 2.478 ( 0.000 2.427 0.000) 2.427 2.633 ( 0.000 -1.162 0.000) 1.162 2.633 ( 0.000 1.162 0.000) 1.162 2.719 ( 0.000 -1.548 0.000) 1.548 2.719 ( 0.000 1.548 0.000) 1.548 2.835 ( 0.000 -0.633 0.000) 0.633 2.835 ( 0.000 0.633 0.000) 0.633 2.894 ( 0.000 -5.242 0.000) 5.242 2.894 ( 0.000 5.242 0.000) 5.242 2.947 ( 0.000 -6.779 0.000) 6.779 2.947 ( 0.000 6.779 0.000) 6.779 2.953 ( 0.000 -3.838 0.000) 3.838 2.953 ( 0.000 3.838 0.000) 3.838 3.095 ( 0.000 -0.049 0.000) 0.049 3.095 ( 0.000 0.049 0.000) 0.049 3.330 ( 0.000 -2.218 0.000) 2.218 3.330 ( 0.000 2.218 0.000) 2.218 3.581 ( 0.000 -0.084 0.000) 0.084 3.581 ( 0.000 0.084 0.000) 0.084 3.945 ( 0.000 -1.258 0.000) 1.258 3.945 ( 0.000 1.258 0.000) 1.258 3.993 ( 0.000 -2.241 0.000) 2.241 3.993 ( 0.000 2.241 0.000) 2.241 4.245 ( 0.000 -3.077 0.000) 3.077 4.245 ( 0.000 3.077 0.000) 3.077 4.376 ( 0.000 -3.486 0.000) 3.486 4.376 ( 0.000 3.486 0.000) 3.486 4.502 ( 0.000 -1.853 0.000) 1.853 4.502 ( 0.000 1.853 0.000) 1.853 4.581 ( 0.000 -0.071 0.000) 0.071 4.581 ( 0.000 0.071 0.000) 0.071 4.664 ( 0.000 -1.672 0.000) 1.672 4.664 ( 0.000 1.672 0.000) 1.672 4.828 ( 0.000 -1.888 0.000) 1.888 4.828 ( 0.000 1.888 0.000) 1.888 5.249 ( 0.000 -1.275 0.000) 1.275 5.249 ( 0.000 1.275 0.000) 1.275 5.822 ( 0.000 -12.745 0.000) 12.745 5.822 ( 0.000 12.745 0.000) 12.745 11.447 ( 0.000 -0.263 0.000) 0.263 11.447 ( 0.000 0.263 0.000) 0.263 11.528 ( 0.000 -1.230 0.000) 1.230 11.528 ( 0.000 1.230 0.000) 1.230 11.655 ( 0.000 -6.737 0.000) 6.737 11.655 ( 0.000 6.737 0.000) 6.737 11.927 ( 0.000 -0.272 0.000) 0.272 11.927 ( 0.000 0.272 0.000) 0.272 15.769 ( 0.000 -0.125 0.000) 0.125 15.769 ( 0.000 0.125 0.000) 0.125 15.791 ( 0.000 -0.654 0.000) 0.654 15.791 ( 0.000 0.654 0.000) 0.654 15.877 ( 0.000 -0.948 0.000) 0.948 15.877 ( 0.000 0.948 0.000) 0.948 15.940 ( 0.000 -1.153 0.000) 1.153 15.940 ( 0.000 1.153 0.000) 1.153 16.087 ( 0.000 -2.110 0.000) 2.110 16.087 ( 0.000 2.110 0.000) 2.110 16.173 ( 0.000 -0.660 0.000) 0.660 16.173 ( 0.000 0.660 0.000) 0.660 26.208 ( 0.000 -0.143 0.000) 0.143 26.208 ( 0.000 0.143 0.000) 0.143 26.213 ( 0.000 -0.205 0.000) 0.205 26.213 ( 0.000 0.205 0.000) 0.205 28.470 ( 0.000 -0.284 0.000) 0.284 28.470 ( 0.000 0.284 0.000) 0.284 28.811 ( 0.000 -2.896 0.000) 2.896 28.811 ( 0.000 2.896 0.000) 2.896 28.878 ( 0.000 -4.656 0.000) 4.656 28.878 ( 0.000 4.656 0.000) 4.656 28.970 ( 0.000 -2.073 0.000) 2.073 28.970 ( 0.000 2.073 0.000) 2.073 30.144 ( 0.000 -2.290 0.000) 2.290 30.144 ( 0.000 2.290 0.000) 2.290 30.347 ( 0.000 -8.039 0.000) 8.039 30.347 ( 0.000 8.039 0.000) 8.039 ======================= Grid point 17 (11/60) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( -0.398 -8.904 0.000) 8.913 1.206 ( -0.398 8.904 0.000) 8.913 1.226 ( -3.341 -16.813 0.000) 17.142 1.226 ( -3.341 16.813 0.000) 17.142 1.394 ( 0.179 -7.380 0.000) 7.382 1.394 ( 0.179 7.380 0.000) 7.382 1.693 ( -11.071 -5.584 0.000) 12.399 1.693 ( -11.071 5.584 0.000) 12.399 1.822 ( 0.679 -1.145 0.000) 1.331 1.822 ( 0.679 1.145 0.000) 1.331 1.844 ( -1.666 -3.196 0.000) 3.604 1.844 ( -1.666 3.196 0.000) 3.604 2.115 ( 3.070 -3.386 0.000) 4.571 2.115 ( 3.070 3.386 0.000) 4.571 2.142 ( 9.380 -7.314 0.000) 11.894 2.142 ( 9.380 7.314 0.000) 11.894 2.320 ( 3.798 -1.094 0.000) 3.952 2.320 ( 3.798 1.094 0.000) 3.952 2.446 ( 6.874 -6.262 0.000) 9.299 2.446 ( 6.874 6.262 0.000) 9.299 2.466 ( -1.043 -3.787 0.000) 3.928 2.466 ( -1.043 3.787 0.000) 3.928 2.623 ( -1.074 -0.781 0.000) 1.328 2.623 ( -1.074 0.781 0.000) 1.328 2.744 ( 2.061 -1.418 0.000) 2.502 2.744 ( 2.061 1.418 0.000) 2.502 2.804 ( -3.502 -5.321 0.000) 6.370 2.804 ( -3.502 5.321 0.000) 6.370 2.829 ( -1.351 -2.020 0.000) 2.430 2.829 ( -1.351 2.020 0.000) 2.430 2.961 ( -0.134 -4.146 0.000) 4.148 2.961 ( -0.134 4.146 0.000) 4.148 3.025 ( 3.602 -4.178 0.000) 5.516 3.025 ( 3.602 4.178 0.000) 5.516 3.122 ( 1.829 -2.424 0.000) 3.037 3.122 ( 1.829 2.424 0.000) 3.037 3.357 ( 1.491 -4.244 0.000) 4.498 3.357 ( 1.491 4.244 0.000) 4.498 3.444 ( -9.884 -9.129 0.000) 13.455 3.444 ( -9.884 9.129 0.000) 13.455 3.926 ( -1.212 -1.587 0.000) 1.997 3.926 ( -1.212 1.587 0.000) 1.997 3.958 ( -2.688 -1.920 0.000) 3.303 3.958 ( -2.688 1.920 0.000) 3.303 4.272 ( 2.663 -3.516 0.000) 4.410 4.272 ( 2.663 3.516 0.000) 4.410 4.401 ( 0.716 -4.343 0.000) 4.401 4.401 ( 0.716 4.343 0.000) 4.401 4.508 ( 0.287 -3.174 0.000) 3.187 4.508 ( 0.287 3.174 0.000) 3.187 4.532 ( -3.111 -1.742 0.000) 3.566 4.532 ( -3.111 1.742 0.000) 3.566 4.692 ( 2.506 -1.395 0.000) 2.868 4.692 ( 2.506 1.395 0.000) 2.868 4.812 ( -1.686 -1.262 0.000) 2.106 4.812 ( -1.686 1.262 0.000) 2.106 5.356 ( 8.839 -9.267 0.000) 12.806 5.356 ( 8.839 9.267 0.000) 12.806 5.751 ( -6.395 -12.670 0.000) 14.192 5.751 ( -6.395 12.670 0.000) 14.192 11.467 ( 1.737 -1.999 0.000) 2.648 11.467 ( 1.737 1.999 0.000) 2.648 11.542 ( -0.011 -1.204 0.000) 1.204 11.542 ( -0.011 1.204 0.000) 1.204 11.686 ( 3.594 -3.481 0.000) 5.003 11.686 ( 3.594 3.481 0.000) 5.003 11.892 ( -3.269 -0.269 0.000) 3.280 11.892 ( -3.269 0.269 0.000) 3.280 15.733 ( -2.301 -1.147 0.000) 2.571 15.733 ( -2.301 1.147 0.000) 2.571 15.746 ( -2.741 -0.223 0.000) 2.750 15.746 ( -2.741 0.223 0.000) 2.750 15.921 ( 2.791 -0.626 0.000) 2.860 15.921 ( 2.791 0.626 0.000) 2.860 15.962 ( 1.300 -0.788 0.000) 1.520 15.962 ( 1.300 0.788 0.000) 1.520 16.089 ( 0.209 -1.811 0.000) 1.823 16.089 ( 0.209 1.811 0.000) 1.823 16.143 ( -2.275 -0.569 0.000) 2.345 16.143 ( -2.275 0.569 0.000) 2.345 26.208 ( 0.065 -0.189 0.000) 0.200 26.208 ( 0.065 0.189 0.000) 0.200 26.212 ( -0.073 -0.234 0.000) 0.245 26.212 ( -0.073 0.234 0.000) 0.245 28.535 ( 5.289 -0.721 0.000) 5.338 28.535 ( 5.289 0.721 0.000) 5.338 28.761 ( -3.834 -2.537 0.000) 4.597 28.761 ( -3.834 2.537 0.000) 4.597 28.910 ( 1.998 -4.834 0.000) 5.230 28.910 ( 1.998 4.834 0.000) 5.230 28.965 ( -0.485 -2.974 0.000) 3.013 28.965 ( -0.485 2.974 0.000) 3.013 30.162 ( 1.681 -4.079 0.000) 4.411 30.162 ( 1.681 4.079 0.000) 4.411 30.302 ( -3.699 -7.340 0.000) 8.219 30.302 ( -3.699 7.340 0.000) 8.219 ======================= Grid point 19 (12/60) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( -0.183 -9.706 0.000) 9.707 1.189 ( 0.183 -9.706 0.000) 9.707 1.189 ( -0.183 9.706 0.000) 9.707 1.189 ( 0.183 9.706 0.000) 9.707 1.479 ( -7.786 -10.862 0.000) 13.364 1.479 ( 7.786 -10.862 0.000) 13.364 1.479 ( -7.786 10.862 0.000) 13.364 1.479 ( 7.786 10.862 0.000) 13.364 1.827 ( -0.157 -2.799 0.000) 2.803 1.827 ( 0.157 -2.799 0.000) 2.803 1.827 ( -0.157 2.799 0.000) 2.803 1.827 ( 0.157 2.799 0.000) 2.803 2.195 ( -3.049 -4.990 0.000) 5.848 2.195 ( 3.049 -4.990 0.000) 5.848 2.195 ( -3.049 4.990 0.000) 5.848 2.195 ( 3.049 4.990 0.000) 5.848 2.415 ( -4.310 -1.224 0.000) 4.480 2.415 ( -4.310 1.224 0.000) 4.480 2.415 ( 4.310 -1.224 0.000) 4.480 2.415 ( 4.310 1.224 0.000) 4.480 2.587 ( -3.002 -2.968 0.000) 4.222 2.587 ( 3.002 -2.968 0.000) 4.222 2.587 ( -3.002 2.968 0.000) 4.222 2.587 ( 3.002 2.968 0.000) 4.222 2.780 ( -2.582 -2.194 0.000) 3.388 2.780 ( 2.582 -2.194 0.000) 3.388 2.780 ( -2.582 2.194 0.000) 3.388 2.780 ( 2.582 2.194 0.000) 3.388 2.870 ( -8.082 -4.160 0.000) 9.090 2.870 ( 8.082 -4.160 0.000) 9.090 2.870 ( -8.082 4.160 0.000) 9.090 2.870 ( 8.082 4.160 0.000) 9.090 3.092 ( -3.277 -6.493 0.000) 7.274 3.092 ( 3.277 -6.493 0.000) 7.274 3.092 ( -3.277 6.493 0.000) 7.274 3.092 ( 3.277 6.493 0.000) 7.274 3.355 ( -1.177 -4.382 0.000) 4.538 3.355 ( 1.177 -4.382 0.000) 4.538 3.355 ( -1.177 4.382 0.000) 4.538 3.355 ( 1.177 4.382 0.000) 4.538 3.915 ( -0.695 -1.263 0.000) 1.442 3.915 ( 0.695 -1.263 0.000) 1.442 3.915 ( -0.695 1.263 0.000) 1.442 3.915 ( 0.695 1.263 0.000) 1.442 4.352 ( -4.269 -4.331 0.000) 6.081 4.352 ( 4.269 -4.331 0.000) 6.081 4.352 ( -4.269 4.331 0.000) 6.081 4.352 ( 4.269 4.331 0.000) 6.081 4.507 ( -0.211 -3.916 0.000) 3.922 4.507 ( 0.211 -3.916 0.000) 3.922 4.507 ( -0.211 3.916 0.000) 3.922 4.507 ( 0.211 3.916 0.000) 3.922 4.757 ( -3.169 -1.059 0.000) 3.341 4.757 ( -3.169 1.059 0.000) 3.341 4.757 ( 3.169 -1.059 0.000) 3.341 4.757 ( 3.169 1.059 0.000) 3.341 5.569 ( -10.025 -12.170 0.000) 15.767 5.569 ( 10.025 -12.170 0.000) 15.767 5.569 ( -10.025 12.170 0.000) 15.767 5.569 ( 10.025 12.170 0.000) 15.767 11.512 ( -2.204 -3.092 0.000) 3.797 11.512 ( 2.204 -3.092 0.000) 3.797 11.512 ( -2.204 3.092 0.000) 3.797 11.512 ( 2.204 3.092 0.000) 3.797 11.795 ( -5.514 -0.314 0.000) 5.523 11.795 ( -5.514 0.314 0.000) 5.523 11.795 ( 5.514 -0.314 0.000) 5.523 11.795 ( 5.514 0.314 0.000) 5.523 15.708 ( -0.358 -1.101 0.000) 1.158 15.708 ( 0.358 -1.101 0.000) 1.158 15.708 ( -0.358 1.101 0.000) 1.158 15.708 ( 0.358 1.101 0.000) 1.158 15.968 ( -1.125 -0.728 0.000) 1.340 15.968 ( 1.125 -0.728 0.000) 1.340 15.968 ( -1.125 0.728 0.000) 1.340 15.968 ( 1.125 0.728 0.000) 1.340 16.101 ( -1.247 -0.741 0.000) 1.450 16.101 ( 1.247 -0.741 0.000) 1.450 16.101 ( -1.247 0.741 0.000) 1.450 16.101 ( 1.247 0.741 0.000) 1.450 26.210 ( -0.099 -0.243 0.000) 0.263 26.210 ( 0.099 -0.243 0.000) 0.263 26.210 ( -0.099 0.243 0.000) 0.263 26.210 ( 0.099 0.243 0.000) 0.263 28.659 ( -5.643 -1.822 0.000) 5.930 28.659 ( -5.643 1.822 0.000) 5.930 28.659 ( 5.643 -1.822 0.000) 5.930 28.659 ( 5.643 1.822 0.000) 5.930 28.947 ( -1.323 -4.338 0.000) 4.535 28.947 ( 1.323 -4.338 0.000) 4.535 28.947 ( -1.323 4.338 0.000) 4.535 28.947 ( 1.323 4.338 0.000) 4.535 30.218 ( -3.596 -6.050 0.000) 7.038 30.218 ( 3.596 -6.050 0.000) 7.038 30.218 ( -3.596 6.050 0.000) 7.038 30.218 ( 3.596 6.050 0.000) 7.038 ======================= Grid point 35 (13/60) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.419 ( 0.000 0.000 20.844) 20.844 0.470 ( 0.000 0.000 22.728) 22.728 0.764 ( 0.000 0.000 37.217) 37.217 1.252 ( 0.000 0.000 1.259) 1.259 1.420 ( 0.000 0.000 -9.266) 9.266 1.573 ( 0.000 0.000 -6.690) 6.690 1.581 ( 0.000 0.000 -6.066) 6.066 1.712 ( 0.000 0.000 2.437) 2.437 1.721 ( 0.000 0.000 5.939) 5.939 1.823 ( 0.000 0.000 -10.274) 10.274 1.920 ( 0.000 0.000 -4.298) 4.298 1.942 ( 0.000 0.000 -3.695) 3.695 1.948 ( 0.000 0.000 -6.860) 6.860 2.056 ( 0.000 0.000 2.559) 2.559 2.085 ( 0.000 0.000 -0.098) 0.098 2.238 ( 0.000 0.000 5.888) 5.888 2.297 ( 0.000 0.000 5.567) 5.567 2.332 ( 0.000 0.000 -3.460) 3.460 2.355 ( 0.000 0.000 -4.107) 4.107 2.406 ( 0.000 0.000 4.407) 4.407 2.501 ( 0.000 0.000 -3.297) 3.297 2.572 ( 0.000 0.000 1.200) 1.200 2.612 ( 0.000 0.000 2.351) 2.351 2.639 ( 0.000 0.000 -5.491) 5.491 2.723 ( 0.000 0.000 -1.155) 1.155 2.765 ( 0.000 0.000 1.401) 1.401 2.772 ( 0.000 0.000 -0.308) 0.308 2.816 ( 0.000 0.000 0.206) 0.206 2.840 ( 0.000 0.000 -3.485) 3.485 2.868 ( 0.000 0.000 -1.147) 1.147 2.881 ( 0.000 0.000 1.813) 1.813 2.946 ( 0.000 0.000 0.720) 0.720 2.969 ( 0.000 0.000 1.158) 1.158 3.052 ( 0.000 0.000 0.400) 0.400 3.065 ( 0.000 0.000 7.895) 7.895 3.065 ( 0.000 0.000 2.295) 2.295 3.127 ( 0.000 0.000 1.334) 1.334 3.378 ( 0.000 0.000 2.920) 2.920 3.394 ( 0.000 0.000 -1.213) 1.213 3.622 ( 0.000 0.000 2.202) 2.202 3.888 ( 0.000 0.000 3.328) 3.328 4.018 ( 0.000 0.000 -6.937) 6.937 4.027 ( 0.000 0.000 -4.678) 4.678 4.134 ( 0.000 0.000 2.774) 2.774 4.255 ( 0.000 0.000 -0.685) 0.685 4.269 ( 0.000 0.000 -5.346) 5.346 4.308 ( 0.000 0.000 5.696) 5.696 4.340 ( 0.000 0.000 -0.116) 0.116 4.412 ( 0.000 0.000 -0.892) 0.892 4.509 ( 0.000 0.000 1.000) 1.000 4.570 ( 0.000 0.000 -0.866) 0.866 4.639 ( 0.000 0.000 3.312) 3.312 4.641 ( 0.000 0.000 -0.101) 0.101 4.689 ( 0.000 0.000 0.904) 0.904 4.737 ( 0.000 0.000 -1.134) 1.134 5.023 ( 0.000 0.000 -2.067) 2.067 5.154 ( 0.000 0.000 -5.526) 5.526 5.221 ( 0.000 0.000 -0.614) 0.614 5.363 ( 0.000 0.000 -3.256) 3.256 6.151 ( 0.000 0.000 -7.686) 7.686 11.420 ( 0.000 0.000 1.249) 1.249 11.477 ( 0.000 0.000 -2.533) 2.533 11.483 ( 0.000 0.000 0.324) 0.324 11.523 ( 0.000 0.000 -2.495) 2.495 11.569 ( 0.000 0.000 -0.395) 0.395 11.760 ( 0.000 0.000 0.037) 0.037 11.808 ( 0.000 0.000 -0.426) 0.426 11.876 ( 0.000 0.000 -3.629) 3.629 15.745 ( 0.000 0.000 -0.683) 0.683 15.768 ( 0.000 0.000 0.033) 0.033 15.815 ( 0.000 0.000 0.228) 0.228 15.893 ( 0.000 0.000 0.046) 0.046 15.895 ( 0.000 0.000 2.124) 2.124 15.909 ( 0.000 0.000 0.437) 0.437 15.913 ( 0.000 0.000 1.627) 1.627 15.943 ( 0.000 0.000 2.493) 2.493 15.951 ( 0.000 0.000 -1.708) 1.708 16.078 ( 0.000 0.000 3.597) 3.597 16.191 ( 0.000 0.000 -0.527) 0.527 16.303 ( 0.000 0.000 -0.755) 0.755 26.204 ( 0.000 0.000 0.133) 0.133 26.213 ( 0.000 0.000 0.004) 0.004 26.217 ( 0.000 0.000 0.664) 0.664 26.227 ( 0.000 0.000 0.330) 0.330 28.475 ( 0.000 0.000 1.058) 1.058 28.503 ( 0.000 0.000 1.964) 1.964 28.892 ( 0.000 0.000 2.671) 2.671 28.938 ( 0.000 0.000 -1.809) 1.809 29.017 ( 0.000 0.000 -0.171) 0.171 29.135 ( 0.000 0.000 -1.468) 1.468 29.206 ( 0.000 0.000 -2.097) 2.097 29.399 ( 0.000 0.000 -0.761) 0.761 29.475 ( 0.000 0.000 -0.896) 0.896 29.880 ( 0.000 0.000 -4.759) 4.759 29.925 ( 0.000 0.000 1.112) 1.112 30.326 ( 0.000 0.000 -3.230) 3.230 ======================= Grid point 36 (14/60) ======================= q-point: ( 0.25 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.507 ( 14.652 0.000 9.705) 17.575 0.687 ( 16.874 0.000 14.559) 22.287 1.179 ( 27.338 0.000 25.837) 37.615 1.251 ( -0.114 0.000 0.382) 0.398 1.330 ( -16.920 0.000 -2.059) 17.045 1.386 ( -3.845 0.000 -6.209) 7.303 1.503 ( -10.352 0.000 -1.406) 10.447 1.665 ( 1.896 0.000 -1.967) 2.733 1.800 ( 4.281 0.000 -0.797) 4.355 1.842 ( -1.739 0.000 -9.336) 9.497 1.902 ( -1.952 0.000 -4.556) 4.956 1.936 ( 2.162 0.000 -3.006) 3.703 2.014 ( 3.941 0.000 -3.353) 5.175 2.044 ( -1.190 0.000 1.138) 1.646 2.145 ( 1.033 0.000 1.536) 1.851 2.220 ( -4.405 0.000 5.060) 6.709 2.250 ( -2.028 0.000 5.100) 5.489 2.295 ( -3.518 0.000 -1.198) 3.716 2.368 ( -0.210 0.000 2.447) 2.456 2.415 ( 3.889 0.000 -2.757) 4.767 2.542 ( 3.216 0.000 -0.590) 3.269 2.574 ( -3.032 0.000 0.423) 3.061 2.577 ( -10.652 0.000 3.538) 11.225 2.624 ( 3.618 0.000 -0.305) 3.631 2.666 ( 0.018 0.000 -3.940) 3.940 2.741 ( -1.599 0.000 -1.552) 2.228 2.772 ( 1.187 0.000 -3.777) 3.959 2.824 ( -2.506 0.000 3.464) 4.276 2.833 ( 1.513 0.000 -1.291) 1.989 2.888 ( 0.296 0.000 0.234) 0.377 2.901 ( 2.567 0.000 0.423) 2.602 2.920 ( -0.295 0.000 1.570) 1.598 2.939 ( -2.910 0.000 0.355) 2.932 3.013 ( 2.790 0.000 0.468) 2.829 3.021 ( -1.787 0.000 2.251) 2.874 3.081 ( 0.267 0.000 0.864) 0.904 3.187 ( 1.811 0.000 2.641) 3.202 3.280 ( -0.385 0.000 -2.536) 2.565 3.550 ( 3.960 0.000 -2.439) 4.651 3.660 ( 3.918 0.000 1.112) 4.073 3.935 ( 0.118 0.000 -0.897) 0.905 3.968 ( -2.538 0.000 -3.918) 4.668 4.074 ( 2.254 0.000 -4.586) 5.110 4.148 ( 1.221 0.000 2.449) 2.736 4.206 ( -3.437 0.000 -1.592) 3.788 4.231 ( -1.991 0.000 0.176) 1.999 4.337 ( 2.635 0.000 6.925) 7.410 4.354 ( 1.263 0.000 -0.280) 1.293 4.405 ( -0.651 0.000 -0.424) 0.777 4.503 ( -1.309 0.000 2.003) 2.393 4.549 ( -1.962 0.000 1.222) 2.311 4.626 ( -0.107 0.000 3.456) 3.458 4.667 ( 2.797 0.000 -1.386) 3.121 4.728 ( 2.472 0.000 0.229) 2.482 4.771 ( 1.701 0.000 0.334) 1.734 4.989 ( -10.349 0.000 0.774) 10.377 5.007 ( -1.109 0.000 -2.176) 2.442 5.101 ( -4.369 0.000 -4.477) 6.256 5.648 ( 15.154 0.000 -6.098) 16.335 6.111 ( -4.989 0.000 -11.274) 12.329 11.399 ( -0.819 0.000 0.089) 0.824 11.427 ( -2.222 0.000 -2.022) 3.004 11.529 ( 3.998 0.000 0.212) 4.003 11.601 ( 2.848 0.000 -0.365) 2.872 11.612 ( 5.633 0.000 -2.951) 6.360 11.725 ( -3.192 0.000 0.023) 3.192 11.770 ( -3.362 0.000 -0.396) 3.385 11.838 ( -3.522 0.000 -3.650) 5.072 15.736 ( -0.119 0.000 -0.155) 0.195 15.763 ( -0.874 0.000 0.460) 0.987 15.817 ( 0.197 0.000 0.371) 0.420 15.852 ( -1.653 0.000 0.933) 1.898 15.896 ( 0.170 0.000 1.983) 1.990 15.914 ( -0.618 0.000 1.869) 1.969 15.952 ( 2.292 0.000 0.258) 2.307 15.984 ( 4.312 0.000 0.479) 4.339 16.008 ( 1.051 0.000 -0.472) 1.152 16.103 ( 2.701 0.000 1.058) 2.901 16.160 ( -2.799 0.000 -0.400) 2.828 16.243 ( -3.723 0.000 1.970) 4.212 26.204 ( 0.054 0.000 0.186) 0.193 26.213 ( -0.282 0.000 0.535) 0.605 26.216 ( 0.263 0.000 0.041) 0.267 26.227 ( -0.094 0.000 0.285) 0.300 28.558 ( 4.876 0.000 1.562) 5.120 28.630 ( 7.605 0.000 -5.439) 9.350 28.848 ( -3.285 0.000 1.345) 3.549 28.908 ( -3.391 0.000 -1.436) 3.683 29.030 ( 1.179 0.000 -0.230) 1.201 29.135 ( 2.475 0.000 0.883) 2.628 29.142 ( -4.002 0.000 -1.120) 4.156 29.398 ( -6.553 0.000 -1.327) 6.686 29.505 ( 7.712 0.000 -2.023) 7.973 29.824 ( -5.057 0.000 -4.382) 6.692 29.992 ( 5.167 0.000 0.777) 5.226 30.224 ( -5.848 0.000 1.612) 6.066 ======================= Grid point 37 (15/60) ======================= q-point: (-0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( -20.454 0.000 -0.034) 20.454 0.911 ( 20.454 0.000 -0.034) 20.454 1.078 ( -17.639 0.000 7.396) 19.127 1.078 ( 17.639 0.000 7.396) 19.127 1.341 ( -3.218 0.000 -4.216) 5.304 1.341 ( 3.218 0.000 -4.216) 5.304 1.757 ( -19.394 0.000 12.279) 22.954 1.757 ( 19.394 0.000 12.279) 22.954 1.760 ( -5.053 0.000 -6.249) 8.037 1.760 ( 5.053 0.000 -6.249) 8.037 1.915 ( -10.380 0.000 1.688) 10.516 1.915 ( 10.380 0.000 1.688) 10.516 2.002 ( -2.841 0.000 -2.059) 3.509 2.002 ( 2.841 0.000 -2.059) 3.509 2.108 ( -4.519 0.000 -0.522) 4.549 2.108 ( 4.519 0.000 -0.522) 4.549 2.238 ( -1.180 0.000 2.503) 2.767 2.238 ( 1.180 0.000 2.503) 2.767 2.438 ( -4.319 0.000 0.442) 4.341 2.438 ( 4.319 0.000 0.442) 4.341 2.495 ( -3.818 0.000 -1.196) 4.001 2.495 ( 3.818 0.000 -1.196) 4.001 2.612 ( -3.940 0.000 3.957) 5.584 2.612 ( 3.940 0.000 3.957) 5.584 2.698 ( -2.728 0.000 -1.947) 3.352 2.698 ( 2.728 0.000 -1.947) 3.352 2.802 ( -0.920 0.000 -3.513) 3.631 2.802 ( 0.920 0.000 -3.513) 3.631 2.873 ( -2.046 0.000 -0.246) 2.061 2.873 ( 2.046 0.000 -0.246) 2.061 2.908 ( -1.682 0.000 -3.534) 3.914 2.908 ( 1.682 0.000 -3.534) 3.914 2.978 ( -2.479 0.000 3.005) 3.896 2.978 ( 2.479 0.000 3.005) 3.896 3.065 ( -1.730 0.000 0.359) 1.767 3.065 ( 1.730 0.000 0.359) 1.767 3.247 ( -2.532 0.000 -0.320) 2.553 3.247 ( 2.532 0.000 -0.320) 2.553 3.654 ( -5.624 0.000 -3.002) 6.375 3.654 ( 5.624 0.000 -3.002) 6.375 3.919 ( -1.649 0.000 -2.644) 3.116 3.919 ( 1.649 0.000 -2.644) 3.116 4.140 ( -3.289 0.000 -1.740) 3.721 4.140 ( 3.289 0.000 -1.740) 3.721 4.184 ( -2.126 0.000 1.524) 2.615 4.184 ( 2.126 0.000 1.524) 2.615 4.384 ( -1.309 0.000 -0.223) 1.328 4.384 ( 1.309 0.000 -0.223) 1.328 4.413 ( -4.396 0.000 5.948) 7.396 4.413 ( 4.396 0.000 5.948) 7.396 4.588 ( -2.992 0.000 3.856) 4.881 4.588 ( 2.992 0.000 3.856) 4.881 4.738 ( -2.335 0.000 -1.877) 2.996 4.738 ( 2.335 0.000 -1.877) 2.996 4.833 ( -4.676 0.000 0.595) 4.713 4.833 ( 4.676 0.000 0.595) 4.713 5.013 ( -2.573 0.000 -2.460) 3.560 5.013 ( 2.573 0.000 -2.460) 3.560 5.934 ( -11.214 0.000 -9.643) 14.790 5.934 ( 11.214 0.000 -9.643) 14.790 11.397 ( -0.616 0.000 -1.397) 1.526 11.397 ( 0.616 0.000 -1.397) 1.526 11.633 ( -5.085 0.000 0.036) 5.085 11.633 ( 5.085 0.000 0.036) 5.085 11.682 ( -4.352 0.000 -0.333) 4.365 11.682 ( 4.352 0.000 -0.333) 4.365 11.736 ( -5.657 0.000 -3.385) 6.592 11.736 ( 5.657 0.000 -3.385) 6.592 15.743 ( -0.752 0.000 0.265) 0.797 15.743 ( 0.752 0.000 0.265) 0.797 15.827 ( -0.758 0.000 0.744) 1.062 15.827 ( 0.758 0.000 0.744) 1.062 15.904 ( -0.473 0.000 2.022) 2.077 15.904 ( 0.473 0.000 2.022) 2.077 15.995 ( -1.588 0.000 0.707) 1.739 15.995 ( 1.588 0.000 0.707) 1.739 16.080 ( -4.407 0.000 -0.049) 4.407 16.080 ( 4.407 0.000 -0.049) 4.407 16.170 ( -3.210 0.000 1.192) 3.424 16.170 ( 3.210 0.000 1.192) 3.424 26.207 ( -0.219 0.000 0.338) 0.403 26.207 ( 0.219 0.000 0.338) 0.403 26.222 ( -0.269 0.000 0.154) 0.310 26.222 ( 0.269 0.000 0.154) 0.310 28.672 ( -4.169 0.000 0.429) 4.191 28.672 ( 4.169 0.000 0.429) 4.191 28.828 ( -2.938 0.000 -2.294) 3.728 28.828 ( 2.938 0.000 -2.294) 3.728 29.070 ( -2.644 0.000 -0.474) 2.686 29.070 ( 2.644 0.000 -0.474) 2.686 29.244 ( -6.908 0.000 -0.273) 6.913 29.244 ( 6.908 0.000 -0.273) 6.913 29.679 ( -8.004 0.000 -3.388) 8.691 29.679 ( 8.004 0.000 -3.388) 8.691 30.108 ( -5.385 0.000 1.045) 5.485 30.108 ( 5.385 0.000 1.045) 5.485 ======================= Grid point 40 (16/60) ======================= q-point: ( 0.00 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.528 ( 0.000 11.847 13.953) 18.304 0.614 ( 0.000 16.266 12.966) 20.801 1.090 ( 0.000 22.421 23.675) 32.607 1.301 ( 0.000 5.281 4.123) 6.700 1.449 ( 0.000 2.011 -7.911) 8.163 1.562 ( 0.000 -0.964 -5.189) 5.278 1.631 ( 0.000 3.822 -4.987) 6.283 1.667 ( 0.000 -2.965 -0.214) 2.973 1.710 ( 0.000 -0.735 4.503) 4.563 1.810 ( 0.000 -2.311 -6.080) 6.505 1.878 ( 0.000 -3.411 -4.443) 5.601 1.967 ( 0.000 -0.550 -4.729) 4.761 1.983 ( 0.000 2.672 -3.591) 4.476 2.016 ( 0.000 1.028 -1.180) 1.565 2.117 ( 0.000 -3.525 5.457) 6.496 2.153 ( 0.000 3.611 -0.816) 3.702 2.285 ( 0.000 -6.579 -0.678) 6.614 2.327 ( 0.000 -0.870 -1.862) 2.055 2.367 ( 0.000 -2.632 2.268) 3.474 2.450 ( 0.000 -3.198 -2.666) 4.164 2.464 ( 0.000 7.616 5.105) 9.169 2.549 ( 0.000 -2.913 0.582) 2.971 2.589 ( 0.000 -0.529 -4.011) 4.046 2.646 ( 0.000 -0.784 -5.494) 5.550 2.692 ( 0.000 -1.230 -1.782) 2.165 2.751 ( 0.000 1.081 0.513) 1.197 2.792 ( 0.000 -1.076 0.682) 1.274 2.804 ( 0.000 -0.694 1.574) 1.720 2.804 ( 0.000 -2.774 -3.665) 4.596 2.896 ( 0.000 3.616 -0.963) 3.742 2.916 ( 0.000 2.961 4.018) 4.991 2.977 ( 0.000 0.195 1.637) 1.649 3.009 ( 0.000 2.151 2.037) 2.962 3.041 ( 0.000 -0.207 0.949) 0.971 3.054 ( 0.000 2.840 0.709) 2.927 3.162 ( 0.000 3.785 1.731) 4.162 3.248 ( 0.000 9.553 2.711) 9.931 3.383 ( 0.000 2.428 4.750) 5.335 3.431 ( 0.000 1.719 0.115) 1.723 3.524 ( 0.000 -7.933 4.183) 8.969 3.903 ( 0.000 1.500 2.055) 2.544 3.986 ( 0.000 -3.093 -5.234) 6.080 4.005 ( 0.000 -1.126 -4.822) 4.952 4.154 ( 0.000 1.464 1.611) 2.177 4.181 ( 0.000 -4.018 1.048) 4.152 4.293 ( 0.000 -0.307 4.956) 4.966 4.300 ( 0.000 2.888 -2.361) 3.730 4.376 ( 0.000 -0.538 -2.176) 2.242 4.425 ( 0.000 1.199 -0.607) 1.344 4.521 ( 0.000 1.151 -0.155) 1.161 4.565 ( 0.000 -0.177 -0.906) 0.923 4.623 ( 0.000 0.467 1.499) 1.570 4.650 ( 0.000 -1.979 3.431) 3.961 4.711 ( 0.000 3.993 0.322) 4.006 4.729 ( 0.000 -1.277 -0.709) 1.461 4.979 ( 0.000 -4.084 -0.929) 4.189 5.210 ( 0.000 -1.063 -2.382) 2.608 5.243 ( 0.000 6.599 -6.564) 9.308 5.344 ( 0.000 -0.186 -2.654) 2.660 6.101 ( 0.000 -4.993 -8.223) 9.621 11.430 ( 0.000 2.035 0.148) 2.040 11.464 ( 0.000 -1.148 -2.113) 2.405 11.488 ( 0.000 0.056 -0.218) 0.225 11.499 ( 0.000 -1.560 -1.389) 2.089 11.564 ( 0.000 -0.549 -0.349) 0.650 11.801 ( 0.000 3.433 -0.843) 3.535 11.833 ( 0.000 2.289 -1.025) 2.508 11.842 ( 0.000 -3.360 -3.475) 4.834 15.746 ( 0.000 0.221 -0.459) 0.509 15.769 ( 0.000 0.085 0.064) 0.106 15.780 ( 0.000 -0.469 0.840) 0.962 15.854 ( 0.000 -2.781 -0.682) 2.863 15.891 ( 0.000 -1.426 0.980) 1.730 15.900 ( 0.000 0.254 1.805) 1.823 15.918 ( 0.000 0.540 0.793) 0.959 15.975 ( 0.000 1.530 -0.311) 1.561 16.058 ( 0.000 5.192 -0.954) 5.279 16.066 ( 0.000 -1.010 2.686) 2.870 16.194 ( 0.000 0.194 0.056) 0.202 16.270 ( 0.000 -2.625 1.923) 3.254 26.204 ( 0.000 0.029 0.129) 0.133 26.212 ( 0.000 -0.077 0.019) 0.080 26.217 ( 0.000 -0.019 0.635) 0.636 26.226 ( 0.000 -0.138 0.331) 0.359 28.477 ( 0.000 0.177 1.211) 1.224 28.500 ( 0.000 -0.287 1.866) 1.888 28.861 ( 0.000 -2.673 1.906) 3.283 28.881 ( 0.000 -4.801 4.112) 6.321 28.933 ( 0.000 -2.437 -0.934) 2.610 29.080 ( 0.000 -4.379 -1.468) 4.618 29.167 ( 0.000 -4.345 0.989) 4.457 29.175 ( 0.000 -10.563 2.504) 10.856 29.735 ( 0.000 13.245 -4.852) 14.106 29.890 ( 0.000 3.718 -7.021) 7.945 30.046 ( 0.000 8.200 0.732) 8.232 30.424 ( 0.000 3.524 -8.039) 8.777 ======================= Grid point 41 (17/60) ======================= q-point: ( 0.25 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.673 ( 8.589 12.782 10.982) 18.915 0.720 ( 15.269 7.405 10.864) 20.150 1.268 ( 0.479 2.852 1.731) 3.371 1.333 ( -12.441 1.217 -1.407) 12.580 1.404 ( 6.292 10.433 8.756) 15.003 1.424 ( 4.847 8.679 5.661) 11.439 1.516 ( -8.469 0.952 -0.709) 8.552 1.665 ( 2.675 -0.515 -2.047) 3.408 1.788 ( 5.134 0.144 -1.683) 5.405 1.826 ( 0.489 -2.514 -6.388) 6.883 1.894 ( -0.617 -2.900 -3.358) 4.480 1.931 ( -1.596 1.031 -3.780) 4.230 1.987 ( 0.881 -1.865 -2.937) 3.589 2.056 ( 1.136 1.157 -1.350) 2.110 2.091 ( -2.390 -2.495 4.701) 5.835 2.215 ( 2.498 2.426 -1.413) 3.758 2.253 ( -1.510 -2.846 0.589) 3.275 2.344 ( 1.340 0.338 2.618) 2.961 2.363 ( 1.090 -1.114 1.478) 2.148 2.438 ( -3.967 4.256 3.244) 6.662 2.478 ( 1.859 -2.615 -0.683) 3.281 2.545 ( -3.799 0.009 -1.310) 4.019 2.597 ( 0.715 -2.052 -3.852) 4.423 2.652 ( -6.073 2.554 0.797) 6.636 2.681 ( 3.043 0.111 -3.473) 4.619 2.713 ( 1.489 -0.547 -3.444) 3.792 2.782 ( 0.051 -1.304 1.740) 2.175 2.813 ( 0.058 -0.601 -2.414) 2.488 2.838 ( 2.408 0.662 0.377) 2.525 2.909 ( -0.895 -1.560 -0.108) 1.802 2.929 ( -0.709 3.076 1.579) 3.530 2.937 ( -1.921 4.507 3.216) 5.861 2.971 ( -0.657 1.272 1.196) 1.865 3.033 ( 0.160 1.242 2.782) 3.051 3.087 ( 0.182 2.154 0.539) 2.228 3.107 ( 0.121 7.093 1.787) 7.316 3.206 ( -1.311 1.619 2.365) 3.152 3.305 ( -0.727 2.497 -2.487) 3.599 3.494 ( 1.943 -6.832 0.294) 7.110 3.639 ( 4.134 -1.031 1.125) 4.406 3.926 ( -0.822 -0.720 -1.339) 1.728 3.951 ( -1.661 -1.625 -1.891) 2.996 4.013 ( 1.414 -3.391 -2.607) 4.505 4.134 ( -1.965 -2.337 -0.141) 3.057 4.191 ( 1.451 0.213 3.291) 3.603 4.274 ( -1.620 1.973 1.421) 2.921 4.317 ( 1.627 0.723 3.549) 3.970 4.389 ( 1.440 1.200 -0.775) 2.029 4.424 ( -0.419 0.558 -1.622) 1.766 4.512 ( 0.516 0.923 0.878) 1.375 4.528 ( -3.684 -0.189 0.314) 3.703 4.617 ( -1.583 -0.191 3.376) 3.733 4.711 ( 3.107 -1.407 0.806) 3.505 4.739 ( 2.959 4.313 -1.230) 5.373 4.761 ( 2.920 -1.156 0.170) 3.145 4.940 ( -4.802 -3.612 0.241) 6.014 5.037 ( -3.814 2.451 -2.045) 4.974 5.199 ( -4.914 9.034 -5.297) 11.568 5.596 ( 14.051 -5.000 -6.107) 16.116 6.042 ( -5.575 -6.246 -9.881) 12.951 11.420 ( -0.743 2.120 -0.497) 2.301 11.424 ( -1.496 -0.036 -1.688) 2.256 11.535 ( 3.858 0.474 0.095) 3.888 11.571 ( 4.330 -3.190 -1.975) 5.729 11.613 ( 3.852 0.738 -1.132) 4.083 11.769 ( -2.745 3.433 -1.059) 4.521 11.798 ( -3.109 2.410 -1.156) 4.100 11.810 ( -2.905 -2.795 -3.507) 5.343 15.725 ( -0.490 -0.852 0.570) 1.136 15.761 ( -1.262 -0.220 0.535) 1.388 15.776 ( -0.061 -1.535 0.984) 1.824 15.816 ( -1.855 -2.372 0.869) 3.134 15.911 ( 0.962 0.698 1.421) 1.853 15.934 ( 0.904 0.243 0.106) 0.942 15.952 ( 2.693 -0.729 0.328) 2.809 15.986 ( 1.442 1.387 1.055) 2.262 16.038 ( -0.401 1.373 0.634) 1.564 16.104 ( 2.159 0.418 0.343) 2.225 16.163 ( -2.662 0.194 0.196) 2.676 16.224 ( -3.157 -1.746 2.535) 4.409 26.205 ( 0.053 0.033 0.178) 0.188 26.213 ( -0.269 0.002 0.509) 0.576 26.215 ( 0.234 -0.113 0.047) 0.264 26.225 ( -0.106 -0.165 0.279) 0.341 28.554 ( 4.733 -0.330 1.577) 5.000 28.607 ( 8.163 -2.035 -3.182) 8.994 28.810 ( -3.382 -3.190 1.790) 4.981 28.888 ( -3.567 -1.978 -2.020) 4.552 28.918 ( 2.278 -4.903 4.180) 6.834 29.063 ( -4.310 -6.055 1.931) 7.679 29.117 ( 2.498 -3.798 -1.180) 4.697 29.234 ( 0.318 -8.660 1.216) 8.751 29.725 ( 0.848 12.958 -4.416) 13.716 29.887 ( -2.297 6.302 -5.746) 8.832 30.070 ( 3.223 6.114 -0.233) 6.915 30.316 ( -7.306 5.122 -3.697) 9.658 ======================= Grid point 42 (18/60) ======================= q-point: (-0.50 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( -15.631 4.566 3.675) 16.693 0.960 ( 15.631 4.566 3.675) 16.693 1.091 ( -15.944 2.699 7.101) 17.661 1.091 ( 15.944 2.699 7.101) 17.661 1.373 ( -4.164 2.496 -2.950) 5.680 1.373 ( 4.164 2.496 -2.950) 5.680 1.760 ( -3.759 -0.724 -1.621) 4.157 1.760 ( 3.759 -0.724 -1.621) 4.157 1.813 ( -4.385 1.408 -1.924) 4.991 1.813 ( 4.385 1.408 -1.924) 4.991 1.941 ( -9.311 2.896 1.296) 9.837 1.941 ( 9.311 2.896 1.296) 9.837 1.978 ( -3.356 -1.322 1.560) 3.930 1.978 ( 3.356 -1.322 1.560) 3.930 2.135 ( -8.639 4.886 1.410) 10.025 2.135 ( 8.639 4.886 1.410) 10.025 2.255 ( -2.254 1.861 1.639) 3.351 2.255 ( 2.254 1.861 1.639) 3.351 2.410 ( -0.857 -2.610 1.195) 2.996 2.410 ( 0.857 -2.610 1.195) 2.996 2.501 ( -1.457 0.047 0.684) 1.610 2.501 ( 1.457 0.047 0.684) 1.610 2.572 ( -0.657 -0.820 -0.763) 1.299 2.572 ( 0.657 -0.820 -0.763) 1.299 2.734 ( -0.304 0.419 -3.864) 3.899 2.734 ( 0.304 0.419 -3.864) 3.899 2.799 ( -0.938 0.929 -0.551) 1.431 2.799 ( 0.938 0.929 -0.551) 1.431 2.881 ( -0.749 -0.195 0.194) 0.798 2.881 ( 0.749 -0.195 0.194) 0.798 2.922 ( -1.882 0.065 -0.671) 1.999 2.922 ( 1.882 0.065 -0.671) 1.999 3.006 ( -2.442 2.559 3.223) 4.785 3.006 ( 2.442 2.559 3.223) 4.785 3.106 ( -1.067 4.742 0.550) 4.892 3.106 ( 1.067 4.742 0.550) 4.892 3.252 ( -3.361 0.540 -1.644) 3.780 3.252 ( 3.361 0.540 -1.644) 3.780 3.593 ( -6.568 -5.962 -1.709) 9.034 3.593 ( 6.568 -5.962 -1.709) 9.034 3.914 ( -1.659 -0.341 -1.457) 2.234 3.914 ( 1.659 -0.341 -1.457) 2.234 4.077 ( -3.356 -3.863 0.080) 5.118 4.077 ( 3.356 -3.863 0.080) 5.118 4.233 ( -2.118 2.690 2.484) 4.230 4.233 ( 2.118 2.690 2.484) 4.230 4.372 ( -3.054 -0.407 2.913) 4.240 4.372 ( 3.054 -0.407 2.913) 4.240 4.447 ( -2.910 2.001 -0.104) 3.533 4.447 ( 2.910 2.001 -0.104) 3.533 4.556 ( -3.206 -0.587 2.202) 3.933 4.556 ( 3.206 -0.587 2.202) 3.933 4.767 ( -1.706 0.375 -0.135) 1.752 4.767 ( 1.706 0.375 -0.135) 1.752 4.830 ( -4.136 -0.604 -0.011) 4.180 4.830 ( 4.136 -0.604 -0.011) 4.180 5.075 ( -5.491 6.795 -3.403) 9.376 5.075 ( 5.491 6.795 -3.403) 9.376 5.866 ( -10.738 -6.502 -9.239) 15.586 5.866 ( 10.738 -6.502 -9.239) 15.586 11.409 ( -0.043 1.284 -1.230) 1.778 11.409 ( 0.043 1.284 -1.230) 1.778 11.618 ( -2.049 -1.801 -0.383) 2.754 11.618 ( 2.049 -1.801 -0.383) 2.754 11.703 ( -3.996 2.114 -1.245) 4.689 11.703 ( 3.996 2.114 -1.245) 4.689 11.745 ( -1.312 0.718 -3.035) 3.384 11.745 ( 1.312 0.718 -3.035) 3.384 15.733 ( -1.027 -1.023 0.649) 1.588 15.733 ( 1.027 -1.023 0.649) 1.588 15.785 ( -0.983 -2.416 1.440) 2.979 15.785 ( 0.983 -2.416 1.440) 2.979 15.931 ( -0.766 1.547 1.015) 2.002 15.931 ( 0.766 1.547 1.015) 2.002 15.992 ( -1.236 -0.266 0.823) 1.508 15.992 ( 1.236 -0.266 0.823) 1.508 16.083 ( -3.862 0.344 -0.008) 3.877 16.083 ( 3.862 0.344 -0.008) 3.877 16.161 ( -2.601 -0.867 1.575) 3.162 16.161 ( 2.601 -0.867 1.575) 3.162 26.208 ( -0.209 0.025 0.315) 0.379 26.208 ( 0.209 0.025 0.315) 0.379 26.221 ( -0.251 -0.164 0.146) 0.334 26.221 ( 0.251 -0.164 0.146) 0.334 28.667 ( -4.296 -0.468 0.666) 4.373 28.667 ( 4.296 -0.468 0.666) 4.373 28.798 ( -4.167 -3.019 -2.613) 5.771 28.798 ( 4.167 -3.019 -2.613) 5.771 28.979 ( -3.392 -5.626 2.997) 7.221 28.979 ( 3.392 -5.626 2.997) 7.221 29.189 ( -3.601 -5.507 -0.268) 6.585 29.189 ( 3.601 -5.507 -0.268) 6.585 29.796 ( -4.961 9.897 -4.019) 11.777 29.796 ( 4.961 9.897 -4.019) 11.777 30.173 ( -5.885 4.691 -1.762) 7.729 30.173 ( 5.885 4.691 -1.762) 7.729 ======================= Grid point 45 (19/60) ======================= q-point: ( 0.00 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( 0.000 18.389 2.391) 18.544 0.964 ( 0.000 17.894 5.783) 18.805 1.311 ( 0.000 3.199 0.139) 3.202 1.462 ( 0.000 -1.177 -0.744) 1.393 1.467 ( 0.000 -9.406 -2.489) 9.730 1.550 ( 0.000 -0.105 6.736) 6.737 1.650 ( 0.000 12.508 8.511) 15.129 1.693 ( 0.000 0.909 -5.376) 5.453 1.746 ( 0.000 5.473 -2.356) 5.959 1.759 ( 0.000 0.497 -3.337) 3.374 1.829 ( 0.000 0.601 0.031) 0.602 1.921 ( 0.000 -2.823 -3.189) 4.259 2.032 ( 0.000 2.180 -3.130) 3.814 2.058 ( 0.000 -0.358 0.367) 0.513 2.117 ( 0.000 -7.068 -1.377) 7.201 2.133 ( 0.000 3.022 2.714) 4.062 2.207 ( 0.000 0.941 1.736) 1.975 2.284 ( 0.000 -5.546 0.073) 5.547 2.335 ( 0.000 1.528 -5.139) 5.362 2.420 ( 0.000 0.815 -0.252) 0.853 2.450 ( 0.000 -6.054 -0.267) 6.059 2.535 ( 0.000 -1.257 2.115) 2.460 2.599 ( 0.000 1.328 -5.944) 6.090 2.636 ( 0.000 -0.074 -2.186) 2.187 2.681 ( 0.000 -1.616 -5.481) 5.715 2.750 ( 0.000 -3.271 4.000) 5.167 2.781 ( 0.000 2.626 -2.172) 3.408 2.782 ( 0.000 3.019 -0.400) 3.045 2.829 ( 0.000 2.077 0.609) 2.164 2.932 ( 0.000 -1.121 -0.410) 1.194 2.934 ( 0.000 0.696 4.576) 4.629 2.973 ( 0.000 -0.070 1.931) 1.932 3.041 ( 0.000 -1.098 1.300) 1.702 3.076 ( 0.000 3.341 2.238) 4.022 3.105 ( 0.000 2.868 3.943) 4.875 3.227 ( 0.000 -7.860 6.191) 10.006 3.296 ( 0.000 0.397 1.558) 1.608 3.367 ( 0.000 2.914 2.508) 3.845 3.504 ( 0.000 7.542 2.681) 8.005 3.537 ( 0.000 4.132 3.411) 5.358 3.929 ( 0.000 -2.377 -4.585) 5.165 3.933 ( 0.000 0.320 -1.305) 1.344 3.988 ( 0.000 0.587 0.599) 0.839 4.111 ( 0.000 -3.534 2.714) 4.456 4.184 ( 0.000 2.012 -0.115) 2.016 4.310 ( 0.000 -2.852 -0.244) 2.862 4.325 ( 0.000 2.968 2.948) 4.183 4.371 ( 0.000 1.333 -2.429) 2.771 4.457 ( 0.000 1.968 -0.620) 2.063 4.528 ( 0.000 -0.729 -0.983) 1.224 4.569 ( 0.000 0.542 -0.849) 1.007 4.619 ( 0.000 -1.504 2.987) 3.344 4.643 ( 0.000 1.353 1.098) 1.743 4.697 ( 0.000 -1.625 -0.337) 1.659 4.777 ( 0.000 2.568 -0.762) 2.679 4.887 ( 0.000 -4.500 0.081) 4.500 5.188 ( 0.000 -0.816 -4.473) 4.547 5.240 ( 0.000 -3.280 -5.014) 5.991 5.503 ( 0.000 12.333 -5.461) 13.488 5.960 ( 0.000 -9.153 -7.989) 12.149 11.442 ( 0.000 -0.892 -1.486) 1.733 11.455 ( 0.000 -1.577 -1.332) 2.065 11.503 ( 0.000 2.905 -0.543) 2.955 11.511 ( 0.000 3.267 -0.888) 3.385 11.549 ( 0.000 -0.956 -0.221) 0.982 11.750 ( 0.000 -5.762 -3.073) 6.530 11.868 ( 0.000 2.869 -1.961) 3.475 11.881 ( 0.000 2.060 -1.983) 2.859 15.756 ( 0.000 0.650 -0.297) 0.714 15.770 ( 0.000 -0.036 0.074) 0.082 15.782 ( 0.000 0.206 0.030) 0.208 15.805 ( 0.000 -1.852 -0.818) 2.025 15.869 ( 0.000 -0.413 0.414) 0.585 15.898 ( 0.000 -0.591 1.004) 1.165 15.934 ( 0.000 1.168 1.211) 1.682 15.990 ( 0.000 -0.535 1.953) 2.025 16.060 ( 0.000 1.071 0.762) 1.314 16.115 ( 0.000 0.908 0.357) 0.976 16.195 ( 0.000 -0.094 0.854) 0.859 16.218 ( 0.000 -2.282 2.634) 3.485 26.206 ( 0.000 0.084 0.117) 0.144 26.210 ( 0.000 -0.126 0.055) 0.138 26.217 ( 0.000 0.051 0.564) 0.566 26.222 ( 0.000 -0.189 0.383) 0.427 28.482 ( 0.000 0.289 1.507) 1.534 28.494 ( 0.000 -0.304 1.676) 1.704 28.813 ( 0.000 -1.634 1.095) 1.966 28.843 ( 0.000 0.551 2.499) 2.559 28.875 ( 0.000 -3.672 -2.245) 4.304 28.985 ( 0.000 -5.110 -0.150) 5.112 29.027 ( 0.000 -4.020 4.922) 6.355 29.065 ( 0.000 -4.772 2.563) 5.417 29.952 ( 0.000 8.255 -7.195) 10.950 29.994 ( 0.000 5.232 -9.319) 10.688 30.202 ( 0.000 7.275 0.229) 7.278 30.422 ( 0.000 -2.911 -4.781) 5.597 ======================= Grid point 46 (20/60) ======================= q-point: ( 0.25 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( 4.790 13.695 5.813) 15.630 1.014 ( 5.614 16.316 6.114) 18.306 1.307 ( -4.399 0.987 0.976) 4.613 1.334 ( -5.853 -1.698 1.986) 6.410 1.457 ( -7.628 -0.647 -0.123) 7.656 1.506 ( -1.908 -2.113 -3.405) 4.439 1.618 ( -1.850 -2.985 0.281) 3.523 1.678 ( 3.066 3.507 3.587) 5.879 1.779 ( 1.299 0.056 -3.703) 3.925 1.819 ( -0.554 -1.964 -1.887) 2.779 1.898 ( 8.962 9.111 1.320) 12.848 1.936 ( 3.151 1.326 1.364) 3.681 1.948 ( -3.968 -2.090 -1.491) 4.726 2.062 ( 0.437 0.958 1.522) 1.850 2.116 ( 0.127 3.221 0.651) 3.289 2.206 ( 4.733 -1.312 -0.435) 4.931 2.269 ( 3.641 1.240 -0.999) 3.974 2.325 ( 0.988 -0.902 -2.778) 3.083 2.337 ( 1.840 0.021 -0.741) 1.984 2.439 ( 1.339 -0.012 1.247) 1.830 2.510 ( -2.129 -1.383 -0.780) 2.656 2.516 ( 4.102 -3.247 -3.075) 6.068 2.582 ( -1.980 1.700 -2.928) 3.922 2.659 ( 1.997 -1.900 -1.362) 3.074 2.698 ( -3.462 2.056 -0.582) 4.068 2.712 ( 1.490 -0.520 -4.742) 4.997 2.763 ( 0.193 -0.242 3.499) 3.512 2.805 ( 0.784 1.119 -3.248) 3.523 2.848 ( 1.596 0.172 1.514) 2.206 2.890 ( -2.122 0.825 2.332) 3.259 2.941 ( -1.360 -1.948 2.571) 3.500 2.997 ( 0.674 2.277 0.868) 2.528 3.020 ( -0.122 -1.040 0.963) 1.423 3.081 ( -1.865 6.072 4.821) 7.974 3.136 ( 2.833 1.726 1.851) 3.799 3.245 ( 0.948 -8.539 3.884) 9.428 3.253 ( -2.449 5.997 0.955) 6.547 3.295 ( -5.867 6.210 1.958) 8.765 3.397 ( 0.734 0.232 -0.044) 0.771 3.596 ( -3.592 -4.402 1.300) 5.829 3.904 ( -1.018 -0.835 -2.088) 2.469 3.936 ( 0.552 -0.231 0.681) 0.907 3.973 ( -1.015 -0.394 0.494) 1.196 4.073 ( -2.784 -3.412 2.798) 5.217 4.211 ( 2.629 2.058 1.087) 3.511 4.307 ( 0.095 1.011 0.875) 1.340 4.356 ( 1.529 1.261 2.181) 2.947 4.398 ( 2.060 0.447 -2.005) 2.909 4.437 ( -1.319 2.362 -0.736) 2.804 4.529 ( -3.097 0.662 0.496) 3.206 4.536 ( 0.703 0.100 -0.717) 1.009 4.610 ( -1.188 -1.384 3.018) 3.526 4.687 ( 3.078 -0.298 0.824) 3.200 4.728 ( 2.705 -1.760 0.367) 3.248 4.791 ( 0.233 0.953 -0.627) 1.164 4.863 ( -2.379 -3.771 0.416) 4.478 5.127 ( 2.061 6.798 -4.521) 8.420 5.397 ( 0.311 5.959 -8.039) 10.012 5.485 ( 5.504 -1.603 -4.935) 7.565 5.885 ( -6.578 -9.498 -8.596) 14.400 11.429 ( 0.103 0.728 -1.229) 1.432 11.480 ( -1.473 3.545 -0.967) 3.959 11.506 ( 3.097 -2.907 -1.310) 4.445 11.546 ( 2.836 0.382 0.043) 2.862 11.623 ( 5.498 0.500 -1.762) 5.795 11.735 ( -0.877 -4.426 -3.249) 5.560 11.833 ( -3.132 2.660 -2.132) 4.629 11.845 ( -3.231 1.953 -2.147) 4.343 15.721 ( -1.533 0.462 0.864) 1.819 15.749 ( -1.718 -0.833 0.496) 1.973 15.763 ( -1.453 -0.306 0.798) 1.685 15.779 ( -1.655 -1.317 0.814) 2.266 15.914 ( 2.624 -0.111 0.318) 2.646 15.930 ( 2.499 -0.383 0.207) 2.536 15.953 ( 1.258 0.800 0.638) 1.622 15.996 ( 0.195 -0.550 1.720) 1.816 16.061 ( 0.392 1.606 0.352) 1.690 16.116 ( 0.275 0.292 0.653) 0.766 16.164 ( -2.667 -0.159 0.862) 2.808 16.184 ( -2.425 -1.924 2.469) 3.959 26.206 ( 0.066 0.104 0.151) 0.195 26.212 ( 0.170 -0.172 0.072) 0.253 26.214 ( -0.231 0.089 0.448) 0.513 26.221 ( -0.140 -0.221 0.303) 0.400 28.547 ( 4.594 -0.260 1.532) 4.850 28.568 ( 6.736 -1.526 0.258) 6.912 28.763 ( -3.566 -1.195 1.384) 4.007 28.829 ( -3.819 -3.803 -1.435) 5.577 28.875 ( 1.982 0.191 2.219) 2.981 28.978 ( -2.530 -1.748 3.442) 4.615 29.020 ( 1.946 -5.311 -0.265) 5.662 29.084 ( 0.277 -6.344 2.575) 6.852 29.950 ( 1.050 9.399 -6.263) 11.343 30.031 ( 1.474 6.630 -7.637) 10.220 30.179 ( -0.886 4.690 -0.968) 4.870 30.351 ( -5.684 -1.494 -4.473) 7.386 ======================= Grid point 47 (21/60) ======================= q-point: (-0.50 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( -9.484 6.376 6.953) 13.377 1.063 ( 9.484 6.376 6.953) 13.377 1.219 ( -9.714 8.049 2.914) 12.948 1.219 ( 9.714 8.049 2.914) 12.948 1.398 ( -4.603 -0.095 -0.313) 4.614 1.398 ( 4.603 -0.095 -0.313) 4.614 1.683 ( -4.013 -7.401 -0.486) 8.433 1.683 ( 4.013 -7.401 -0.486) 8.433 1.790 ( -0.570 -0.572 -1.953) 2.113 1.790 ( 0.570 -0.572 -1.953) 2.113 1.911 ( -0.895 -3.783 -0.535) 3.924 1.911 ( 0.895 -3.783 -0.535) 3.924 2.063 ( -2.081 6.744 -0.564) 7.080 2.063 ( 2.081 6.744 -0.564) 7.080 2.263 ( -3.094 1.887 -0.505) 3.659 2.263 ( 3.094 1.887 -0.505) 3.659 2.324 ( -6.201 4.168 1.341) 7.591 2.324 ( 6.201 4.168 1.341) 7.591 2.369 ( -2.865 1.653 0.238) 3.317 2.369 ( 2.865 1.653 0.238) 3.317 2.508 ( -3.819 1.504 -1.002) 4.225 2.508 ( 3.819 1.504 -1.002) 4.225 2.586 ( -3.479 1.333 -0.734) 3.798 2.586 ( 3.479 1.333 -0.734) 3.798 2.728 ( -1.226 -0.537 -4.388) 4.588 2.728 ( 1.226 -0.537 -4.388) 4.588 2.800 ( -1.546 -0.786 0.294) 1.759 2.800 ( 1.546 -0.786 0.294) 1.759 2.862 ( -0.950 -1.364 0.941) 1.910 2.862 ( 0.950 -1.364 0.941) 1.910 2.934 ( -1.994 1.692 3.661) 4.499 2.934 ( 1.994 1.692 3.661) 4.499 3.047 ( -1.064 1.717 2.046) 2.876 3.047 ( 1.064 1.717 2.046) 2.876 3.217 ( -3.582 2.293 1.122) 4.399 3.217 ( 3.582 2.293 1.122) 4.399 3.260 ( -1.100 1.662 -0.873) 2.176 3.260 ( 1.100 1.662 -0.873) 2.176 3.448 ( -6.518 -7.168 0.052) 9.689 3.448 ( 6.518 -7.168 0.052) 9.689 3.915 ( -1.691 0.718 0.690) 1.962 3.915 ( 1.691 0.718 0.690) 1.962 4.005 ( -3.274 -3.352 2.367) 5.249 4.005 ( 3.274 -3.352 2.367) 5.249 4.282 ( -2.977 2.709 1.972) 4.482 4.282 ( 2.977 2.709 1.972) 4.482 4.387 ( -1.808 0.019 -0.771) 1.966 4.387 ( 1.808 0.019 -0.771) 1.966 4.462 ( -2.781 1.663 1.416) 3.536 4.462 ( 2.781 1.663 1.416) 3.536 4.570 ( -2.192 0.144 1.187) 2.497 4.570 ( 2.192 0.144 1.187) 2.497 4.755 ( -2.797 -0.714 0.180) 2.892 4.755 ( 2.797 -0.714 0.180) 2.892 4.798 ( -3.119 -2.288 0.520) 3.903 4.798 ( 3.119 -2.288 0.520) 3.903 5.262 ( -8.298 11.134 -5.781) 15.041 5.262 ( 8.298 11.134 -5.781) 15.041 5.700 ( -10.260 -9.845 -8.570) 16.602 5.700 ( 10.260 -9.845 -8.570) 16.602 11.447 ( -1.406 2.466 -1.014) 3.014 11.447 ( 1.406 2.466 -1.014) 3.014 11.567 ( -1.666 -3.085 -0.727) 3.580 11.567 ( 1.666 -3.085 -0.727) 3.580 11.744 ( -5.027 1.633 -2.375) 5.795 11.744 ( 5.027 1.633 -2.375) 5.795 11.759 ( -3.518 0.583 -2.770) 4.515 11.759 ( 3.518 0.583 -2.770) 4.515 15.715 ( -0.969 -0.252 1.426) 1.743 15.715 ( 0.969 -0.252 1.426) 1.743 15.751 ( -0.540 -1.360 1.338) 1.983 15.751 ( 0.540 -1.360 1.338) 1.983 15.954 ( -0.851 0.913 0.411) 1.315 15.954 ( 0.851 0.913 0.411) 1.315 15.984 ( -1.327 -0.589 0.662) 1.596 15.984 ( 1.327 -0.589 0.662) 1.596 16.095 ( -2.718 0.822 0.395) 2.867 16.095 ( 2.718 0.822 0.395) 2.867 16.139 ( -1.496 -1.251 1.661) 2.562 16.139 ( 1.496 -1.251 1.661) 2.562 26.209 ( -0.197 0.119 0.263) 0.350 26.209 ( 0.197 0.119 0.263) 0.350 26.217 ( -0.222 -0.232 0.157) 0.357 26.217 ( 0.222 -0.232 0.157) 0.357 28.658 ( -4.531 -0.197 1.010) 4.646 28.658 ( 4.531 -0.197 1.010) 4.646 28.723 ( -5.459 -3.784 -0.401) 6.655 28.723 ( 5.459 -3.784 -0.401) 6.655 28.922 ( -2.434 -0.087 2.598) 3.561 28.922 ( 2.434 -0.087 2.598) 3.561 29.065 ( -1.848 -6.233 0.717) 6.541 29.065 ( 1.848 -6.233 0.717) 6.541 30.003 ( -3.208 10.043 -4.597) 11.502 30.003 ( 3.208 10.043 -4.597) 11.502 30.227 ( -4.982 -0.025 -4.295) 6.578 30.227 ( 4.982 -0.025 -4.295) 6.578 ======================= Grid point 50 (22/60) ======================= q-point: ( 0.00 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( 0.000 -13.407 -0.298) 13.411 1.194 ( 0.000 13.407 -0.298) 13.411 1.283 ( 0.000 -8.133 -0.147) 8.134 1.283 ( 0.000 8.133 -0.147) 8.134 1.441 ( 0.000 -1.169 4.429) 4.580 1.441 ( 0.000 1.169 4.429) 4.580 1.701 ( 0.000 -0.462 -7.586) 7.600 1.701 ( 0.000 0.462 -7.586) 7.600 1.847 ( 0.000 -4.121 -3.309) 5.286 1.847 ( 0.000 4.121 -3.309) 5.286 1.924 ( 0.000 -7.534 2.268) 7.868 1.924 ( 0.000 7.534 2.268) 7.868 2.032 ( 0.000 -9.653 3.536) 10.280 2.032 ( 0.000 9.653 3.536) 10.280 2.085 ( 0.000 -2.500 2.469) 3.513 2.085 ( 0.000 2.500 2.469) 3.513 2.227 ( 0.000 -0.196 -2.164) 2.173 2.227 ( 0.000 0.196 -2.164) 2.173 2.357 ( 0.000 -2.179 -1.798) 2.825 2.357 ( 0.000 2.179 -1.798) 2.825 2.478 ( 0.000 -3.674 -0.439) 3.700 2.478 ( 0.000 3.674 -0.439) 3.700 2.635 ( 0.000 -2.097 -6.282) 6.623 2.635 ( 0.000 2.097 -6.282) 6.623 2.670 ( 0.000 -3.965 3.321) 5.172 2.670 ( 0.000 3.965 3.321) 5.172 2.825 ( 0.000 -0.102 -2.398) 2.400 2.825 ( 0.000 0.102 -2.398) 2.400 2.904 ( 0.000 -3.579 0.810) 3.669 2.904 ( 0.000 3.579 0.810) 3.669 2.955 ( 0.000 -1.076 3.923) 4.068 2.955 ( 0.000 1.076 3.923) 4.068 3.030 ( 0.000 -4.010 4.350) 5.916 3.030 ( 0.000 4.010 4.350) 5.916 3.129 ( 0.000 -0.849 3.475) 3.577 3.129 ( 0.000 0.849 3.475) 3.577 3.373 ( 0.000 -2.415 3.167) 3.982 3.373 ( 0.000 2.415 3.167) 3.982 3.590 ( 0.000 -0.186 1.064) 1.080 3.590 ( 0.000 0.186 1.064) 1.080 3.911 ( 0.000 -0.900 -2.100) 2.285 3.911 ( 0.000 0.900 -2.100) 2.285 4.039 ( 0.000 -3.565 2.806) 4.537 4.039 ( 0.000 3.565 2.806) 4.537 4.241 ( 0.000 -3.567 -0.390) 3.589 4.241 ( 0.000 3.567 -0.390) 3.589 4.375 ( 0.000 -1.403 0.126) 1.408 4.375 ( 0.000 1.403 0.126) 1.408 4.498 ( 0.000 -2.036 -0.949) 2.246 4.498 ( 0.000 2.036 -0.949) 2.246 4.587 ( 0.000 -1.447 0.802) 1.655 4.587 ( 0.000 1.447 0.802) 1.655 4.670 ( 0.000 -1.259 0.581) 1.386 4.670 ( 0.000 1.259 0.581) 1.386 4.820 ( 0.000 -2.326 -0.517) 2.383 4.820 ( 0.000 2.326 -0.517) 2.383 5.191 ( 0.000 -1.322 -5.187) 5.352 5.191 ( 0.000 1.322 -5.187) 5.352 5.748 ( 0.000 -11.977 -6.942) 13.843 5.748 ( 0.000 11.977 -6.942) 13.843 11.435 ( 0.000 -0.314 -1.189) 1.230 11.435 ( 0.000 0.314 -1.189) 1.230 11.528 ( 0.000 -1.127 -0.039) 1.128 11.528 ( 0.000 1.127 -0.039) 1.128 11.626 ( 0.000 -6.483 -2.496) 6.947 11.626 ( 0.000 6.483 -2.496) 6.947 11.901 ( 0.000 -0.271 -2.389) 2.404 11.901 ( 0.000 0.271 -2.389) 2.404 15.766 ( 0.000 -0.339 -0.093) 0.351 15.766 ( 0.000 0.339 -0.093) 0.351 15.785 ( 0.000 -0.332 -0.373) 0.499 15.785 ( 0.000 0.332 -0.373) 0.499 15.879 ( 0.000 -1.108 0.318) 1.152 15.879 ( 0.000 1.108 0.318) 1.152 15.963 ( 0.000 -1.662 1.842) 2.481 15.963 ( 0.000 1.662 1.842) 2.481 16.099 ( 0.000 -2.109 0.989) 2.329 16.099 ( 0.000 2.109 0.989) 2.329 16.194 ( 0.000 -0.213 1.548) 1.562 16.194 ( 0.000 0.213 1.548) 1.562 26.208 ( 0.000 -0.128 0.092) 0.158 26.208 ( 0.000 0.128 0.092) 0.158 26.219 ( 0.000 -0.151 0.473) 0.496 26.219 ( 0.000 0.151 0.473) 0.496 28.488 ( 0.000 -0.304 1.642) 1.670 28.488 ( 0.000 0.304 1.642) 1.670 28.813 ( 0.000 -1.835 0.168) 1.843 28.813 ( 0.000 1.835 0.168) 1.843 28.890 ( 0.000 -4.003 1.084) 4.147 28.890 ( 0.000 4.003 1.084) 4.147 29.005 ( 0.000 -1.226 3.145) 3.376 29.005 ( 0.000 1.226 3.145) 3.376 30.045 ( 0.000 -0.899 -8.933) 8.978 30.045 ( 0.000 0.899 -8.933) 8.978 30.331 ( 0.000 -5.863 -1.718) 6.110 30.331 ( 0.000 5.863 -1.718) 6.110 ======================= Grid point 52 (23/60) ======================= q-point: ( 0.25 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( -0.040 -11.382 -0.054) 11.382 1.178 ( -0.040 11.382 -0.054) 11.382 1.285 ( -1.989 -5.125 3.404) 6.466 1.285 ( -1.989 5.125 3.404) 6.466 1.420 ( 0.472 -4.013 2.962) 5.010 1.420 ( 0.472 4.013 2.962) 5.010 1.646 ( -5.448 -3.959 -3.857) 7.761 1.646 ( -5.448 3.959 -3.857) 7.761 1.821 ( -0.914 -2.053 -0.907) 2.423 1.821 ( -0.914 2.053 -0.907) 2.423 1.877 ( -2.956 -2.173 1.601) 4.002 1.877 ( -2.956 2.173 1.601) 4.002 2.105 ( 4.758 -3.679 -0.229) 6.018 2.105 ( 4.758 3.679 -0.229) 6.018 2.173 ( 5.999 -5.878 3.070) 8.942 2.173 ( 5.999 5.878 3.070) 8.942 2.281 ( 3.945 -0.897 -3.491) 5.344 2.281 ( 3.945 0.897 -3.491) 5.344 2.392 ( 2.664 -4.941 -4.033) 6.912 2.392 ( 2.664 4.941 -4.033) 6.912 2.484 ( 1.541 -3.077 -0.178) 3.446 2.484 ( 1.541 3.077 -0.178) 3.446 2.619 ( -0.700 -2.037 -1.873) 2.855 2.619 ( -0.700 2.037 -1.873) 2.855 2.704 ( 1.707 -1.363 -0.312) 2.207 2.704 ( 1.707 1.363 -0.312) 2.207 2.798 ( -2.556 -2.328 -0.672) 3.522 2.798 ( -2.556 2.328 -0.672) 3.522 2.883 ( -0.669 -4.103 2.741) 4.979 2.883 ( -0.669 4.103 2.741) 4.979 2.959 ( 0.340 -4.127 1.567) 4.427 2.959 ( 0.340 4.127 1.567) 4.427 3.051 ( 1.875 -4.941 2.494) 5.844 3.051 ( 1.875 4.941 2.494) 5.844 3.163 ( 1.953 -1.507 3.782) 4.515 3.163 ( 1.953 1.507 3.782) 4.515 3.367 ( -1.946 -3.781 0.610) 4.296 3.367 ( -1.946 3.781 0.610) 4.296 3.460 ( -8.758 -8.508 1.442) 12.295 3.460 ( -8.758 8.508 1.442) 12.295 3.912 ( 0.498 -1.366 -0.351) 1.495 3.912 ( 0.498 1.366 -0.351) 1.495 4.008 ( -2.539 -3.007 3.095) 5.007 4.008 ( -2.539 3.007 3.095) 5.007 4.269 ( 2.642 -3.375 -0.099) 4.287 4.269 ( 2.642 3.375 -0.099) 4.287 4.394 ( 0.024 -1.597 -0.443) 1.657 4.394 ( 0.024 1.597 -0.443) 1.657 4.502 ( 0.648 -3.310 -0.187) 3.378 4.502 ( 0.648 3.310 -0.187) 3.378 4.563 ( -1.531 -2.669 2.006) 3.673 4.563 ( -1.531 2.669 2.006) 3.673 4.699 ( 2.378 -1.157 0.687) 2.732 4.699 ( 2.378 1.157 0.687) 2.732 4.809 ( -1.378 -1.553 -0.069) 2.078 4.809 ( -1.378 1.553 -0.069) 2.078 5.284 ( 8.051 -8.494 -6.611) 13.441 5.284 ( 8.051 8.494 -6.611) 13.441 5.673 ( -6.659 -11.683 -7.259) 15.281 5.673 ( -6.659 11.683 -7.259) 15.281 11.456 ( 1.811 -1.976 -1.118) 2.904 11.456 ( 1.811 1.976 -1.118) 2.904 11.539 ( -0.323 -1.534 -0.262) 1.589 11.539 ( -0.323 1.534 -0.262) 1.589 11.654 ( 3.537 -3.139 -2.754) 5.473 11.654 ( 3.537 3.139 -2.754) 5.473 11.863 ( -3.416 -0.262 -2.527) 4.257 11.863 ( -3.416 0.262 -2.527) 4.257 15.735 ( -1.573 -0.716 0.660) 1.850 15.735 ( -1.573 0.716 0.660) 1.850 15.761 ( -1.964 -0.382 0.836) 2.169 15.761 ( -1.964 0.382 0.836) 2.169 15.919 ( 2.818 -0.613 0.060) 2.884 15.919 ( 2.818 0.613 0.060) 2.884 15.975 ( 0.681 -1.278 1.135) 1.840 15.975 ( 0.681 1.278 1.135) 1.840 16.100 ( 0.162 -1.884 0.920) 2.102 16.100 ( 0.162 1.884 0.920) 2.102 16.162 ( -2.473 -0.307 1.449) 2.883 16.162 ( -2.473 0.307 1.449) 2.883 26.209 ( 0.107 -0.167 0.112) 0.228 26.209 ( 0.107 0.167 0.112) 0.228 26.217 ( -0.183 -0.187 0.372) 0.455 26.217 ( -0.183 0.187 0.372) 0.455 28.549 ( 5.083 -0.484 1.341) 5.279 28.549 ( 5.083 0.484 1.341) 5.279 28.768 ( -3.604 -1.826 0.582) 4.082 28.768 ( -3.604 1.826 0.582) 4.082 28.919 ( 2.012 -3.949 0.870) 4.517 28.919 ( 2.012 3.949 0.870) 4.517 28.994 ( -1.019 -2.682 2.562) 3.847 28.994 ( -1.019 2.682 2.562) 3.847 30.076 ( 2.933 -2.666 -7.653) 8.618 30.076 ( 2.933 2.666 -7.653) 8.618 30.277 ( -4.575 -5.200 -2.477) 7.356 30.277 ( -4.575 5.200 -2.477) 7.356 ======================= Grid point 54 (24/60) ======================= q-point: (-0.50 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( -3.174 -7.390 2.550) 8.438 1.212 ( 3.157 -7.388 2.550) 8.429 1.212 ( -3.157 7.388 2.550) 8.429 1.212 ( 3.174 7.390 2.550) 8.438 1.504 ( -6.008 -9.740 1.971) 11.613 1.504 ( 4.766 -9.567 1.971) 10.869 1.504 ( -4.766 9.567 1.971) 10.869 1.504 ( 6.008 9.740 1.971) 11.613 1.828 ( -0.805 -3.768 -0.492) 3.885 1.828 ( 0.301 -3.750 -0.492) 3.794 1.828 ( -0.301 3.750 -0.492) 3.794 1.828 ( 0.805 3.768 -0.492) 3.885 2.195 ( -2.390 -5.949 -0.152) 6.413 2.195 ( 1.592 -5.882 -0.152) 6.096 2.195 ( -1.592 5.882 -0.152) 6.096 2.195 ( 2.390 5.949 -0.152) 6.413 2.385 ( -3.633 -2.341 -2.891) 5.200 2.385 ( 2.171 -1.833 -2.891) 4.054 2.385 ( -2.171 1.833 -2.891) 4.054 2.385 ( 3.633 2.341 -2.891) 5.200 2.576 ( -4.455 -3.159 -1.136) 5.579 2.576 ( 3.173 -2.745 -1.136) 4.347 2.576 ( -3.173 2.745 -1.136) 4.347 2.576 ( 4.455 3.159 -1.136) 5.579 2.744 ( -2.198 -2.805 -1.983) 4.078 2.744 ( 0.291 -2.585 -1.983) 3.270 2.744 ( -0.291 2.585 -1.983) 3.270 2.744 ( 2.198 2.805 -1.983) 4.078 2.918 ( -3.739 -4.006 3.339) 6.417 2.918 ( 2.186 -3.708 3.339) 5.447 2.918 ( -2.186 3.708 3.339) 5.447 2.918 ( 3.739 4.006 3.339) 6.417 3.119 ( -4.709 -6.462 2.925) 8.514 3.119 ( 4.631 -6.448 2.925) 8.461 3.119 ( -4.631 6.448 2.925) 8.461 3.119 ( 4.709 6.462 2.925) 8.514 3.348 ( -3.115 -4.169 -0.290) 5.212 3.348 ( 2.660 -4.089 -0.290) 4.887 3.348 ( -2.660 4.089 -0.290) 4.887 3.348 ( 3.115 4.169 -0.290) 5.212 3.947 ( -2.590 -2.401 2.388) 4.264 3.947 ( 1.945 -2.243 2.388) 3.810 3.947 ( -1.945 2.243 2.388) 3.810 3.947 ( 2.590 2.401 2.388) 4.264 4.344 ( -3.469 -3.186 -0.218) 4.715 4.344 ( 1.229 -2.742 -0.218) 3.013 4.344 ( -1.229 2.742 -0.218) 3.013 4.344 ( 3.469 3.186 -0.218) 4.715 4.531 ( -1.612 -3.728 1.694) 4.401 4.531 ( 1.605 -3.728 1.694) 4.398 4.531 ( -1.605 3.728 1.694) 4.398 4.531 ( 1.612 3.728 1.694) 4.401 4.760 ( -2.856 -1.197 0.378) 3.120 4.760 ( -1.565 -0.070 0.378) 1.612 4.760 ( 1.565 0.070 0.378) 1.612 4.760 ( 2.856 1.197 0.378) 3.120 5.488 ( -9.818 -11.377 -7.574) 16.828 5.488 ( 8.973 -11.201 -7.574) 16.228 5.488 ( -8.973 11.201 -7.574) 16.228 5.488 ( 9.818 11.377 -7.574) 16.828 11.504 ( -2.398 -3.189 -0.878) 4.086 11.504 ( 2.383 -3.187 -0.878) 4.075 11.504 ( -2.383 3.187 -0.878) 4.075 11.504 ( 2.398 3.189 -0.878) 4.086 11.763 ( -5.595 -0.275 -2.712) 6.224 11.763 ( -5.594 0.267 -2.712) 6.222 11.763 ( 5.594 -0.267 -2.712) 6.222 11.763 ( 5.595 0.275 -2.712) 6.224 15.726 ( -0.645 -1.069 1.465) 1.925 15.726 ( 0.168 -1.023 1.465) 1.795 15.726 ( -0.168 1.023 1.465) 1.795 15.726 ( 0.645 1.069 1.465) 1.925 15.970 ( -1.421 -0.744 0.364) 1.644 15.970 ( -0.307 -0.269 0.364) 0.547 15.970 ( 0.307 0.269 0.364) 0.547 15.970 ( 1.421 0.744 0.364) 1.644 16.115 ( -1.501 -1.180 1.090) 2.198 16.115 ( 1.209 -1.093 1.090) 1.960 16.115 ( -1.209 1.093 1.090) 1.960 16.115 ( 1.501 1.180 1.090) 2.198 26.212 ( -0.201 -0.210 0.203) 0.355 26.212 ( 0.201 -0.210 0.203) 0.355 26.212 ( -0.201 0.210 0.203) 0.355 26.212 ( 0.201 0.210 0.203) 0.355 28.669 ( -5.422 -1.508 0.937) 5.705 28.669 ( -4.859 0.909 0.937) 5.031 28.669 ( 4.859 -0.909 0.937) 5.031 28.669 ( 5.422 1.508 0.937) 5.705 28.962 ( -1.867 -3.866 1.407) 4.518 28.962 ( 1.826 -3.862 1.407) 4.497 28.962 ( -1.826 3.862 1.407) 4.497 28.962 ( 1.867 3.866 1.407) 4.518 30.166 ( -4.344 -5.856 -4.804) 8.732 30.166 ( 1.678 -5.503 -4.804) 7.495 30.166 ( -1.678 5.503 -4.804) 7.495 30.166 ( 4.344 5.856 -4.804) 8.732 ======================= Grid point 70 (25/60) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.833 ( 0.000 0.000 19.686) 19.686 0.900 ( 0.000 0.000 19.179) 19.179 1.224 ( 0.000 0.000 -9.593) 9.593 1.288 ( 0.000 0.000 2.182) 2.182 1.437 ( 0.000 0.000 -5.953) 5.953 1.464 ( 0.000 0.000 -3.099) 3.099 1.485 ( 0.000 0.000 33.793) 33.793 1.569 ( 0.000 0.000 -13.848) 13.848 1.720 ( 0.000 0.000 -4.713) 4.713 1.807 ( 0.000 0.000 -0.540) 0.540 1.836 ( 0.000 0.000 -1.116) 1.116 1.868 ( 0.000 0.000 -1.062) 1.062 1.879 ( 0.000 0.000 0.643) 0.643 2.063 ( 0.000 0.000 -1.813) 1.813 2.071 ( 0.000 0.000 -1.601) 1.601 2.271 ( 0.000 0.000 -1.035) 1.035 2.317 ( 0.000 0.000 0.431) 0.431 2.354 ( 0.000 0.000 2.964) 2.964 2.380 ( 0.000 0.000 2.045) 2.045 2.416 ( 0.000 0.000 -3.714) 3.714 2.466 ( 0.000 0.000 1.465) 1.465 2.500 ( 0.000 0.000 -7.445) 7.445 2.598 ( 0.000 0.000 0.521) 0.521 2.643 ( 0.000 0.000 0.700) 0.700 2.683 ( 0.000 0.000 -1.288) 1.288 2.756 ( 0.000 0.000 -3.006) 3.006 2.771 ( 0.000 0.000 -0.827) 0.827 2.797 ( 0.000 0.000 -2.689) 2.689 2.809 ( 0.000 0.000 -0.803) 0.803 2.841 ( 0.000 0.000 -1.499) 1.499 2.961 ( 0.000 0.000 8.083) 8.083 2.963 ( 0.000 0.000 0.784) 0.784 3.002 ( 0.000 0.000 1.970) 1.970 3.042 ( 0.000 0.000 -1.320) 1.320 3.106 ( 0.000 0.000 1.422) 1.422 3.110 ( 0.000 0.000 -2.985) 2.985 3.190 ( 0.000 0.000 3.635) 3.635 3.413 ( 0.000 0.000 3.020) 3.020 3.455 ( 0.000 0.000 4.244) 4.244 3.640 ( 0.000 0.000 -2.222) 2.222 3.885 ( 0.000 0.000 -4.999) 4.999 3.909 ( 0.000 0.000 -5.656) 5.656 4.030 ( 0.000 0.000 10.183) 10.183 4.182 ( 0.000 0.000 -3.021) 3.021 4.206 ( 0.000 0.000 3.988) 3.988 4.248 ( 0.000 0.000 0.181) 0.181 4.335 ( 0.000 0.000 -0.305) 0.305 4.384 ( 0.000 0.000 -1.796) 1.796 4.389 ( 0.000 0.000 2.532) 2.532 4.511 ( 0.000 0.000 -0.616) 0.616 4.554 ( 0.000 0.000 -0.322) 0.322 4.648 ( 0.000 0.000 0.910) 0.910 4.709 ( 0.000 0.000 0.896) 0.896 4.711 ( 0.000 0.000 -1.215) 1.215 4.725 ( 0.000 0.000 4.904) 4.904 4.964 ( 0.000 0.000 -3.678) 3.678 5.012 ( 0.000 0.000 -7.777) 7.777 5.198 ( 0.000 0.000 -1.640) 1.640 5.284 ( 0.000 0.000 -4.056) 4.056 5.927 ( 0.000 0.000 -14.266) 14.266 11.419 ( 0.000 0.000 -2.865) 2.865 11.456 ( 0.000 0.000 1.793) 1.793 11.462 ( 0.000 0.000 -2.852) 2.852 11.493 ( 0.000 0.000 0.605) 0.605 11.558 ( 0.000 0.000 -0.695) 0.695 11.762 ( 0.000 0.000 0.132) 0.132 11.782 ( 0.000 0.000 -5.316) 5.316 11.797 ( 0.000 0.000 -0.629) 0.629 15.742 ( 0.000 0.000 0.473) 0.473 15.775 ( 0.000 0.000 0.792) 0.792 15.823 ( 0.000 0.000 0.586) 0.586 15.891 ( 0.000 0.000 -0.267) 0.267 15.919 ( 0.000 0.000 0.488) 0.488 15.925 ( 0.000 0.000 -1.020) 1.020 15.951 ( 0.000 0.000 3.185) 3.185 15.958 ( 0.000 0.000 2.785) 2.785 15.996 ( 0.000 0.000 2.610) 2.610 16.138 ( 0.000 0.000 2.101) 2.101 16.173 ( 0.000 0.000 -1.302) 1.302 16.274 ( 0.000 0.000 -2.103) 2.103 26.209 ( 0.000 0.000 0.289) 0.289 26.216 ( 0.000 0.000 0.219) 0.219 26.232 ( 0.000 0.000 0.727) 0.727 26.234 ( 0.000 0.000 0.323) 0.323 28.510 ( 0.000 0.000 2.392) 2.392 28.559 ( 0.000 0.000 3.418) 3.418 28.879 ( 0.000 0.000 -4.077) 4.077 28.921 ( 0.000 0.000 -1.231) 1.231 29.014 ( 0.000 0.000 -0.063) 0.063 29.139 ( 0.000 0.000 3.112) 3.112 29.151 ( 0.000 0.000 -3.187) 3.187 29.386 ( 0.000 0.000 -0.223) 0.223 29.454 ( 0.000 0.000 -1.173) 1.173 29.752 ( 0.000 0.000 -7.436) 7.436 29.954 ( 0.000 0.000 1.701) 1.701 30.242 ( 0.000 0.000 -4.860) 4.860 ======================= Grid point 71 (26/60) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( 2.821 0.000 18.356) 18.571 1.013 ( 9.827 0.000 15.867) 18.663 1.208 ( -0.364 0.000 -6.328) 6.339 1.272 ( -2.142 0.000 -2.532) 3.317 1.313 ( -12.935 0.000 2.267) 13.133 1.446 ( -0.445 0.000 -3.700) 3.727 1.571 ( -0.325 0.000 -11.097) 11.102 1.707 ( 10.571 0.000 13.956) 17.508 1.715 ( -9.505 0.000 1.622) 9.642 1.774 ( 6.212 0.000 0.459) 6.229 1.804 ( 4.684 0.000 3.829) 6.050 1.868 ( 3.971 0.000 -3.506) 5.298 1.967 ( 5.107 0.000 -0.656) 5.149 2.052 ( -2.287 0.000 -0.938) 2.472 2.100 ( 1.214 0.000 -4.807) 4.958 2.263 ( -0.499 0.000 -0.521) 0.722 2.336 ( -3.448 0.000 2.328) 4.160 2.350 ( -0.757 0.000 2.102) 2.234 2.387 ( 4.538 0.000 0.094) 4.539 2.406 ( -1.271 0.000 0.764) 1.483 2.463 ( 3.429 0.000 -3.341) 4.787 2.561 ( -3.302 0.000 -1.199) 3.513 2.564 ( 2.389 0.000 -6.195) 6.640 2.640 ( 0.491 0.000 1.082) 1.189 2.665 ( -7.120 0.000 4.630) 8.494 2.694 ( -2.571 0.000 -2.134) 3.342 2.753 ( 0.057 0.000 -0.963) 0.965 2.807 ( 3.280 0.000 -1.753) 3.720 2.815 ( -1.458 0.000 -3.451) 3.747 2.890 ( 1.230 0.000 -1.518) 1.954 2.932 ( -1.654 0.000 4.882) 5.155 2.959 ( 1.917 0.000 1.666) 2.540 3.003 ( -8.466 0.000 6.576) 10.720 3.029 ( 1.510 0.000 1.180) 1.917 3.046 ( 0.381 0.000 0.075) 0.388 3.104 ( -0.426 0.000 1.176) 1.251 3.217 ( 2.648 0.000 -3.322) 4.248 3.306 ( -3.510 0.000 7.368) 8.161 3.517 ( 2.193 0.000 -1.169) 2.485 3.643 ( -0.231 0.000 -3.776) 3.783 3.874 ( -2.129 0.000 -3.731) 4.296 3.920 ( 1.022 0.000 -3.275) 3.431 4.065 ( 1.467 0.000 5.400) 5.596 4.156 ( -1.853 0.000 -1.957) 2.695 4.210 ( 0.381 0.000 3.401) 3.422 4.240 ( -0.710 0.000 0.793) 1.065 4.347 ( 1.163 0.000 -0.470) 1.254 4.389 ( 0.087 0.000 -1.272) 1.275 4.441 ( 3.558 0.000 3.054) 4.689 4.526 ( -0.293 0.000 0.785) 0.838 4.554 ( 2.258 0.000 0.040) 2.259 4.651 ( 0.941 0.000 0.061) 0.943 4.696 ( 1.442 0.000 2.422) 2.819 4.725 ( 0.430 0.000 -0.555) 0.703 4.788 ( 2.069 0.000 1.875) 2.792 4.944 ( -1.181 0.000 -4.019) 4.189 4.991 ( -1.794 0.000 -5.711) 5.986 5.013 ( -8.946 0.000 1.491) 9.069 5.489 ( 10.722 0.000 -9.043) 14.027 5.854 ( -6.078 0.000 -14.324) 15.560 11.385 ( -1.193 0.000 -1.627) 2.017 11.422 ( -2.440 0.000 1.900) 3.093 11.536 ( 3.761 0.000 0.439) 3.787 11.536 ( 4.951 0.000 -4.229) 6.511 11.591 ( 2.919 0.000 -0.632) 2.987 11.726 ( -3.212 0.000 0.113) 3.214 11.744 ( -3.400 0.000 -5.289) 6.287 11.759 ( -3.293 0.000 -0.588) 3.345 15.744 ( 0.457 0.000 0.955) 1.058 15.779 ( -0.373 0.000 1.044) 1.108 15.829 ( 0.533 0.000 0.796) 0.958 15.872 ( -1.266 0.000 0.870) 1.536 15.922 ( 0.311 0.000 0.415) 0.518 15.929 ( 0.124 0.000 -0.220) 0.253 15.979 ( 2.117 0.000 2.473) 3.255 16.000 ( 3.234 0.000 1.171) 3.440 16.021 ( 1.718 0.000 1.721) 2.432 16.136 ( 0.457 0.000 1.359) 1.433 16.146 ( -2.427 0.000 -1.022) 2.634 16.247 ( -2.367 0.000 -1.180) 2.645 26.210 ( 0.142 0.000 0.328) 0.358 26.219 ( 0.292 0.000 0.203) 0.355 26.225 ( -0.458 0.000 0.568) 0.729 26.233 ( -0.192 0.000 0.338) 0.389 28.579 ( 5.384 0.000 0.361) 5.396 28.609 ( 4.334 0.000 2.586) 5.047 28.841 ( -3.329 0.000 -3.143) 4.578 28.875 ( -4.036 0.000 -1.288) 4.236 29.025 ( 1.037 0.000 -0.126) 1.045 29.113 ( -2.699 0.000 -1.714) 3.198 29.167 ( 2.806 0.000 3.128) 4.202 29.386 ( -5.491 0.000 -0.047) 5.491 29.457 ( 5.631 0.000 -2.271) 6.071 29.707 ( -4.080 0.000 -6.758) 7.894 30.006 ( 4.212 0.000 0.555) 4.248 30.198 ( -3.598 0.000 -3.272) 4.863 ======================= Grid point 72 (27/60) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( -13.499 0.000 9.807) 16.686 1.009 ( 13.499 0.000 9.807) 16.686 1.216 ( -3.062 0.000 -3.336) 4.528 1.216 ( 3.062 0.000 -3.336) 4.528 1.284 ( -12.028 0.000 7.692) 14.277 1.284 ( 12.028 0.000 7.692) 14.277 1.596 ( -2.842 0.000 -8.819) 9.265 1.596 ( 2.842 0.000 -8.819) 9.265 1.781 ( -1.216 0.000 -3.975) 4.157 1.781 ( 1.216 0.000 -3.975) 4.157 1.972 ( -4.935 0.000 -1.275) 5.097 1.972 ( 4.935 0.000 -1.275) 5.097 2.059 ( -2.452 0.000 -3.209) 4.039 2.059 ( 2.452 0.000 -3.209) 4.039 2.187 ( -15.739 0.000 16.244) 22.618 2.187 ( 15.739 0.000 16.244) 22.618 2.272 ( -1.817 0.000 1.026) 2.087 2.272 ( 1.817 0.000 1.026) 2.087 2.462 ( -6.551 0.000 1.016) 6.630 2.462 ( 6.551 0.000 1.016) 6.630 2.479 ( -4.118 0.000 -0.457) 4.143 2.479 ( 4.118 0.000 -0.457) 4.143 2.551 ( -3.580 0.000 -9.181) 9.854 2.551 ( 3.580 0.000 -9.181) 9.854 2.660 ( -1.171 0.000 -1.476) 1.885 2.660 ( 1.171 0.000 -1.476) 1.885 2.809 ( -4.316 0.000 4.827) 6.475 2.809 ( 4.316 0.000 4.827) 6.475 2.866 ( -2.146 0.000 -1.075) 2.400 2.866 ( 2.146 0.000 -1.075) 2.400 2.883 ( -2.203 0.000 1.352) 2.585 2.883 ( 2.203 0.000 1.352) 2.585 3.018 ( -2.050 0.000 1.060) 2.308 3.018 ( 2.050 0.000 1.060) 2.308 3.080 ( -1.773 0.000 0.970) 2.021 3.080 ( 1.773 0.000 0.970) 2.021 3.266 ( -1.504 0.000 1.927) 2.444 3.266 ( 1.504 0.000 1.927) 2.444 3.588 ( -4.409 0.000 -3.897) 5.884 3.588 ( 4.409 0.000 -3.897) 5.884 3.885 ( -3.036 0.000 -1.219) 3.271 3.885 ( 3.036 0.000 -1.219) 3.271 4.106 ( -2.747 0.000 -0.508) 2.793 4.106 ( 2.747 0.000 -0.508) 2.793 4.223 ( -0.794 0.000 2.104) 2.249 4.223 ( 0.794 0.000 2.104) 2.249 4.376 ( -1.256 0.000 -0.618) 1.400 4.376 ( 1.256 0.000 -0.618) 1.400 4.490 ( -1.619 0.000 2.562) 3.030 4.490 ( 1.619 0.000 2.562) 3.030 4.672 ( -5.102 0.000 3.217) 6.032 4.672 ( 5.102 0.000 3.217) 6.032 4.696 ( -2.694 0.000 -1.783) 3.231 4.696 ( 2.694 0.000 -1.783) 3.231 4.855 ( -5.587 0.000 1.672) 5.832 4.855 ( 5.587 0.000 1.672) 5.832 4.949 ( -1.669 0.000 -3.695) 4.054 4.949 ( 1.669 0.000 -3.695) 4.054 5.696 ( -8.545 0.000 -13.228) 15.748 5.696 ( 8.545 0.000 -13.228) 15.748 11.382 ( -0.948 0.000 0.174) 0.964 11.382 ( 0.948 0.000 0.174) 0.964 11.635 ( -4.899 0.000 0.157) 4.902 11.635 ( 4.899 0.000 0.157) 4.902 11.649 ( -5.229 0.000 -4.983) 7.223 11.649 ( 5.229 0.000 -4.983) 7.223 11.673 ( -4.297 0.000 -0.532) 4.330 11.673 ( 4.297 0.000 -0.532) 4.330 15.761 ( -1.000 0.000 1.340) 1.672 15.761 ( 1.000 0.000 1.340) 1.672 15.846 ( -1.063 0.000 1.123) 1.546 15.846 ( 1.063 0.000 1.123) 1.546 15.928 ( -0.205 0.000 0.378) 0.430 15.928 ( 0.205 0.000 0.378) 0.430 16.022 ( -1.554 0.000 1.981) 2.518 16.022 ( 1.554 0.000 1.981) 2.518 16.078 ( -3.712 0.000 -0.209) 3.717 16.078 ( 3.712 0.000 -0.209) 3.717 16.183 ( -3.310 0.000 -0.151) 3.314 16.183 ( 3.310 0.000 -0.151) 3.314 26.216 ( -0.374 0.000 0.430) 0.570 26.216 ( 0.374 0.000 0.430) 0.570 26.226 ( -0.365 0.000 0.225) 0.429 26.226 ( 0.365 0.000 0.225) 0.429 28.680 ( -1.467 0.000 0.296) 1.497 28.680 ( 1.467 0.000 0.296) 1.497 28.787 ( -1.663 0.000 -1.619) 2.321 28.787 ( 1.663 0.000 -1.619) 2.321 29.059 ( -2.123 0.000 -0.508) 2.183 29.059 ( 2.123 0.000 -0.508) 2.183 29.260 ( -5.629 0.000 1.849) 5.925 29.260 ( 5.629 0.000 1.849) 5.925 29.591 ( -6.332 0.000 -4.907) 8.011 29.591 ( 6.332 0.000 -4.907) 8.011 30.106 ( -4.765 0.000 -1.256) 4.927 30.106 ( 4.765 0.000 -1.256) 4.927 ======================= Grid point 75 (28/60) ======================= q-point: ( 0.00 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( 0.000 1.379 19.228) 19.277 0.919 ( 0.000 8.153 15.987) 17.946 1.277 ( 0.000 4.322 -8.274) 9.334 1.308 ( 0.000 2.271 3.413) 4.100 1.459 ( 0.000 2.134 -3.536) 4.131 1.519 ( 0.000 5.043 -4.576) 6.810 1.532 ( 0.000 0.051 -9.613) 9.613 1.650 ( 0.000 9.219 17.367) 19.662 1.787 ( 0.000 0.589 3.489) 3.539 1.802 ( 0.000 -2.751 4.188) 5.010 1.815 ( 0.000 -1.292 -2.694) 2.988 1.830 ( 0.000 4.777 -4.820) 6.786 1.919 ( 0.000 2.093 -1.806) 2.765 2.014 ( 0.000 -2.278 -0.394) 2.311 2.092 ( 0.000 0.589 -3.549) 3.598 2.228 ( 0.000 -5.759 4.388) 7.240 2.248 ( 0.000 -3.095 -1.912) 3.638 2.302 ( 0.000 -1.266 -0.653) 1.424 2.388 ( 0.000 -4.035 -0.475) 4.063 2.447 ( 0.000 2.778 -0.088) 2.779 2.515 ( 0.000 0.583 -3.661) 3.707 2.519 ( 0.000 3.940 -1.195) 4.118 2.576 ( 0.000 -3.118 1.307) 3.381 2.582 ( 0.000 -4.864 0.896) 4.945 2.622 ( 0.000 -4.464 -4.010) 6.000 2.712 ( 0.000 -2.563 -3.479) 4.321 2.742 ( 0.000 0.328 -1.343) 1.383 2.806 ( 0.000 -0.535 -1.477) 1.571 2.830 ( 0.000 3.815 2.239) 4.424 2.884 ( 0.000 3.491 -0.341) 3.508 2.995 ( 0.000 1.494 -0.175) 1.504 3.002 ( 0.000 -1.033 0.366) 1.096 3.049 ( 0.000 4.379 6.845) 8.126 3.064 ( 0.000 3.178 1.330) 3.445 3.111 ( 0.000 3.299 2.768) 4.307 3.172 ( 0.000 5.932 -0.939) 6.006 3.293 ( 0.000 6.853 0.922) 6.915 3.444 ( 0.000 0.910 1.418) 1.685 3.474 ( 0.000 2.505 4.182) 4.875 3.605 ( 0.000 -1.813 1.729) 2.505 3.881 ( 0.000 -0.348 -5.242) 5.253 3.882 ( 0.000 -1.976 -4.265) 4.701 4.017 ( 0.000 -0.950 8.351) 8.405 4.167 ( 0.000 -1.315 -1.877) 2.292 4.209 ( 0.000 -0.086 2.969) 2.971 4.276 ( 0.000 2.465 -0.229) 2.475 4.334 ( 0.000 -0.651 -1.630) 1.755 4.366 ( 0.000 -0.193 1.471) 1.484 4.416 ( 0.000 1.340 0.474) 1.421 4.505 ( 0.000 -0.717 -1.293) 1.479 4.545 ( 0.000 -0.475 -0.667) 0.819 4.663 ( 0.000 0.889 2.470) 2.625 4.691 ( 0.000 -0.668 0.649) 0.931 4.713 ( 0.000 -0.833 -0.322) 0.893 4.733 ( 0.000 1.351 2.221) 2.600 4.945 ( 0.000 -1.980 -2.548) 3.227 5.084 ( 0.000 5.616 -8.664) 10.326 5.161 ( 0.000 -3.324 -2.309) 4.047 5.270 ( 0.000 -0.437 -4.067) 4.091 5.880 ( 0.000 -4.651 -13.579) 14.353 11.413 ( 0.000 -0.512 -2.606) 2.656 11.446 ( 0.000 -1.339 -2.484) 2.822 11.453 ( 0.000 0.294 1.511) 1.540 11.498 ( 0.000 0.492 0.477) 0.686 11.554 ( 0.000 -0.415 -0.608) 0.737 11.753 ( 0.000 -2.886 -5.011) 5.783 11.784 ( 0.000 1.986 -0.664) 2.094 11.810 ( 0.000 1.234 -1.142) 1.682 15.748 ( 0.000 0.612 0.710) 0.937 15.777 ( 0.000 0.107 0.781) 0.789 15.796 ( 0.000 -1.265 0.744) 1.467 15.841 ( 0.000 -3.065 -0.528) 3.111 15.917 ( 0.000 -1.539 1.215) 1.961 15.943 ( 0.000 0.349 1.874) 1.906 15.948 ( 0.000 -0.474 2.765) 2.805 15.968 ( 0.000 2.710 -0.562) 2.768 16.071 ( 0.000 4.744 1.423) 4.953 16.110 ( 0.000 -2.039 1.391) 2.468 16.193 ( 0.000 1.172 -0.270) 1.203 16.264 ( 0.000 -1.108 -1.844) 2.151 26.209 ( 0.000 0.019 0.283) 0.284 26.215 ( 0.000 -0.061 0.219) 0.227 26.231 ( 0.000 -0.080 0.698) 0.703 26.233 ( 0.000 -0.115 0.336) 0.355 28.515 ( 0.000 0.445 2.497) 2.536 28.553 ( 0.000 -0.555 3.267) 3.314 28.855 ( 0.000 -1.863 -3.553) 4.012 28.878 ( 0.000 -3.219 -0.999) 3.371 28.961 ( 0.000 -4.216 1.575) 4.501 29.084 ( 0.000 -3.790 1.812) 4.201 29.171 ( 0.000 -0.819 -0.097) 0.824 29.252 ( 0.000 -7.052 4.431) 8.328 29.610 ( 0.000 9.005 -6.992) 11.401 29.733 ( 0.000 0.463 -8.139) 8.152 30.049 ( 0.000 7.202 0.034) 7.202 30.289 ( 0.000 3.313 -5.626) 6.530 ======================= Grid point 76 (29/60) ======================= q-point: ( 0.25 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( 3.845 10.126 14.467) 18.073 1.022 ( 9.913 1.279 16.075) 18.929 1.253 ( -0.272 3.568 -4.090) 5.435 1.321 ( -1.720 4.499 -2.282) 5.330 1.344 ( -10.574 3.459 2.112) 11.324 1.489 ( 0.075 3.024 -2.634) 4.011 1.596 ( 1.008 2.585 -7.128) 7.649 1.690 ( -5.345 -2.375 -0.383) 5.862 1.738 ( -0.546 0.403 0.074) 0.683 1.790 ( 1.864 2.232 -1.493) 3.269 1.828 ( 3.906 1.871 3.598) 5.630 1.898 ( 3.947 -4.118 2.698) 6.310 1.930 ( 6.508 4.476 1.373) 8.017 2.035 ( 0.015 -1.016 -1.547) 1.851 2.118 ( 1.079 1.759 -2.867) 3.532 2.223 ( -0.358 -4.332 3.279) 5.445 2.252 ( 0.160 -2.200 -0.349) 2.234 2.354 ( 0.695 -2.465 -2.599) 3.649 2.394 ( 4.814 -0.548 1.542) 5.085 2.450 ( 0.342 -0.448 -1.808) 1.894 2.467 ( -2.970 2.864 -0.213) 4.131 2.540 ( -1.604 -2.965 -2.204) 4.028 2.551 ( -1.761 -1.508 -0.794) 2.451 2.590 ( 2.404 0.130 -3.577) 4.312 2.634 ( -0.312 -3.156 -2.046) 3.774 2.691 ( -3.860 1.410 2.488) 4.804 2.757 ( 2.430 -0.730 -1.965) 3.209 2.791 ( 0.487 -0.701 -1.454) 1.686 2.858 ( 0.783 2.758 -0.299) 2.883 2.924 ( 2.780 3.465 1.819) 4.800 2.951 ( -4.052 -1.522 0.780) 4.398 2.982 ( -1.523 2.823 1.851) 3.703 3.024 ( -1.428 4.190 4.220) 6.116 3.090 ( 2.244 3.794 2.499) 5.066 3.121 ( 0.481 3.280 2.077) 3.912 3.157 ( -2.619 8.193 3.412) 9.253 3.238 ( -1.580 1.537 -1.679) 2.770 3.325 ( -4.989 2.354 5.921) 8.092 3.505 ( 1.262 -2.855 0.630) 3.184 3.627 ( -0.589 -0.386 -2.764) 2.853 3.863 ( -0.723 -0.583 -2.996) 3.137 3.924 ( 1.856 0.452 -3.443) 3.938 4.027 ( 0.066 -2.900 5.204) 5.957 4.127 ( -2.143 -1.642 -0.393) 2.729 4.251 ( 2.080 2.204 2.625) 4.010 4.280 ( 0.202 3.166 0.409) 3.199 4.358 ( 1.975 0.459 -1.258) 2.386 4.392 ( 1.749 -0.480 0.022) 1.814 4.421 ( 1.225 -0.748 2.668) 3.030 4.518 ( 1.574 -1.050 -0.101) 1.895 4.526 ( -1.753 -0.419 0.272) 1.822 4.668 ( -1.131 -0.943 1.263) 1.940 4.716 ( 2.534 4.015 -0.590) 4.784 4.723 ( 1.884 -0.835 0.418) 2.103 4.776 ( 2.758 -1.075 1.609) 3.368 4.932 ( -1.360 -1.744 -1.802) 2.853 5.006 ( -6.439 -0.158 -0.254) 6.446 5.063 ( -3.078 6.760 -7.491) 10.550 5.438 ( 9.632 -4.789 -8.828) 13.916 5.801 ( -6.554 -5.080 -13.657) 15.977 11.387 ( -0.712 0.289 -1.612) 1.786 11.427 ( -1.864 0.887 1.258) 2.418 11.512 ( 4.336 -2.044 -3.402) 5.878 11.540 ( 3.593 0.344 0.261) 3.619 11.593 ( 3.386 0.127 -0.861) 3.496 11.720 ( -2.916 -2.419 -5.024) 6.293 11.749 ( -3.155 1.933 -0.790) 3.784 11.773 ( -3.284 1.235 -1.158) 3.694 15.745 ( 0.160 0.063 1.353) 1.364 15.777 ( -0.497 -0.237 1.020) 1.159 15.795 ( 0.210 -1.911 0.810) 2.087 15.831 ( -0.901 -2.706 0.530) 2.901 15.934 ( 0.866 0.433 0.223) 0.993 15.942 ( 0.396 0.186 1.217) 1.293 15.977 ( 1.958 -0.420 2.109) 2.908 15.999 ( 2.960 1.275 0.366) 3.244 16.061 ( -1.067 1.622 1.580) 2.503 16.119 ( 0.737 -0.146 0.404) 0.853 16.168 ( -1.835 1.035 0.103) 2.109 16.238 ( -2.225 -1.025 -0.886) 2.605 26.210 ( 0.131 0.011 0.318) 0.344 26.218 ( 0.257 -0.102 0.206) 0.345 26.224 ( -0.442 -0.049 0.544) 0.703 26.231 ( -0.208 -0.154 0.350) 0.436 28.581 ( 5.256 0.226 0.760) 5.316 28.603 ( 4.341 -0.630 2.518) 5.058 28.819 ( -3.185 -1.868 -2.085) 4.240 28.839 ( -3.382 -2.586 -1.377) 4.474 28.978 ( 1.420 -3.864 1.483) 4.375 29.087 ( -3.083 -2.543 -0.005) 3.997 29.123 ( 1.618 -3.870 2.296) 4.782 29.272 ( -1.289 -6.623 2.424) 7.170 29.615 ( 2.200 9.811 -5.938) 11.677 29.752 ( -0.058 4.674 -6.985) 8.405 30.056 ( 1.380 4.219 -0.857) 4.521 30.231 ( -4.725 2.339 -4.466) 6.909 ======================= Grid point 77 (30/60) ======================= q-point: (-0.50 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( -10.871 7.755 9.155) 16.191 1.093 ( 10.871 7.755 9.155) 16.191 1.248 ( -5.273 2.029 2.991) 6.393 1.248 ( 5.273 2.029 2.991) 6.393 1.325 ( -10.039 3.856 3.781) 11.399 1.325 ( 10.039 3.856 3.781) 11.399 1.630 ( -2.851 3.370 -8.693) 9.750 1.630 ( 2.851 3.370 -8.693) 9.750 1.755 ( -0.913 -2.180 -3.637) 4.337 1.755 ( 0.913 -2.180 -3.637) 4.337 1.938 ( -2.542 -4.233 -0.301) 4.947 1.938 ( 2.542 -4.233 -0.301) 4.947 2.037 ( -2.507 -0.786 -2.195) 3.423 2.037 ( 2.507 -0.786 -2.195) 3.423 2.179 ( -4.585 0.919 3.966) 6.131 2.179 ( 4.585 0.919 3.966) 6.131 2.326 ( -8.089 2.362 3.588) 9.159 2.326 ( 8.089 2.362 3.588) 9.159 2.423 ( -5.087 -2.334 0.171) 5.600 2.423 ( 5.087 -2.334 0.171) 5.600 2.481 ( -2.557 -0.903 -3.818) 4.683 2.481 ( 2.557 -0.903 -3.818) 4.683 2.567 ( -4.391 2.377 0.125) 4.994 2.567 ( 4.391 2.377 0.125) 4.994 2.627 ( -0.216 -1.620 -2.712) 3.166 2.627 ( 0.216 -1.620 -2.712) 3.166 2.819 ( -0.821 0.128 1.830) 2.009 2.819 ( 0.821 0.128 1.830) 2.009 2.873 ( -0.172 1.272 -0.105) 1.288 2.873 ( 0.172 1.272 -0.105) 1.288 2.943 ( -0.626 3.550 2.225) 4.236 2.943 ( 0.626 3.550 2.225) 4.236 3.062 ( -3.742 3.209 2.344) 5.459 3.062 ( 3.742 3.209 2.344) 5.459 3.130 ( -0.668 5.312 1.580) 5.582 3.130 ( 0.668 5.312 1.580) 5.582 3.258 ( -1.877 -0.108 2.110) 2.826 3.258 ( 1.877 -0.108 2.110) 2.826 3.561 ( -4.076 -2.919 -1.637) 5.274 3.561 ( 4.076 -2.919 -1.637) 5.274 3.894 ( -3.159 0.957 -1.032) 3.459 3.894 ( 3.159 0.957 -1.032) 3.459 4.068 ( -3.341 -2.487 -0.091) 4.167 4.068 ( 3.341 -2.487 -0.091) 4.167 4.277 ( -0.574 3.909 1.920) 4.392 4.277 ( 0.574 3.909 1.920) 4.392 4.394 ( -0.992 0.781 -0.361) 1.314 4.394 ( 0.992 0.781 -0.361) 1.314 4.480 ( -2.637 -0.534 2.543) 3.701 4.480 ( 2.637 -0.534 2.543) 3.701 4.587 ( -4.804 -2.852 0.798) 5.644 4.587 ( 4.804 -2.852 0.798) 5.644 4.770 ( -1.200 1.821 0.247) 2.195 4.770 ( 1.200 1.821 0.247) 2.195 4.836 ( -5.029 -1.131 0.749) 5.208 4.836 ( 5.029 -1.131 0.749) 5.208 4.991 ( -3.216 4.228 -4.523) 6.977 4.991 ( 3.216 4.228 -4.523) 6.977 5.634 ( -8.628 -5.875 -12.836) 16.544 5.634 ( 8.628 -5.875 -12.836) 16.544 11.392 ( -1.097 1.063 -0.189) 1.539 11.392 ( 1.097 1.063 -0.189) 1.539 11.598 ( -1.731 -2.592 -2.105) 3.761 11.598 ( 1.731 -2.592 -2.105) 3.761 11.671 ( -2.116 1.311 -2.176) 3.306 11.671 ( 2.116 1.311 -2.176) 3.306 11.686 ( -3.782 1.023 -1.592) 4.229 11.686 ( 3.782 1.023 -1.592) 4.229 15.758 ( -0.950 -0.331 1.583) 1.876 15.758 ( 0.950 -0.331 1.583) 1.876 15.809 ( -1.006 -2.506 0.956) 2.864 15.809 ( 1.006 -2.506 0.956) 2.864 15.945 ( -0.231 1.086 0.407) 1.183 15.945 ( 0.231 1.086 0.407) 1.183 16.022 ( -1.984 -0.273 1.969) 2.809 16.022 ( 1.984 -0.273 1.969) 2.809 16.081 ( -3.662 0.522 -0.158) 3.702 16.081 ( 3.662 0.522 -0.158) 3.702 16.182 ( -2.599 -0.273 0.211) 2.621 16.182 ( 2.599 -0.273 0.211) 2.621 26.215 ( -0.356 -0.017 0.411) 0.544 26.215 ( 0.356 -0.017 0.411) 0.544 26.225 ( -0.345 -0.158 0.235) 0.446 26.225 ( 0.345 -0.158 0.235) 0.446 28.681 ( -1.290 0.096 0.648) 1.447 28.681 ( 1.290 0.096 0.648) 1.447 28.760 ( -1.440 -2.231 -1.274) 2.945 28.760 ( 1.440 -2.231 -1.274) 2.945 29.019 ( -2.543 -3.242 0.976) 4.235 29.019 ( 2.543 -3.242 0.976) 4.235 29.198 ( -4.348 -5.154 1.315) 6.871 29.198 ( 4.348 -5.154 1.315) 6.871 29.699 ( -4.362 9.139 -5.011) 11.298 29.699 ( 4.362 9.139 -5.011) 11.298 30.124 ( -4.628 1.207 -2.946) 5.617 30.124 ( 4.628 1.207 -2.946) 5.617 ======================= Grid point 80 (31/60) ======================= q-point: ( 0.00 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( 0.000 9.107 11.036) 14.309 1.119 ( 0.000 11.053 9.011) 14.261 1.332 ( 0.000 -0.633 -5.425) 5.461 1.348 ( 0.000 0.902 3.357) 3.476 1.501 ( 0.000 1.642 -1.428) 2.177 1.544 ( 0.000 1.455 -7.116) 7.263 1.623 ( 0.000 2.832 -0.395) 2.860 1.690 ( 0.000 -6.420 4.825) 8.031 1.721 ( 0.000 -1.238 2.358) 2.663 1.797 ( 0.000 3.100 -2.934) 4.268 1.829 ( 0.000 2.193 -0.715) 2.306 1.951 ( 0.000 2.663 1.917) 3.281 1.961 ( 0.000 2.069 -3.610) 4.160 2.010 ( 0.000 0.916 -5.164) 5.244 2.124 ( 0.000 0.312 6.010) 6.019 2.161 ( 0.000 -1.645 -0.748) 1.807 2.184 ( 0.000 0.939 -4.879) 4.969 2.259 ( 0.000 -2.362 -0.636) 2.446 2.308 ( 0.000 -3.240 2.154) 3.890 2.434 ( 0.000 -8.556 -3.290) 9.167 2.465 ( 0.000 -1.177 -4.975) 5.112 2.495 ( 0.000 1.322 6.026) 6.169 2.534 ( 0.000 -2.496 -3.890) 4.622 2.555 ( 0.000 -3.013 -3.283) 4.456 2.622 ( 0.000 5.407 -0.636) 5.444 2.721 ( 0.000 2.618 -2.467) 3.597 2.765 ( 0.000 1.298 -0.719) 1.484 2.848 ( 0.000 -2.710 5.198) 5.862 2.850 ( 0.000 5.716 2.511) 6.243 2.951 ( 0.000 2.409 2.060) 3.170 2.998 ( 0.000 1.691 0.085) 1.693 3.012 ( 0.000 0.745 1.706) 1.861 3.087 ( 0.000 0.116 4.157) 4.159 3.135 ( 0.000 3.030 3.345) 4.513 3.194 ( 0.000 3.154 4.148) 5.211 3.318 ( 0.000 6.927 0.587) 6.951 3.355 ( 0.000 -7.959 4.920) 9.356 3.408 ( 0.000 4.311 1.304) 4.503 3.553 ( 0.000 4.713 2.073) 5.149 3.630 ( 0.000 2.239 4.600) 5.116 3.855 ( 0.000 -0.539 -2.717) 2.770 3.872 ( 0.000 -0.642 -4.468) 4.514 4.018 ( 0.000 1.711 3.125) 3.563 4.132 ( 0.000 -2.250 -0.498) 2.305 4.202 ( 0.000 -0.012 1.359) 1.359 4.292 ( 0.000 -2.609 -1.543) 3.031 4.338 ( 0.000 2.551 -0.669) 2.638 4.384 ( 0.000 1.371 2.218) 2.607 4.432 ( 0.000 0.330 -1.613) 1.646 4.483 ( 0.000 -1.393 -3.025) 3.331 4.555 ( 0.000 1.821 0.126) 1.826 4.672 ( 0.000 -2.459 1.604) 2.936 4.679 ( 0.000 0.775 2.561) 2.676 4.691 ( 0.000 -0.236 0.111) 0.261 4.770 ( 0.000 2.112 0.378) 2.145 4.888 ( 0.000 -3.548 -0.174) 3.553 5.093 ( 0.000 -2.761 -4.200) 5.026 5.119 ( 0.000 -2.228 -6.576) 6.943 5.360 ( 0.000 9.506 -7.846) 12.326 5.752 ( 0.000 -8.150 -12.176) 14.652 11.403 ( 0.000 -0.381 -2.146) 2.179 11.419 ( 0.000 -1.226 -2.129) 2.456 11.487 ( 0.000 3.228 -0.207) 3.234 11.511 ( 0.000 0.780 0.253) 0.820 11.543 ( 0.000 -0.720 -0.372) 0.811 11.675 ( 0.000 -4.854 -4.066) 6.332 11.825 ( 0.000 1.840 -1.957) 2.686 11.837 ( 0.000 1.169 -2.101) 2.404 15.763 ( 0.000 0.831 0.991) 1.293 15.777 ( 0.000 -0.198 0.622) 0.653 15.785 ( 0.000 -0.178 0.221) 0.284 15.794 ( 0.000 -1.395 -0.183) 1.406 15.884 ( 0.000 -1.010 1.129) 1.515 15.926 ( 0.000 -1.653 1.723) 2.388 15.964 ( 0.000 1.585 1.656) 2.292 16.020 ( 0.000 1.739 0.741) 1.890 16.074 ( 0.000 -0.666 0.623) 0.912 16.134 ( 0.000 1.271 1.197) 1.746 16.209 ( 0.000 0.439 0.274) 0.518 16.232 ( 0.000 -1.812 -1.170) 2.157 26.210 ( 0.000 0.062 0.265) 0.272 26.213 ( 0.000 -0.097 0.224) 0.244 26.229 ( 0.000 -0.049 0.622) 0.624 26.230 ( 0.000 -0.091 0.398) 0.408 28.524 ( 0.000 0.439 2.550) 2.587 28.540 ( 0.000 -0.615 2.732) 2.801 28.828 ( 0.000 -0.692 -1.591) 1.735 28.829 ( 0.000 -1.393 0.327) 1.431 28.896 ( 0.000 -1.589 1.770) 2.379 28.995 ( 0.000 -4.967 0.707) 5.017 29.118 ( 0.000 -3.369 2.643) 4.282 29.134 ( 0.000 -4.713 5.356) 7.134 29.764 ( 0.000 5.980 -10.537) 12.116 29.786 ( 0.000 3.665 -10.578) 11.195 30.186 ( 0.000 6.276 -1.133) 6.377 30.325 ( 0.000 -0.086 -4.384) 4.385 ======================= Grid point 81 (32/60) ======================= q-point: ( 0.25 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( 6.933 5.391 11.280) 14.296 1.160 ( 4.052 11.657 7.950) 14.681 1.298 ( 0.093 0.000 -1.174) 1.178 1.418 ( -1.405 5.057 2.698) 5.901 1.439 ( -6.018 4.274 1.119) 7.466 1.492 ( -1.624 -2.842 1.884) 3.777 1.599 ( -1.155 -2.218 -1.179) 2.765 1.674 ( 1.664 -1.808 -2.431) 3.456 1.742 ( 0.522 0.583 0.553) 0.958 1.796 ( -2.992 -1.412 -0.698) 3.381 1.845 ( 0.977 1.059 -3.466) 3.754 1.859 ( -2.512 2.112 -5.937) 6.783 1.993 ( 2.466 1.960 -0.583) 3.204 2.070 ( 1.819 2.087 -5.034) 5.745 2.177 ( 4.166 3.102 3.097) 6.047 2.196 ( 0.964 -0.311 -5.255) 5.352 2.198 ( 2.963 0.346 2.971) 4.210 2.320 ( 3.563 -3.670 -1.744) 5.404 2.329 ( 1.962 -1.975 2.310) 3.617 2.403 ( -1.666 -5.068 -5.119) 7.393 2.449 ( 0.450 -1.830 -1.707) 2.543 2.476 ( -0.623 -3.332 -0.500) 3.427 2.580 ( 1.927 1.477 -3.521) 4.277 2.585 ( 1.848 -1.230 -1.453) 2.654 2.637 ( 0.416 3.811 -2.807) 4.751 2.714 ( -3.039 0.729 0.844) 3.238 2.737 ( 1.325 -0.101 -0.906) 1.608 2.831 ( -0.184 2.516 3.728) 4.502 2.900 ( 2.185 1.635 4.074) 4.903 2.931 ( -2.107 1.282 2.241) 3.332 3.004 ( 0.139 2.470 1.139) 2.724 3.016 ( 1.626 1.978 0.917) 2.720 3.067 ( -1.629 0.014 4.821) 5.089 3.167 ( 1.851 3.615 3.652) 5.462 3.213 ( 0.924 3.758 4.302) 5.787 3.275 ( -3.780 4.967 0.959) 6.315 3.311 ( -3.583 1.275 1.444) 4.068 3.386 ( -7.512 3.493 6.993) 10.841 3.407 ( 0.464 -3.117 1.802) 3.630 3.609 ( -5.557 -2.985 0.135) 6.309 3.872 ( 1.751 1.337 -1.699) 2.782 3.927 ( 4.132 -0.985 -2.115) 4.745 3.995 ( -2.441 1.134 2.336) 3.564 4.097 ( -2.433 -1.685 0.135) 2.963 4.261 ( 4.378 -0.338 2.820) 5.218 4.319 ( 1.824 -0.859 0.426) 2.060 4.360 ( 1.616 1.444 -1.058) 2.411 4.411 ( -0.955 -0.788 0.567) 1.362 4.421 ( 2.750 3.338 0.520) 4.356 4.510 ( 1.932 -0.246 -1.834) 2.675 4.539 ( -1.391 1.994 0.833) 2.570 4.654 ( -2.187 -1.717 1.148) 3.009 4.703 ( 2.477 0.013 0.650) 2.561 4.744 ( 3.124 -1.297 1.363) 3.646 4.786 ( 1.331 1.899 0.347) 2.345 4.877 ( -1.507 -3.372 0.750) 3.769 5.028 ( -0.610 2.959 -4.407) 5.343 5.202 ( 1.185 3.332 -10.618) 11.191 5.346 ( 1.519 -0.665 -7.936) 8.107 5.667 ( -7.290 -8.316 -12.412) 16.624 11.398 ( 0.496 0.880 -1.608) 1.899 11.461 ( 0.737 0.408 -1.307) 1.555 11.471 ( 0.815 0.137 -1.510) 1.721 11.547 ( 2.525 0.163 0.088) 2.531 11.593 ( 4.269 -0.113 -1.141) 4.421 11.656 ( -1.055 -3.723 -4.237) 5.738 11.788 ( -3.383 1.703 -2.041) 4.303 11.798 ( -3.416 1.085 -2.134) 4.171 15.748 ( -0.628 0.335 1.694) 1.837 15.767 ( -0.640 -0.639 0.992) 1.343 15.774 ( -0.687 -0.469 0.314) 0.890 15.790 ( -0.729 -1.343 0.455) 1.594 15.924 ( 2.848 -0.416 0.871) 3.007 15.949 ( 1.669 -0.476 1.522) 2.308 15.974 ( 0.904 0.790 1.355) 1.810 16.030 ( 0.549 0.285 1.284) 1.425 16.066 ( -0.399 0.969 0.116) 1.054 16.135 ( 0.034 0.620 0.819) 1.027 16.180 ( -2.343 0.212 0.523) 2.410 16.207 ( -2.017 -1.890 -0.419) 2.795 26.211 ( 0.120 0.067 0.288) 0.319 26.215 ( 0.189 -0.141 0.220) 0.323 26.224 ( -0.398 0.016 0.495) 0.635 26.228 ( -0.261 -0.164 0.382) 0.491 28.584 ( 4.654 -0.026 1.594) 4.919 28.589 ( 4.510 -0.562 2.072) 4.995 28.783 ( -3.317 -1.169 0.369) 3.537 28.802 ( -2.871 -1.287 -0.871) 3.264 28.919 ( 1.821 -1.236 1.621) 2.733 29.017 ( 1.305 -4.446 0.443) 4.654 29.051 ( -2.956 -2.283 2.809) 4.674 29.144 ( -1.395 -6.014 3.162) 6.936 29.793 ( 3.895 7.683 -8.388) 12.023 29.860 ( 4.663 4.763 -8.670) 10.936 30.142 ( -3.455 4.113 -2.157) 5.788 30.255 ( -5.907 -0.387 -4.561) 7.473 ======================= Grid point 82 (33/60) ======================= q-point: (-0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( -7.793 4.826 9.472) 13.181 1.244 ( 7.793 4.826 9.472) 13.181 1.283 ( -4.472 2.384 3.524) 6.173 1.283 ( 4.472 2.384 3.524) 6.173 1.418 ( -5.100 5.532 3.166) 8.163 1.418 ( 5.100 5.532 3.166) 8.163 1.658 ( -4.734 -2.932 -2.470) 6.091 1.658 ( 4.734 -2.932 -2.470) 6.091 1.737 ( -1.038 1.251 -3.117) 3.515 1.737 ( 1.038 1.251 -3.117) 3.515 1.858 ( -0.591 -2.479 -2.746) 3.746 1.858 ( 0.591 -2.479 -2.746) 3.746 2.051 ( -2.825 2.708 -3.096) 4.990 2.051 ( 2.825 2.708 -3.096) 4.990 2.198 ( -0.586 0.220 -3.462) 3.518 2.198 ( 0.586 0.220 -3.462) 3.518 2.325 ( -3.222 -1.469 -4.338) 5.600 2.325 ( 3.222 -1.469 -4.338) 5.600 2.380 ( -2.160 -3.015 -0.094) 3.710 2.380 ( 2.160 -3.015 -0.094) 3.710 2.491 ( -6.560 2.324 0.094) 6.960 2.491 ( 6.560 2.324 0.094) 6.960 2.575 ( -4.674 -1.291 -2.993) 5.698 2.575 ( 4.674 -1.291 -2.993) 5.698 2.650 ( -1.224 3.118 0.666) 3.415 2.650 ( 1.224 3.118 0.666) 3.415 2.802 ( -3.362 -2.343 -0.017) 4.098 2.802 ( 3.362 -2.343 -0.017) 4.098 2.920 ( -1.183 3.623 4.323) 5.763 2.920 ( 1.183 3.623 4.323) 5.763 3.011 ( -2.569 2.469 3.733) 5.161 3.011 ( 2.569 2.469 3.733) 5.161 3.099 ( -5.339 2.265 3.668) 6.863 3.099 ( 5.339 2.265 3.668) 6.863 3.240 ( -2.984 3.546 1.592) 4.900 3.240 ( 2.984 3.546 1.592) 4.900 3.291 ( -2.795 3.346 2.843) 5.205 3.291 ( 2.795 3.346 2.843) 5.205 3.466 ( -5.616 -6.386 2.254) 8.798 3.466 ( 5.616 -6.386 2.254) 8.798 3.926 ( -3.132 2.250 -0.222) 3.863 3.926 ( 3.132 2.250 -0.222) 3.863 4.024 ( -4.287 -2.151 -0.142) 4.798 4.024 ( 4.287 -2.151 -0.142) 4.798 4.335 ( -1.343 1.547 2.550) 3.271 4.335 ( 1.343 1.547 2.550) 3.271 4.384 ( -1.192 -1.104 0.621) 1.740 4.384 ( 1.192 -1.104 0.621) 1.740 4.495 ( -2.915 2.277 1.647) 4.049 4.495 ( 2.915 2.277 1.647) 4.049 4.575 ( -4.365 0.265 -0.627) 4.418 4.575 ( 4.365 0.265 -0.627) 4.418 4.765 ( -2.104 -0.650 0.839) 2.357 4.765 ( 2.104 -0.650 0.839) 2.357 4.817 ( -2.531 -1.518 1.242) 3.202 4.817 ( 2.531 -1.518 1.242) 3.202 5.114 ( -6.589 8.044 -8.025) 13.135 5.114 ( 6.589 8.044 -8.025) 13.135 5.482 ( -8.902 -9.070 -12.116) 17.559 5.482 ( 8.902 -9.070 -12.116) 17.559 11.425 ( -1.809 2.219 -0.935) 3.012 11.425 ( 1.809 2.219 -0.935) 3.012 11.540 ( -3.072 -3.169 -2.076) 4.877 11.540 ( 3.072 -3.169 -2.076) 4.877 11.694 ( -3.837 0.991 -2.304) 4.584 11.694 ( 3.837 0.991 -2.304) 4.584 11.703 ( -4.254 0.581 -2.174) 4.812 11.703 ( 4.254 0.581 -2.174) 4.812 15.750 ( -0.687 -0.264 1.705) 1.857 15.750 ( 0.687 -0.264 1.705) 1.857 15.773 ( -0.582 -1.201 0.756) 1.533 15.773 ( 0.582 -1.201 0.756) 1.533 15.965 ( -0.546 0.995 0.743) 1.357 15.965 ( 0.546 0.995 0.743) 1.357 16.009 ( -2.045 -0.966 1.749) 2.859 16.009 ( 2.045 -0.966 1.749) 2.859 16.100 ( -3.073 1.332 0.017) 3.350 16.100 ( 3.073 1.332 0.017) 3.350 16.166 ( -1.364 -1.396 0.583) 2.037 16.166 ( 1.364 -1.396 0.583) 2.037 26.216 ( -0.327 0.057 0.365) 0.493 26.216 ( 0.327 0.057 0.365) 0.493 26.221 ( -0.319 -0.194 0.263) 0.457 26.221 ( 0.319 -0.194 0.263) 0.457 28.681 ( -2.395 0.018 1.163) 2.663 28.681 ( 2.395 0.018 1.163) 2.663 28.719 ( -2.877 -1.742 -0.039) 3.364 28.719 ( 2.877 -1.742 -0.039) 3.364 28.969 ( -2.856 -1.035 1.651) 3.457 28.969 ( 2.856 -1.035 1.651) 3.457 29.087 ( -3.247 -5.654 1.323) 6.652 29.087 ( 3.247 -5.654 1.323) 6.652 29.893 ( -3.335 9.605 -5.504) 11.562 29.893 ( 3.335 9.605 -5.504) 11.562 30.126 ( -4.117 -1.504 -5.075) 6.705 30.126 ( 4.117 -1.504 -5.075) 6.705 ======================= Grid point 85 (34/60) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( 0.000 -10.306 1.813) 10.464 1.208 ( 0.000 10.306 1.813) 10.464 1.307 ( 0.000 -6.077 3.218) 6.876 1.307 ( 0.000 6.077 3.218) 6.876 1.540 ( 0.000 -2.892 -2.251) 3.665 1.540 ( 0.000 2.892 -2.251) 3.665 1.611 ( 0.000 -0.674 6.542) 6.577 1.611 ( 0.000 0.674 6.542) 6.577 1.778 ( 0.000 -3.479 -2.850) 4.497 1.778 ( 0.000 3.479 -2.850) 4.497 1.925 ( 0.000 -6.486 -2.055) 6.804 1.925 ( 0.000 6.486 -2.055) 6.804 1.993 ( 0.000 -0.881 -4.255) 4.345 1.993 ( 0.000 0.881 -4.255) 4.345 2.121 ( 0.000 -2.304 -3.812) 4.455 2.121 ( 0.000 2.304 -3.812) 4.455 2.263 ( 0.000 -2.275 7.094) 7.450 2.263 ( 0.000 2.275 7.094) 7.450 2.282 ( 0.000 -5.826 -6.812) 8.964 2.282 ( 0.000 5.826 -6.812) 8.964 2.482 ( 0.000 -2.294 -7.193) 7.550 2.482 ( 0.000 2.294 -7.193) 7.550 2.511 ( 0.000 -1.064 3.800) 3.946 2.511 ( 0.000 1.064 3.800) 3.946 2.735 ( 0.000 -4.505 -1.364) 4.707 2.735 ( 0.000 4.505 -1.364) 4.707 2.775 ( 0.000 -0.754 1.733) 1.890 2.775 ( 0.000 0.754 1.733) 1.890 2.973 ( 0.000 -1.985 5.245) 5.608 2.973 ( 0.000 1.985 5.245) 5.608 3.025 ( 0.000 -0.082 1.823) 1.825 3.025 ( 0.000 0.082 1.823) 1.825 3.118 ( 0.000 -5.589 5.198) 7.633 3.118 ( 0.000 5.589 5.198) 7.633 3.220 ( 0.000 -0.892 4.646) 4.730 3.220 ( 0.000 0.892 4.646) 4.730 3.431 ( 0.000 -2.465 2.371) 3.420 3.431 ( 0.000 2.465 2.371) 3.420 3.629 ( 0.000 -2.373 2.538) 3.474 3.629 ( 0.000 2.373 2.538) 3.474 3.858 ( 0.000 -0.619 -3.200) 3.259 3.858 ( 0.000 0.619 -3.200) 3.259 4.077 ( 0.000 -3.328 0.664) 3.393 4.077 ( 0.000 3.328 0.664) 3.393 4.230 ( 0.000 -2.857 -0.586) 2.917 4.230 ( 0.000 2.857 -0.586) 2.917 4.382 ( 0.000 -1.617 0.392) 1.663 4.382 ( 0.000 1.617 0.392) 1.663 4.452 ( 0.000 -1.680 -3.296) 3.700 4.452 ( 0.000 1.680 -3.296) 3.700 4.610 ( 0.000 -3.357 1.347) 3.617 4.610 ( 0.000 3.357 1.347) 3.617 4.689 ( 0.000 -0.197 1.382) 1.396 4.689 ( 0.000 0.197 1.382) 1.396 4.820 ( 0.000 -3.044 0.628) 3.108 4.820 ( 0.000 3.044 0.628) 3.108 5.075 ( 0.000 -1.074 -5.514) 5.617 5.075 ( 0.000 1.074 -5.514) 5.617 5.566 ( 0.000 -10.421 -10.431) 14.745 5.566 ( 0.000 10.421 -10.431) 14.745 11.402 ( 0.000 -0.387 -1.928) 1.967 11.402 ( 0.000 0.387 -1.928) 1.967 11.527 ( 0.000 -0.852 -0.049) 0.853 11.527 ( 0.000 0.852 -0.049) 0.853 11.573 ( 0.000 -5.101 -2.437) 5.653 11.573 ( 0.000 5.101 -2.437) 5.653 11.847 ( 0.000 -0.249 -2.531) 2.544 11.847 ( 0.000 0.249 -2.531) 2.544 15.772 ( 0.000 -0.056 0.695) 0.697 15.772 ( 0.000 0.056 0.695) 0.697 15.783 ( 0.000 -0.169 0.208) 0.268 15.783 ( 0.000 0.169 0.208) 0.268 15.891 ( 0.000 -1.519 0.983) 1.809 15.891 ( 0.000 1.519 0.983) 1.809 16.002 ( 0.000 -2.109 1.897) 2.837 16.002 ( 0.000 2.109 1.897) 2.837 16.113 ( 0.000 -2.822 0.128) 2.825 16.113 ( 0.000 2.822 0.128) 2.825 16.213 ( 0.000 -0.185 0.129) 0.225 16.213 ( 0.000 0.185 0.129) 0.225 26.211 ( 0.000 -0.099 0.241) 0.261 26.211 ( 0.000 0.099 0.241) 0.261 26.229 ( 0.000 -0.029 0.512) 0.513 26.229 ( 0.000 0.029 0.512) 0.513 28.531 ( 0.000 -0.330 2.449) 2.472 28.531 ( 0.000 0.330 2.449) 2.472 28.820 ( 0.000 -0.180 0.622) 0.648 28.820 ( 0.000 0.180 0.622) 0.648 28.911 ( 0.000 -2.938 0.688) 3.018 28.911 ( 0.000 2.938 0.688) 3.018 29.081 ( 0.000 -0.267 4.009) 4.018 29.081 ( 0.000 0.267 4.009) 4.018 29.828 ( 0.000 -0.275 -11.561) 11.565 29.828 ( 0.000 0.275 -11.561) 11.565 30.286 ( 0.000 -3.693 -2.358) 4.382 30.286 ( 0.000 3.693 -2.358) 4.382 ======================= Grid point 87 (35/60) ======================= q-point: ( 0.25 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( 1.932 -6.590 3.644) 7.774 1.216 ( 1.932 6.590 3.644) 7.774 1.358 ( 1.783 -7.149 4.162) 8.462 1.358 ( 1.783 7.149 4.162) 8.462 1.519 ( -4.231 -2.652 6.017) 7.819 1.519 ( -4.231 2.652 6.017) 7.819 1.572 ( 1.606 -3.097 -2.302) 4.180 1.572 ( 1.606 3.097 -2.302) 4.180 1.787 ( -0.026 -2.470 -1.746) 3.025 1.787 ( -0.026 2.470 -1.746) 3.025 1.861 ( -4.053 -1.804 -2.793) 5.242 1.861 ( -4.053 1.804 -2.793) 5.242 2.067 ( 4.323 -3.279 -4.439) 7.010 2.067 ( 4.323 3.279 -4.439) 7.010 2.185 ( 1.363 -1.603 -5.251) 5.657 2.185 ( 1.363 1.603 -5.251) 5.657 2.253 ( 3.359 -1.557 -1.254) 3.909 2.253 ( 3.359 1.557 -1.254) 3.909 2.325 ( 2.297 -0.597 1.179) 2.650 2.325 ( 2.297 0.597 1.179) 2.650 2.434 ( -1.038 -0.781 -3.735) 3.954 2.434 ( -1.038 0.781 -3.735) 3.954 2.577 ( 3.366 -0.603 -1.242) 3.638 2.577 ( 3.366 0.603 -1.242) 3.638 2.711 ( -2.110 -1.697 -1.251) 2.983 2.711 ( -2.110 1.697 -1.251) 2.983 2.774 ( -0.312 -4.454 1.232) 4.632 2.774 ( -0.312 4.454 1.232) 4.632 2.974 ( 0.114 -0.410 4.885) 4.904 2.974 ( 0.114 0.410 4.885) 4.904 3.019 ( -0.687 -1.896 2.795) 3.446 3.019 ( -0.687 1.896 2.795) 3.446 3.134 ( 2.011 -7.673 6.387) 10.183 3.134 ( 2.011 7.673 6.387) 10.183 3.247 ( 1.954 -0.686 3.818) 4.343 3.247 ( 1.954 0.686 3.818) 4.343 3.379 ( -4.718 -3.506 0.533) 5.902 3.379 ( -4.718 3.506 0.533) 5.902 3.505 ( -8.520 -6.676 3.486) 11.371 3.505 ( -8.520 6.676 3.486) 11.371 3.899 ( 3.051 -1.364 -1.333) 3.598 3.899 ( 3.051 1.364 -1.333) 3.598 4.050 ( -2.512 -3.110 0.716) 4.062 4.050 ( -2.512 3.110 0.716) 4.062 4.279 ( 3.846 -2.125 1.083) 4.525 4.279 ( 3.846 2.125 1.083) 4.525 4.390 ( -0.050 -1.231 -0.088) 1.236 4.390 ( -0.050 1.231 -0.088) 1.236 4.487 ( 2.920 -2.470 -1.528) 4.119 4.487 ( 2.920 2.470 -1.528) 4.119 4.597 ( -1.251 -3.440 1.416) 3.925 4.597 ( -1.251 3.440 1.416) 3.925 4.720 ( 2.350 -1.165 1.386) 2.967 4.720 ( 2.350 1.165 1.386) 2.967 4.819 ( -0.624 -2.164 1.101) 2.506 4.819 ( -0.624 2.164 1.101) 2.506 5.124 ( 5.179 -6.225 -8.295) 11.592 5.124 ( 5.179 6.225 -8.295) 11.592 5.484 ( -7.188 -9.775 -10.718) 16.189 5.484 ( -7.188 9.775 -10.718) 16.189 11.424 ( 1.950 -1.747 -1.866) 3.215 11.424 ( 1.950 1.747 -1.866) 3.215 11.529 ( -1.454 -2.614 -0.882) 3.118 11.529 ( -1.454 2.614 -0.882) 3.118 11.598 ( 3.780 -1.270 -2.211) 4.560 11.598 ( 3.780 1.270 -2.211) 4.560 11.808 ( -3.544 -0.251 -2.557) 4.378 11.808 ( -3.544 0.251 -2.557) 4.378 15.757 ( -0.765 -0.461 1.280) 1.561 15.757 ( -0.765 0.461 1.280) 1.561 15.773 ( -0.891 -0.428 0.366) 1.054 15.773 ( -0.891 0.428 0.366) 1.054 15.930 ( 2.901 -0.913 1.092) 3.231 15.930 ( 2.901 0.913 1.092) 3.231 16.004 ( -0.029 -1.834 1.601) 2.435 16.004 ( -0.029 1.834 1.601) 2.435 16.114 ( 0.170 -2.615 0.151) 2.624 16.114 ( 0.170 2.615 0.151) 2.624 16.183 ( -2.435 -0.430 0.383) 2.502 16.183 ( -2.435 0.430 0.383) 2.502 26.213 ( 0.139 -0.125 0.250) 0.312 26.213 ( 0.139 0.125 0.250) 0.312 26.225 ( -0.333 -0.104 0.437) 0.559 26.225 ( -0.333 0.104 0.437) 0.559 28.583 ( 4.407 -0.120 1.891) 4.797 28.583 ( 4.407 0.120 1.891) 4.797 28.781 ( -3.256 -0.751 0.699) 3.414 28.781 ( -3.256 0.751 0.699) 3.414 28.938 ( 2.141 -2.903 0.782) 3.690 28.938 ( 2.141 2.903 0.782) 3.690 29.054 ( -2.382 -2.645 2.892) 4.586 29.054 ( -2.382 2.645 2.892) 4.586 29.893 ( 5.817 -1.878 -9.466) 11.268 29.893 ( 5.817 1.878 -9.466) 11.268 30.216 ( -6.176 -3.220 -3.149) 7.643 30.216 ( -6.176 3.220 -3.149) 7.643 ======================= Grid point 89 (36/60) ======================= q-point: (-0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( -4.984 -1.594 5.501) 7.592 1.295 ( -4.572 1.247 5.501) 7.260 1.295 ( 4.572 -1.247 5.501) 7.260 1.295 ( 4.984 1.594 5.501) 7.592 1.548 ( -3.314 -6.839 2.410) 7.973 1.548 ( 2.072 -6.716 2.410) 7.430 1.548 ( -2.072 6.716 2.410) 7.430 1.548 ( 3.314 6.839 2.410) 7.973 1.796 ( -0.778 -3.980 -2.329) 4.676 1.796 ( -0.032 -3.961 -2.329) 4.595 1.796 ( 0.032 3.961 -2.329) 4.595 1.796 ( 0.778 3.980 -2.329) 4.676 2.148 ( -1.398 -5.222 -5.818) 7.942 2.148 ( -0.322 -5.177 -5.818) 7.795 2.148 ( 0.322 5.177 -5.818) 7.795 2.148 ( 1.398 5.222 -5.818) 7.942 2.323 ( -1.683 -1.793 -2.574) 3.559 2.323 ( 0.311 -1.590 -2.574) 3.042 2.323 ( -0.311 1.590 -2.574) 3.042 2.323 ( 1.683 1.793 -2.574) 3.559 2.541 ( -7.237 -2.046 -2.523) 7.933 2.541 ( -6.387 1.137 -2.523) 6.961 2.541 ( 6.387 -1.137 -2.523) 6.961 2.541 ( 7.237 2.046 -2.523) 7.933 2.726 ( -3.025 -4.408 1.020) 5.442 2.726 ( 1.179 -4.182 1.020) 4.463 2.726 ( -1.179 4.182 1.020) 4.463 2.726 ( 3.025 4.408 1.020) 5.442 2.993 ( -1.395 -3.021 3.256) 4.655 2.993 ( 1.042 -2.985 3.256) 4.538 2.993 ( -1.042 2.985 3.256) 4.538 2.993 ( 1.395 3.021 3.256) 4.655 3.212 ( -5.072 -6.354 6.082) 10.153 3.212 ( 4.856 -6.311 6.082) 10.020 3.212 ( -4.856 6.311 6.082) 10.020 3.212 ( 5.072 6.354 6.082) 10.153 3.358 ( -4.555 -3.493 1.829) 6.025 3.358 ( 3.624 -3.209 1.829) 5.174 3.358 ( -3.624 3.209 1.829) 5.174 3.358 ( 4.555 3.493 1.829) 6.025 3.977 ( -3.951 -2.665 0.097) 4.767 3.977 ( 3.617 -2.544 0.097) 4.423 3.977 ( -3.617 2.544 0.097) 4.423 3.977 ( 3.951 2.665 0.097) 4.767 4.359 ( -2.506 -1.077 1.541) 3.132 4.359 ( -1.795 -0.628 1.541) 2.448 4.359 ( 1.795 0.628 1.541) 2.448 4.359 ( 2.506 1.077 1.541) 3.132 4.553 ( -2.821 -2.615 0.363) 3.864 4.553 ( 2.710 -2.586 0.363) 3.763 4.553 ( -2.710 2.586 0.363) 3.763 4.553 ( 2.821 2.615 0.363) 3.864 4.778 ( -2.210 -1.607 1.427) 3.083 4.778 ( -1.093 -1.289 1.427) 2.212 4.778 ( 1.093 1.289 1.427) 2.212 4.778 ( 2.210 1.607 1.427) 3.083 5.293 ( -9.137 -9.598 -10.838) 17.119 5.293 ( 6.255 -9.001 -10.838) 15.415 5.293 ( -6.255 9.001 -10.838) 15.415 5.293 ( 9.137 9.598 -10.838) 17.119 11.478 ( -2.786 -3.037 -1.623) 4.429 11.478 ( 2.743 -3.027 -1.623) 4.395 11.478 ( -2.743 3.027 -1.623) 4.395 11.478 ( 2.786 3.037 -1.623) 4.429 11.707 ( -5.492 -0.195 -2.413) 6.002 11.707 ( -5.490 0.180 -2.413) 5.999 11.707 ( 5.490 -0.180 -2.413) 5.999 11.707 ( 5.492 0.195 -2.413) 6.002 15.754 ( -0.461 -0.686 1.159) 1.424 15.754 ( 0.235 -0.656 1.159) 1.353 15.754 ( -0.235 0.656 1.159) 1.353 15.754 ( 0.461 0.686 1.159) 1.424 15.987 ( -1.734 -1.147 1.312) 2.458 15.987 ( 0.003 -0.752 1.312) 1.512 15.987 ( -0.003 0.752 1.312) 1.512 15.987 ( 1.734 1.147 1.312) 2.458 16.132 ( -1.717 -1.817 0.369) 2.527 16.132 ( 1.236 -1.716 0.369) 2.147 16.132 ( -1.236 1.716 0.369) 2.147 16.132 ( 1.717 1.817 0.369) 2.527 26.218 ( -0.314 -0.148 0.310) 0.466 26.218 ( -0.151 0.054 0.310) 0.349 26.218 ( 0.151 -0.054 0.310) 0.349 26.218 ( 0.314 0.148 0.310) 0.466 28.691 ( -4.892 -0.867 1.064) 5.081 28.691 ( -4.637 0.378 1.064) 4.773 28.691 ( 4.637 -0.378 1.064) 4.773 28.691 ( 4.892 0.867 1.064) 5.081 28.993 ( -2.860 -3.359 1.379) 4.622 28.993 ( 2.551 -3.296 1.379) 4.390 28.993 ( -2.551 3.296 1.379) 4.390 28.993 ( 2.860 3.359 1.379) 4.622 30.052 ( -6.440 -5.484 -5.712) 10.207 30.052 ( -2.333 -4.590 -5.712) 7.690 30.052 ( 2.333 4.590 -5.712) 7.690 30.052 ( 6.440 5.484 -5.712) 10.207 ======================= Grid point 105 (37/60) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( 0.000 0.000 -5.018) 5.018 1.158 ( 0.000 0.000 0.780) 0.780 1.175 ( 0.000 0.000 13.425) 13.425 1.308 ( 0.000 0.000 -1.631) 1.631 1.350 ( 0.000 0.000 -2.626) 2.626 1.397 ( 0.000 0.000 4.319) 4.319 1.530 ( 0.000 0.000 9.684) 9.684 1.576 ( 0.000 0.000 -7.866) 7.866 1.709 ( 0.000 0.000 -6.561) 6.561 1.821 ( 0.000 0.000 -2.628) 2.628 1.874 ( 0.000 0.000 2.033) 2.033 1.954 ( 0.000 0.000 3.920) 3.920 2.023 ( 0.000 0.000 -1.819) 1.819 2.034 ( 0.000 0.000 0.568) 0.568 2.100 ( 0.000 0.000 24.129) 24.129 2.293 ( 0.000 0.000 2.068) 2.068 2.297 ( 0.000 0.000 -6.578) 6.578 2.327 ( 0.000 0.000 -8.444) 8.444 2.356 ( 0.000 0.000 3.227) 3.227 2.381 ( 0.000 0.000 -1.570) 1.570 2.419 ( 0.000 0.000 3.750) 3.750 2.472 ( 0.000 0.000 -0.941) 0.941 2.553 ( 0.000 0.000 -4.824) 4.824 2.654 ( 0.000 0.000 0.811) 0.811 2.657 ( 0.000 0.000 -3.729) 3.729 2.691 ( 0.000 0.000 -5.389) 5.389 2.716 ( 0.000 0.000 -0.814) 0.814 2.764 ( 0.000 0.000 -0.458) 0.458 2.788 ( 0.000 0.000 -1.165) 1.165 2.858 ( 0.000 0.000 3.278) 3.278 2.975 ( 0.000 0.000 0.413) 0.413 3.008 ( 0.000 0.000 -1.600) 1.600 3.014 ( 0.000 0.000 -6.198) 6.198 3.046 ( 0.000 0.000 2.220) 2.220 3.076 ( 0.000 0.000 0.181) 0.181 3.116 ( 0.000 0.000 -0.509) 0.509 3.283 ( 0.000 0.000 8.038) 8.038 3.489 ( 0.000 0.000 3.333) 3.333 3.512 ( 0.000 0.000 0.847) 0.847 3.538 ( 0.000 0.000 -5.857) 5.857 3.815 ( 0.000 0.000 -2.449) 2.449 3.835 ( 0.000 0.000 -2.098) 2.098 4.152 ( 0.000 0.000 0.264) 0.264 4.200 ( 0.000 0.000 3.499) 3.499 4.264 ( 0.000 0.000 1.324) 1.324 4.280 ( 0.000 0.000 2.971) 2.971 4.330 ( 0.000 0.000 -0.241) 0.241 4.343 ( 0.000 0.000 -2.205) 2.205 4.430 ( 0.000 0.000 1.577) 1.577 4.490 ( 0.000 0.000 -1.445) 1.445 4.601 ( 0.000 0.000 5.605) 5.605 4.680 ( 0.000 0.000 2.230) 2.230 4.695 ( 0.000 0.000 -0.388) 0.388 4.722 ( 0.000 0.000 0.428) 0.428 4.843 ( 0.000 0.000 8.158) 8.158 4.872 ( 0.000 0.000 -5.371) 5.371 4.882 ( 0.000 0.000 -4.130) 4.130 5.157 ( 0.000 0.000 -2.366) 2.366 5.221 ( 0.000 0.000 -1.634) 1.634 5.593 ( 0.000 0.000 -18.181) 18.181 11.374 ( 0.000 0.000 -1.353) 1.353 11.401 ( 0.000 0.000 -2.474) 2.474 11.507 ( 0.000 0.000 0.802) 0.802 11.511 ( 0.000 0.000 3.111) 3.111 11.542 ( 0.000 0.000 -0.859) 0.859 11.675 ( 0.000 0.000 -5.073) 5.073 11.766 ( 0.000 0.000 0.282) 0.282 11.784 ( 0.000 0.000 -0.596) 0.596 15.763 ( 0.000 0.000 1.544) 1.544 15.795 ( 0.000 0.000 0.850) 0.850 15.839 ( 0.000 0.000 0.973) 0.973 15.880 ( 0.000 0.000 -0.789) 0.789 15.908 ( 0.000 0.000 -0.542) 0.542 15.923 ( 0.000 0.000 -0.240) 0.240 16.014 ( 0.000 0.000 2.843) 2.843 16.020 ( 0.000 0.000 3.234) 3.234 16.041 ( 0.000 0.000 1.676) 1.676 16.137 ( 0.000 0.000 -2.240) 2.240 16.163 ( 0.000 0.000 0.530) 0.530 16.222 ( 0.000 0.000 -2.825) 2.825 26.215 ( 0.000 0.000 0.284) 0.284 26.220 ( 0.000 0.000 0.125) 0.125 26.240 ( 0.000 0.000 0.312) 0.312 26.243 ( 0.000 0.000 0.354) 0.354 28.573 ( 0.000 0.000 3.837) 3.837 28.637 ( 0.000 0.000 4.244) 4.244 28.781 ( 0.000 0.000 -5.205) 5.205 28.849 ( 0.000 0.000 -4.920) 4.920 29.018 ( 0.000 0.000 0.544) 0.544 29.087 ( 0.000 0.000 -2.896) 2.896 29.245 ( 0.000 0.000 6.203) 6.203 29.402 ( 0.000 0.000 2.004) 2.004 29.423 ( 0.000 0.000 -2.142) 2.142 29.599 ( 0.000 0.000 -7.294) 7.294 29.994 ( 0.000 0.000 2.382) 2.382 30.142 ( 0.000 0.000 -4.837) 4.837 ======================= Grid point 106 (38/60) ======================= q-point: ( 0.25 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( 1.212 0.000 -4.223) 4.394 1.165 ( -0.673 0.000 -3.204) 3.274 1.171 ( 1.198 0.000 15.376) 15.422 1.302 ( 0.686 0.000 -1.795) 1.921 1.372 ( 0.560 0.000 -3.731) 3.773 1.417 ( 3.616 0.000 6.496) 7.435 1.456 ( -6.969 0.000 11.643) 13.569 1.644 ( 3.188 0.000 -7.638) 8.277 1.715 ( -1.813 0.000 -0.408) 1.858 1.771 ( 1.804 0.000 -2.994) 3.496 1.819 ( -6.567 0.000 3.611) 7.494 1.960 ( 3.471 0.000 -1.419) 3.750 1.980 ( -2.736 0.000 -2.801) 3.916 2.010 ( -2.369 0.000 -2.756) 3.634 2.223 ( -1.317 0.000 -6.577) 6.707 2.239 ( 4.363 0.000 6.546) 7.867 2.281 ( -0.444 0.000 2.022) 2.070 2.337 ( 3.622 0.000 -1.215) 3.820 2.357 ( -1.014 0.000 0.501) 1.131 2.409 ( 2.243 0.000 1.429) 2.660 2.460 ( -1.665 0.000 -0.938) 1.911 2.508 ( -2.284 0.000 -4.085) 4.680 2.514 ( 1.843 0.000 3.666) 4.103 2.662 ( -3.711 0.000 1.200) 3.901 2.686 ( -0.579 0.000 1.139) 1.278 2.694 ( 5.463 0.000 -0.054) 5.463 2.746 ( 7.798 0.000 -2.927) 8.329 2.759 ( 3.793 0.000 -2.581) 4.588 2.828 ( -4.965 0.000 7.663) 9.131 2.836 ( 0.555 0.000 -3.746) 3.787 2.982 ( -2.417 0.000 -0.354) 2.442 2.987 ( 2.075 0.000 1.265) 2.431 3.033 ( 1.343 0.000 -0.869) 1.600 3.062 ( 1.126 0.000 1.682) 2.024 3.114 ( -0.374 0.000 -0.271) 0.462 3.121 ( 0.138 0.000 -3.581) 3.583 3.219 ( -1.883 0.000 9.014) 9.209 3.415 ( -5.886 0.000 2.403) 6.358 3.481 ( -1.194 0.000 -3.054) 3.279 3.537 ( -0.869 0.000 -4.029) 4.122 3.825 ( 0.428 0.000 -1.153) 1.230 3.862 ( 2.251 0.000 -2.668) 3.491 4.134 ( -1.586 0.000 1.307) 2.056 4.185 ( -2.344 0.000 2.524) 3.445 4.263 ( -0.056 0.000 1.508) 1.509 4.272 ( -0.552 0.000 2.490) 2.550 4.334 ( 0.775 0.000 -0.855) 1.154 4.356 ( 0.611 0.000 -1.794) 1.895 4.480 ( 4.019 0.000 1.360) 4.243 4.534 ( 4.892 0.000 -0.917) 4.977 4.602 ( -0.467 0.000 6.055) 6.073 4.673 ( -0.290 0.000 1.935) 1.956 4.714 ( -1.097 0.000 -0.286) 1.134 4.722 ( 2.717 0.000 0.483) 2.760 4.856 ( 0.149 0.000 5.261) 5.263 4.860 ( -0.075 0.000 -3.615) 3.615 4.888 ( -0.188 0.000 -4.420) 4.424 5.049 ( -6.695 0.000 1.935) 6.969 5.310 ( 5.194 0.000 -7.905) 9.458 5.539 ( -4.499 0.000 -16.304) 16.913 11.369 ( 0.567 0.000 0.192) 0.599 11.454 ( 3.836 0.000 -3.699) 5.329 11.472 ( -3.080 0.000 3.049) 4.334 11.547 ( 3.485 0.000 0.642) 3.544 11.577 ( 3.050 0.000 -0.763) 3.144 11.638 ( -3.321 0.000 -5.088) 6.076 11.730 ( -3.223 0.000 0.268) 3.234 11.747 ( -3.238 0.000 -0.568) 3.288 15.771 ( 0.676 0.000 1.524) 1.667 15.799 ( -0.063 0.000 0.703) 0.706 15.848 ( 0.772 0.000 1.061) 1.312 15.880 ( -0.199 0.000 -0.118) 0.231 15.917 ( 0.674 0.000 -0.435) 0.803 15.926 ( 0.165 0.000 -0.256) 0.305 16.032 ( 1.242 0.000 2.009) 2.362 16.034 ( 1.551 0.000 2.581) 3.011 16.058 ( 1.468 0.000 1.608) 2.177 16.118 ( -1.723 0.000 -1.765) 2.467 16.151 ( -0.707 0.000 0.244) 0.748 16.208 ( -1.384 0.000 -2.425) 2.792 26.217 ( 0.189 0.000 0.301) 0.355 26.222 ( 0.239 0.000 0.081) 0.252 26.234 ( -0.457 0.000 0.384) 0.597 26.239 ( -0.349 0.000 0.232) 0.419 28.609 ( 3.103 0.000 2.497) 3.983 28.672 ( 2.849 0.000 3.345) 4.394 28.760 ( -1.897 0.000 -4.227) 4.633 28.825 ( -2.235 0.000 -3.486) 4.141 29.028 ( 0.865 0.000 0.452) 0.976 29.077 ( -0.922 0.000 -1.762) 1.989 29.258 ( 1.342 0.000 5.171) 5.342 29.384 ( -3.265 0.000 -0.598) 3.319 29.431 ( 2.563 0.000 0.023) 2.563 29.570 ( -2.569 0.000 -6.330) 6.832 30.018 ( 2.010 0.000 0.846) 2.181 30.120 ( -1.898 0.000 -4.038) 4.461 ======================= Grid point 107 (39/60) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( -2.581 0.000 -3.702) 4.513 1.120 ( 2.581 0.000 -3.702) 4.513 1.272 ( -8.043 0.000 15.040) 17.056 1.272 ( 8.043 0.000 15.040) 17.056 1.345 ( -2.290 0.000 -5.557) 6.010 1.345 ( 2.290 0.000 -5.557) 6.010 1.574 ( -9.995 0.000 9.221) 13.598 1.574 ( 9.995 0.000 9.221) 13.598 1.696 ( -2.294 0.000 -4.558) 5.103 1.696 ( 2.294 0.000 -4.558) 5.103 1.918 ( -5.878 0.000 -4.745) 7.554 1.918 ( 5.878 0.000 -4.745) 7.554 1.985 ( -1.461 0.000 -2.890) 3.238 1.985 ( 1.461 0.000 -2.890) 3.238 2.220 ( -2.211 0.000 -12.632) 12.824 2.220 ( 2.211 0.000 -12.632) 12.824 2.306 ( -2.683 0.000 2.861) 3.922 2.306 ( 2.683 0.000 2.861) 3.922 2.422 ( -1.623 0.000 0.567) 1.719 2.422 ( 1.623 0.000 0.567) 1.719 2.461 ( -2.391 0.000 -1.753) 2.965 2.461 ( 2.391 0.000 -1.753) 2.965 2.635 ( -11.076 0.000 11.572) 16.019 2.635 ( 11.076 0.000 11.572) 16.019 2.645 ( -1.841 0.000 -0.033) 1.841 2.645 ( 1.841 0.000 -0.033) 1.841 2.825 ( -1.757 0.000 -2.622) 3.156 2.825 ( 1.757 0.000 -2.622) 3.156 2.894 ( -7.244 0.000 0.235) 7.248 2.894 ( 7.244 0.000 0.235) 7.248 2.943 ( -11.204 0.000 6.942) 13.181 2.943 ( 11.204 0.000 6.942) 13.181 3.034 ( -1.504 0.000 0.726) 1.670 3.034 ( 1.504 0.000 0.726) 1.670 3.092 ( -1.560 0.000 0.122) 1.565 3.092 ( 1.560 0.000 0.122) 1.565 3.303 ( -4.915 0.000 0.764) 4.974 3.303 ( 4.915 0.000 0.764) 4.974 3.491 ( -2.374 0.000 -5.266) 5.777 3.491 ( 2.374 0.000 -5.266) 5.777 3.864 ( -2.227 0.000 -0.833) 2.378 3.864 ( 2.227 0.000 -0.833) 2.378 4.125 ( -1.866 0.000 1.771) 2.573 4.125 ( 1.866 0.000 1.771) 2.573 4.264 ( -0.181 0.000 1.868) 1.877 4.264 ( 0.181 0.000 1.868) 1.877 4.355 ( -0.776 0.000 -1.468) 1.661 4.355 ( 0.776 0.000 -1.468) 1.661 4.552 ( -2.757 0.000 3.906) 4.781 4.552 ( 2.757 0.000 3.906) 4.781 4.683 ( -1.262 0.000 0.535) 1.371 4.683 ( 1.262 0.000 0.535) 1.371 4.700 ( -6.325 0.000 -0.274) 6.331 4.700 ( 6.325 0.000 -0.274) 6.331 4.873 ( -0.991 0.000 -3.481) 3.619 4.873 ( 0.991 0.000 -3.481) 3.619 4.905 ( -5.823 0.000 3.366) 6.726 4.905 ( 5.823 0.000 3.366) 6.726 5.427 ( -5.610 0.000 -12.590) 13.784 5.427 ( 5.610 0.000 -12.590) 13.784 11.405 ( -2.691 0.000 2.059) 3.388 11.405 ( 2.691 0.000 2.059) 3.388 11.548 ( -4.667 0.000 -4.760) 6.667 11.548 ( 4.667 0.000 -4.760) 6.667 11.639 ( -4.479 0.000 0.323) 4.491 11.639 ( 4.479 0.000 0.323) 4.491 11.661 ( -4.135 0.000 -0.558) 4.173 11.661 ( 4.135 0.000 -0.558) 4.173 15.788 ( -0.810 0.000 1.164) 1.418 15.788 ( 0.810 0.000 1.164) 1.418 15.868 ( -0.904 0.000 0.882) 1.263 15.868 ( 0.904 0.000 0.882) 1.263 15.927 ( -0.141 0.000 -0.329) 0.358 15.927 ( 0.141 0.000 -0.329) 0.358 16.067 ( -1.140 0.000 2.246) 2.519 16.067 ( 1.140 0.000 2.246) 2.519 16.072 ( -2.274 0.000 -0.284) 2.291 16.072 ( 2.274 0.000 -0.284) 2.291 16.165 ( -2.149 0.000 -1.394) 2.562 16.165 ( 2.149 0.000 -1.394) 2.562 26.223 ( -0.395 0.000 0.295) 0.493 26.223 ( 0.395 0.000 0.295) 0.493 26.231 ( -0.371 0.000 0.162) 0.405 26.231 ( 0.371 0.000 0.162) 0.405 28.684 ( -3.261 0.000 0.231) 3.269 28.684 ( 3.261 0.000 0.231) 3.269 28.761 ( -3.297 0.000 -1.035) 3.456 28.761 ( 3.297 0.000 -1.035) 3.456 29.052 ( -1.286 0.000 -0.180) 1.299 29.052 ( 1.286 0.000 -0.180) 1.299 29.308 ( -3.280 0.000 2.462) 4.101 29.308 ( 3.280 0.000 2.462) 4.101 29.501 ( -3.631 0.000 -3.617) 5.125 29.501 ( 3.631 0.000 -3.617) 5.125 30.069 ( -2.600 0.000 -1.931) 3.238 30.069 ( 2.600 0.000 -1.931) 3.238 ======================= Grid point 110 (40/60) ======================= q-point: ( 0.00 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( 0.000 6.895 -3.944) 7.943 1.206 ( 0.000 3.262 11.569) 12.020 1.222 ( 0.000 4.153 9.007) 9.918 1.317 ( 0.000 0.340 -6.111) 6.121 1.380 ( 0.000 2.038 3.605) 4.141 1.418 ( 0.000 6.073 -1.805) 6.336 1.529 ( 0.000 -0.075 6.643) 6.643 1.623 ( 0.000 3.237 -7.171) 7.867 1.727 ( 0.000 1.712 -5.646) 5.900 1.809 ( 0.000 -1.478 -1.590) 2.171 1.875 ( 0.000 0.159 3.587) 3.590 1.944 ( 0.000 -1.073 3.440) 3.604 1.964 ( 0.000 -3.013 0.153) 3.017 1.997 ( 0.000 -3.429 0.963) 3.562 2.134 ( 0.000 0.964 8.170) 8.227 2.262 ( 0.000 -3.152 -1.808) 3.633 2.268 ( 0.000 -2.674 0.000) 2.674 2.290 ( 0.000 -0.736 2.517) 2.622 2.336 ( 0.000 -5.769 -2.854) 6.437 2.425 ( 0.000 -3.306 -6.663) 7.438 2.437 ( 0.000 4.422 -4.612) 6.389 2.461 ( 0.000 0.891 3.211) 3.333 2.520 ( 0.000 -3.429 -6.231) 7.112 2.586 ( 0.000 -4.232 -0.028) 4.233 2.644 ( 0.000 -0.437 4.880) 4.900 2.718 ( 0.000 3.516 0.319) 3.530 2.719 ( 0.000 -0.596 2.261) 2.338 2.793 ( 0.000 3.406 1.442) 3.698 2.845 ( 0.000 7.893 -1.797) 8.095 2.881 ( 0.000 2.726 0.045) 2.727 2.958 ( 0.000 1.061 -2.767) 2.963 3.003 ( 0.000 -0.647 0.063) 0.650 3.060 ( 0.000 5.961 -2.317) 6.396 3.124 ( 0.000 2.193 -0.301) 2.213 3.164 ( 0.000 7.217 1.381) 7.348 3.202 ( 0.000 6.984 3.481) 7.804 3.312 ( 0.000 2.388 3.526) 4.259 3.492 ( 0.000 -0.894 2.829) 2.967 3.528 ( 0.000 1.845 0.971) 2.085 3.555 ( 0.000 2.796 -5.736) 6.381 3.811 ( 0.000 -0.179 -1.684) 1.694 3.829 ( 0.000 -0.406 -1.471) 1.526 4.141 ( 0.000 -0.951 0.055) 0.952 4.169 ( 0.000 -3.005 3.822) 4.862 4.258 ( 0.000 -1.811 1.697) 2.481 4.283 ( 0.000 1.118 0.572) 1.256 4.311 ( 0.000 -1.104 -0.574) 1.244 4.354 ( 0.000 1.055 -1.609) 1.924 4.442 ( 0.000 0.338 0.931) 0.990 4.476 ( 0.000 -1.549 -1.326) 2.039 4.580 ( 0.000 -0.762 4.600) 4.663 4.687 ( 0.000 -0.186 -0.629) 0.656 4.719 ( 0.000 2.614 3.003) 3.981 4.722 ( 0.000 -0.511 1.035) 1.154 4.821 ( 0.000 -1.895 7.081) 7.330 4.883 ( 0.000 -0.023 -3.312) 3.313 4.920 ( 0.000 4.183 -6.502) 7.732 5.116 ( 0.000 -3.913 -2.377) 4.578 5.207 ( 0.000 -0.822 -1.469) 1.683 5.566 ( 0.000 -2.743 -16.936) 17.157 11.371 ( 0.000 -0.297 -1.351) 1.383 11.393 ( 0.000 -0.730 -2.246) 2.362 11.500 ( 0.000 -0.712 2.806) 2.895 11.510 ( 0.000 0.278 0.712) 0.765 11.540 ( 0.000 -0.213 -0.745) 0.775 11.653 ( 0.000 -2.171 -4.727) 5.202 11.776 ( 0.000 0.936 -0.118) 0.943 11.790 ( 0.000 0.586 -0.787) 0.982 15.771 ( 0.000 0.662 1.382) 1.532 15.796 ( 0.000 -0.052 0.762) 0.764 15.812 ( 0.000 -1.591 0.930) 1.843 15.833 ( 0.000 -2.695 -0.255) 2.707 15.931 ( 0.000 -0.049 0.234) 0.239 15.951 ( 0.000 2.668 -1.068) 2.874 15.990 ( 0.000 -1.138 2.461) 2.711 16.003 ( 0.000 -1.266 2.372) 2.689 16.101 ( 0.000 3.916 1.490) 4.190 16.122 ( 0.000 -1.265 0.041) 1.266 16.180 ( 0.000 1.312 -0.939) 1.614 16.212 ( 0.000 -1.102 -2.959) 3.158 26.215 ( 0.000 0.001 0.271) 0.271 26.219 ( 0.000 -0.061 0.130) 0.144 26.239 ( 0.000 -0.091 0.318) 0.330 26.242 ( 0.000 -0.117 0.347) 0.366 28.576 ( 0.000 0.225 3.490) 3.498 28.624 ( 0.000 -1.390 3.383) 3.657 28.780 ( 0.000 0.419 -3.450) 3.475 28.828 ( 0.000 -1.189 -3.405) 3.606 28.989 ( 0.000 -2.970 1.522) 3.337 29.081 ( 0.000 -2.246 -2.356) 3.255 29.221 ( 0.000 -1.795 4.841) 5.163 29.334 ( 0.000 -4.925 3.264) 5.909 29.478 ( 0.000 4.062 -5.371) 6.734 29.578 ( 0.000 -0.828 -6.921) 6.970 30.061 ( 0.000 5.638 1.418) 5.814 30.187 ( 0.000 3.729 -4.531) 5.868 ======================= Grid point 111 (41/60) ======================= q-point: ( 0.25 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( 0.786 6.541 -2.178) 6.938 1.209 ( 0.826 4.395 9.481) 10.483 1.256 ( 1.548 7.480 1.611) 7.807 1.348 ( 1.828 2.167 -4.344) 5.187 1.368 ( 2.684 -0.241 10.899) 11.228 1.437 ( 0.713 5.785 -2.225) 6.239 1.527 ( -2.748 4.546 6.337) 8.269 1.661 ( 1.774 1.493 -6.809) 7.193 1.700 ( -1.928 -0.591 -0.361) 2.048 1.787 ( -5.788 -0.364 2.812) 6.445 1.805 ( 0.530 -0.512 -1.344) 1.533 1.926 ( 0.598 -3.651 2.016) 4.214 1.956 ( -1.158 -1.674 -3.655) 4.183 1.990 ( -0.843 -1.815 -2.892) 3.517 2.166 ( 0.625 -4.000 -0.393) 4.068 2.185 ( -2.007 -2.678 -3.786) 5.053 2.279 ( -0.368 -2.969 -1.815) 3.499 2.311 ( 1.206 -2.801 0.573) 3.103 2.381 ( -1.169 0.079 -5.902) 6.017 2.401 ( 1.461 -1.228 1.809) 2.630 2.463 ( -0.670 0.829 -1.009) 1.467 2.482 ( -1.313 -2.396 -4.956) 5.659 2.518 ( 2.995 0.626 3.563) 4.696 2.582 ( -1.157 -5.419 1.089) 5.647 2.625 ( 1.983 -1.785 1.316) 2.975 2.750 ( 2.472 0.182 0.610) 2.553 2.769 ( 1.447 0.531 3.557) 3.877 2.796 ( 4.576 7.525 1.582) 8.948 2.836 ( -2.198 2.739 1.587) 3.854 2.907 ( 2.068 3.664 -1.752) 4.557 2.962 ( -0.143 1.501 -1.422) 2.073 3.033 ( 2.359 1.419 3.098) 4.144 3.108 ( 2.768 4.285 -1.428) 5.297 3.119 ( -2.272 3.752 3.676) 5.723 3.143 ( 0.292 7.800 -0.112) 7.806 3.211 ( -1.209 5.818 -0.138) 5.944 3.270 ( -1.127 3.413 6.826) 7.714 3.419 ( -6.421 0.793 2.507) 6.939 3.507 ( -0.500 1.766 -1.646) 2.466 3.538 ( -1.169 1.098 -3.904) 4.220 3.820 ( 0.779 -0.227 -1.092) 1.360 3.865 ( 2.625 0.459 -2.569) 3.702 4.106 ( -2.778 -2.489 1.926) 4.198 4.145 ( -2.479 -2.948 1.693) 4.207 4.289 ( 1.765 0.838 1.033) 2.210 4.297 ( 1.088 2.593 1.035) 2.996 4.336 ( 1.870 0.184 -0.945) 2.103 4.369 ( 1.141 0.723 -1.635) 2.121 4.471 ( 3.147 -0.791 1.685) 3.656 4.510 ( 3.207 -1.952 -0.573) 3.797 4.581 ( -0.506 -0.920 5.249) 5.353 4.674 ( -1.740 -1.276 -0.201) 2.167 4.721 ( 0.665 2.763 1.163) 3.071 4.746 ( 2.581 0.776 2.002) 3.358 4.829 ( -0.123 -1.925 3.525) 4.018 4.879 ( 0.048 0.999 -2.168) 2.387 4.922 ( -0.085 3.351 -5.878) 6.767 5.022 ( -6.247 -2.489 1.083) 6.811 5.269 ( 4.051 -3.686 -6.992) 8.882 5.502 ( -5.287 -3.583 -15.402) 16.673 11.369 ( 0.738 0.054 -0.035) 0.741 11.441 ( 3.545 -1.154 -3.266) 4.956 11.467 ( -2.664 -0.265 2.575) 3.714 11.548 ( 3.203 0.133 0.473) 3.240 11.577 ( 3.245 0.012 -0.753) 3.332 11.619 ( -2.787 -1.749 -4.690) 5.729 11.740 ( -3.272 0.876 -0.131) 3.390 11.754 ( -3.266 0.561 -0.767) 3.401 15.775 ( 0.413 0.371 1.437) 1.540 15.796 ( -0.093 -0.396 0.662) 0.777 15.812 ( 0.223 -2.306 0.946) 2.503 15.835 ( -0.133 -2.722 -0.069) 2.726 15.938 ( 0.705 0.944 0.211) 1.197 15.955 ( -0.042 2.164 -0.114) 2.167 16.013 ( 2.396 -0.756 1.292) 2.825 16.023 ( 1.674 -1.092 2.030) 2.848 16.095 ( -0.876 1.314 1.731) 2.344 16.117 ( -0.343 0.792 -0.317) 0.919 16.161 ( -1.189 0.855 -0.776) 1.657 16.201 ( -1.114 -0.782 -2.415) 2.772 26.216 ( 0.174 -0.011 0.288) 0.337 26.222 ( 0.218 -0.087 0.095) 0.253 26.234 ( -0.447 -0.078 0.373) 0.588 26.238 ( -0.358 -0.133 0.243) 0.452 28.613 ( 3.204 0.362 2.299) 3.960 28.659 ( 2.992 -1.346 2.578) 4.173 28.760 ( -1.917 0.414 -2.796) 3.415 28.805 ( -2.189 -1.329 -2.438) 3.536 29.000 ( 0.948 -2.813 1.144) 3.181 29.066 ( -1.496 -1.542 -1.716) 2.750 29.196 ( -0.410 -4.864 4.172) 6.421 29.310 ( -3.474 -5.618 0.406) 6.618 29.519 ( 4.651 6.653 -2.509) 8.496 29.622 ( 2.128 4.279 -5.657) 7.405 30.048 ( -0.653 2.803 0.323) 2.897 30.143 ( -3.640 1.967 -4.030) 5.776 ======================= Grid point 112 (42/60) ======================= q-point: (-0.50 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( -2.294 6.080 -1.202) 6.609 1.189 ( 2.294 6.080 -1.202) 6.609 1.326 ( -4.717 5.262 7.609) 10.385 1.326 ( 4.717 5.262 7.609) 10.385 1.435 ( -1.468 8.013 -1.029) 8.212 1.435 ( 1.468 8.013 -1.029) 8.212 1.556 ( -10.175 -1.563 8.042) 13.063 1.556 ( 10.175 -1.563 8.042) 13.063 1.690 ( -2.319 -0.598 -2.514) 3.473 1.690 ( 2.319 -0.598 -2.514) 3.473 1.916 ( -4.707 -0.613 -4.079) 6.258 1.916 ( 4.707 -0.613 -4.079) 6.258 1.950 ( -2.221 -2.983 -2.902) 4.717 1.950 ( 2.221 -2.983 -2.902) 4.717 2.165 ( -1.503 -4.355 -9.248) 10.332 2.165 ( 1.503 -4.355 -9.248) 10.332 2.283 ( -1.799 -3.114 -0.391) 3.618 2.283 ( 1.799 -3.114 -0.391) 3.618 2.391 ( -1.444 -1.211 -1.074) 2.169 2.391 ( 1.444 -1.211 -1.074) 2.169 2.462 ( -2.168 0.256 -1.245) 2.513 2.462 ( 2.168 0.256 -1.245) 2.513 2.567 ( -1.455 -3.602 0.635) 3.936 2.567 ( 1.455 -3.602 0.635) 3.936 2.704 ( -4.927 2.389 6.115) 8.208 2.704 ( 4.927 2.389 6.115) 8.208 2.812 ( -1.271 -0.664 -0.937) 1.713 2.812 ( 1.271 -0.664 -0.937) 1.713 2.911 ( -3.180 1.243 0.027) 3.414 2.911 ( 3.180 1.243 0.027) 3.414 3.014 ( -7.193 6.228 6.866) 11.733 3.014 ( 7.193 6.228 6.866) 11.733 3.106 ( -4.243 5.005 2.139) 6.901 3.106 ( 4.243 5.005 2.139) 6.901 3.150 ( -0.764 5.716 0.307) 5.775 3.150 ( 0.764 5.716 0.307) 5.775 3.313 ( -3.245 1.043 2.571) 4.269 3.313 ( 3.245 1.043 2.571) 4.269 3.511 ( -1.165 1.743 -3.774) 4.317 3.511 ( 1.165 1.743 -3.774) 4.317 3.868 ( -2.645 0.665 -1.276) 3.012 3.868 ( 2.645 0.665 -1.276) 3.012 4.085 ( -1.867 -3.090 1.422) 3.880 4.085 ( 1.867 -3.090 1.422) 3.880 4.310 ( -0.143 3.445 1.271) 3.675 4.310 ( 0.143 3.445 1.271) 3.675 4.372 ( -1.119 1.525 -1.677) 2.528 4.372 ( 1.119 1.525 -1.677) 2.528 4.542 ( -2.994 -1.107 3.750) 4.925 4.542 ( 2.994 -1.107 3.750) 4.925 4.605 ( -4.208 -3.426 1.112) 5.539 4.605 ( 4.208 -3.426 1.112) 5.539 4.766 ( -2.788 2.498 -0.695) 3.807 4.766 ( 2.788 2.498 -0.695) 3.807 4.859 ( -4.117 -1.070 0.727) 4.316 4.859 ( 4.117 -1.070 0.727) 4.316 4.918 ( -1.963 1.370 -1.541) 2.847 4.918 ( 1.963 1.370 -1.541) 2.847 5.376 ( -5.863 -4.983 -11.993) 14.249 5.376 ( 5.863 -4.983 -11.993) 14.249 11.406 ( -2.571 0.201 1.580) 3.024 11.406 ( 2.571 0.201 1.580) 3.024 11.529 ( -4.248 -1.741 -4.037) 6.113 11.529 ( 4.248 -1.741 -4.037) 6.113 11.649 ( -4.286 0.756 -0.198) 4.356 11.649 ( 4.286 0.756 -0.198) 4.356 11.666 ( -4.153 0.391 -0.730) 4.235 11.666 ( 4.153 0.391 -0.730) 4.235 15.787 ( -0.628 -0.161 1.134) 1.306 15.787 ( 0.628 -0.161 1.134) 1.306 15.825 ( -0.743 -2.930 0.542) 3.071 15.825 ( 0.743 -2.930 0.542) 3.071 15.951 ( -0.360 1.655 0.230) 1.709 15.951 ( 0.360 1.655 0.230) 1.709 16.058 ( -1.332 -0.650 0.852) 1.710 16.058 ( 1.332 -0.650 0.852) 1.710 16.084 ( -2.229 0.761 1.119) 2.608 16.084 ( 2.229 0.761 1.119) 2.608 16.168 ( -1.607 0.039 -1.461) 2.172 16.168 ( 1.607 0.039 -1.461) 2.172 26.223 ( -0.373 -0.042 0.288) 0.473 26.223 ( 0.373 -0.042 0.288) 0.473 26.229 ( -0.355 -0.134 0.175) 0.418 26.229 ( 0.355 -0.134 0.175) 0.418 28.692 ( -3.334 0.632 0.415) 3.419 28.692 ( 3.334 0.632 0.415) 3.419 28.741 ( -3.303 -1.570 -0.738) 3.731 28.741 ( 3.303 -1.570 -0.738) 3.731 29.028 ( -1.699 -2.150 0.190) 2.747 29.028 ( 1.699 -2.150 0.190) 2.747 29.229 ( -3.206 -5.942 1.238) 6.865 29.229 ( 3.206 -5.942 1.238) 6.865 29.616 ( -3.060 9.101 -2.844) 10.014 29.616 ( 3.060 9.101 -2.844) 10.014 30.066 ( -2.689 -0.473 -2.427) 3.653 30.066 ( 2.689 -0.473 -2.427) 3.653 ======================= Grid point 115 (43/60) ======================= q-point: ( 0.00 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( 0.000 0.147 10.187) 10.188 1.270 ( 0.000 3.872 -0.351) 3.887 1.299 ( 0.000 5.687 7.694) 9.567 1.395 ( 0.000 3.749 -2.025) 4.261 1.457 ( 0.000 4.232 1.984) 4.674 1.486 ( 0.000 -0.229 1.327) 1.346 1.598 ( 0.000 7.779 -1.411) 7.906 1.690 ( 0.000 3.811 -4.883) 6.194 1.776 ( 0.000 3.276 -4.386) 5.475 1.784 ( 0.000 -0.588 -0.174) 0.613 1.875 ( 0.000 -0.607 9.668) 9.687 1.915 ( 0.000 -2.991 -0.942) 3.136 1.916 ( 0.000 -1.282 0.257) 1.307 1.925 ( 0.000 -2.067 -2.428) 3.189 2.115 ( 0.000 -2.035 -0.663) 2.140 2.137 ( 0.000 -7.857 -0.977) 7.917 2.174 ( 0.000 -6.742 -0.529) 6.763 2.229 ( 0.000 -5.711 -8.440) 10.191 2.300 ( 0.000 0.661 -0.225) 0.699 2.354 ( 0.000 -2.678 -7.645) 8.101 2.391 ( 0.000 -3.003 -0.630) 3.068 2.424 ( 0.000 -4.980 -0.885) 5.058 2.541 ( 0.000 3.558 -4.260) 5.551 2.557 ( 0.000 0.515 -1.580) 1.662 2.678 ( 0.000 3.364 8.292) 8.949 2.724 ( 0.000 0.808 4.048) 4.128 2.787 ( 0.000 3.305 3.461) 4.786 2.951 ( 0.000 1.645 0.408) 1.695 2.955 ( 0.000 9.801 5.565) 11.270 2.975 ( 0.000 2.076 3.029) 3.672 2.988 ( 0.000 2.651 -0.688) 2.739 2.997 ( 0.000 2.504 -1.544) 2.942 3.176 ( 0.000 2.320 3.114) 3.884 3.186 ( 0.000 5.432 1.034) 5.530 3.284 ( 0.000 1.084 5.656) 5.759 3.302 ( 0.000 6.841 -1.563) 7.017 3.392 ( 0.000 5.574 -3.373) 6.515 3.438 ( 0.000 -4.109 4.218) 5.889 3.580 ( 0.000 3.001 0.140) 3.004 3.629 ( 0.000 2.940 -5.859) 6.555 3.822 ( 0.000 1.437 0.459) 1.508 3.823 ( 0.000 -0.064 -0.257) 0.265 4.096 ( 0.000 -3.588 3.189) 4.800 4.116 ( 0.000 -1.675 -0.311) 1.704 4.226 ( 0.000 -1.094 0.930) 1.436 4.258 ( 0.000 -2.236 -1.569) 2.732 4.333 ( 0.000 1.878 -0.046) 1.879 4.374 ( 0.000 0.626 -2.024) 2.118 4.426 ( 0.000 -1.509 0.363) 1.552 4.435 ( 0.000 -2.067 -1.188) 2.384 4.593 ( 0.000 1.903 3.302) 3.812 4.690 ( 0.000 -0.903 -0.315) 0.957 4.700 ( 0.000 -0.289 1.648) 1.673 4.749 ( 0.000 -0.577 4.151) 4.191 4.799 ( 0.000 1.042 2.487) 2.697 4.875 ( 0.000 -0.975 -1.161) 1.517 4.981 ( 0.000 0.721 -6.581) 6.621 5.026 ( 0.000 -4.292 -2.765) 5.106 5.235 ( 0.000 4.680 -3.274) 5.712 5.487 ( 0.000 -5.225 -13.417) 14.398 11.365 ( 0.000 -0.209 -1.368) 1.384 11.376 ( 0.000 -0.785 -1.807) 1.970 11.499 ( 0.000 0.849 1.293) 1.547 11.517 ( 0.000 0.424 0.378) 0.568 11.534 ( 0.000 -0.373 -0.439) 0.577 11.597 ( 0.000 -3.248 -3.479) 4.759 11.796 ( 0.000 0.927 -0.877) 1.277 11.803 ( 0.000 0.555 -1.169) 1.294 15.782 ( 0.000 0.351 0.322) 0.477 15.784 ( 0.000 -0.829 0.042) 0.830 15.796 ( 0.000 -0.159 1.202) 1.213 15.803 ( 0.000 -0.388 0.916) 0.995 15.913 ( 0.000 -0.945 1.726) 1.968 15.961 ( 0.000 -2.241 1.257) 2.569 15.996 ( 0.000 1.474 1.333) 1.987 16.016 ( 0.000 3.365 -0.860) 3.473 16.089 ( 0.000 -2.042 0.902) 2.232 16.153 ( 0.000 -0.529 0.353) 0.636 16.187 ( 0.000 0.128 -2.511) 2.514 16.202 ( 0.000 0.749 -0.830) 1.118 26.215 ( 0.000 0.031 0.236) 0.239 26.218 ( 0.000 -0.085 0.149) 0.172 26.238 ( 0.000 -0.034 0.319) 0.321 26.239 ( 0.000 -0.110 0.335) 0.352 28.577 ( 0.000 -0.129 2.424) 2.427 28.593 ( 0.000 -1.387 2.082) 2.502 28.808 ( 0.000 2.155 -0.303) 2.176 28.827 ( 0.000 0.993 -0.424) 1.080 28.925 ( 0.000 -2.584 1.350) 2.915 28.993 ( 0.000 -5.358 -1.120) 5.474 29.176 ( 0.000 -2.754 3.088) 4.137 29.225 ( 0.000 -5.553 3.123) 6.370 29.568 ( 0.000 4.251 -7.792) 8.876 29.596 ( 0.000 2.038 -7.694) 7.959 30.175 ( 0.000 5.172 0.209) 5.177 30.249 ( 0.000 1.853 -3.186) 3.686 ======================= Grid point 116 (44/60) ======================= q-point: ( 0.25 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( 1.008 4.732 0.855) 4.913 1.302 ( 4.243 1.183 8.427) 9.509 1.332 ( 4.728 4.705 7.933) 10.364 1.428 ( 0.947 7.000 -2.210) 7.401 1.452 ( 1.035 4.197 1.460) 4.562 1.533 ( 2.923 2.989 2.726) 4.991 1.624 ( 1.861 4.522 -0.873) 4.967 1.694 ( -4.540 -0.054 2.177) 5.035 1.712 ( -4.049 1.135 -2.067) 4.685 1.750 ( -3.901 1.205 0.650) 4.134 1.800 ( 0.897 -1.699 -0.028) 1.922 1.841 ( -1.878 -3.053 1.979) 4.095 1.943 ( 0.346 -0.714 -4.410) 4.481 1.948 ( -0.512 -0.704 -3.464) 3.572 2.080 ( -1.146 -4.215 -5.810) 7.269 2.126 ( -3.996 -4.311 -7.289) 9.364 2.206 ( 2.757 -3.357 0.030) 4.344 2.258 ( 3.670 -3.726 -4.242) 6.735 2.322 ( -3.682 -0.869 -3.803) 5.364 2.378 ( 3.015 -4.559 -1.426) 5.649 2.408 ( 2.588 -1.264 -1.221) 3.128 2.461 ( 2.442 -4.617 -0.256) 5.229 2.506 ( -2.859 1.310 -1.994) 3.724 2.547 ( -0.857 0.718 -3.915) 4.071 2.654 ( 1.668 4.136 5.695) 7.234 2.739 ( 1.209 -0.029 3.202) 3.422 2.804 ( 0.369 1.715 5.267) 5.552 2.895 ( -3.806 1.628 0.723) 4.202 2.932 ( -1.852 4.535 -2.235) 5.384 3.000 ( -0.295 2.675 -0.093) 2.693 3.014 ( 4.080 4.985 3.129) 7.161 3.039 ( 2.494 0.320 3.192) 4.064 3.179 ( 0.718 3.929 5.329) 6.659 3.216 ( 1.842 4.507 1.079) 4.987 3.284 ( -1.924 5.491 0.928) 5.892 3.301 ( 1.416 0.931 4.001) 4.345 3.343 ( -3.148 5.740 0.852) 6.602 3.435 ( -1.416 -1.337 2.974) 3.554 3.521 ( -2.863 2.062 3.705) 5.117 3.596 ( -3.152 2.203 -2.127) 4.394 3.832 ( 1.963 1.675 -1.461) 2.965 3.884 ( 3.748 1.214 -1.741) 4.307 4.044 ( -3.737 -3.040 2.121) 5.264 4.093 ( -2.586 -2.432 -0.398) 3.572 4.292 ( 4.919 -0.209 0.170) 4.926 4.321 ( 5.090 -1.223 -0.614) 5.271 4.353 ( 1.366 2.036 0.210) 2.461 4.383 ( 0.700 0.777 -1.417) 1.762 4.452 ( 2.538 -0.769 1.184) 2.905 4.476 ( 3.094 -1.389 -1.029) 3.544 4.585 ( -1.009 1.469 3.569) 3.989 4.664 ( -2.774 -0.732 -0.025) 2.869 4.725 ( 2.346 -0.077 1.974) 3.067 4.784 ( 1.986 -0.355 2.333) 3.084 4.805 ( 0.875 1.466 1.662) 2.383 4.881 ( 0.439 -0.918 -0.380) 1.086 4.969 ( -3.553 -1.874 -1.742) 4.378 4.995 ( 0.530 2.013 -9.247) 9.478 5.206 ( -1.831 -0.697 -4.832) 5.214 5.406 ( -6.890 -5.971 -12.756) 15.679 11.374 ( 1.266 0.439 -0.628) 1.480 11.414 ( 2.888 -1.463 -2.391) 4.024 11.473 ( -2.222 1.000 1.021) 2.642 11.545 ( 0.390 -0.921 -0.661) 1.199 11.576 ( 3.617 -0.176 -0.650) 3.679 11.580 ( 0.624 -1.536 -2.664) 3.138 11.758 ( -3.408 0.855 -0.854) 3.616 11.765 ( -3.371 0.493 -1.139) 3.592 15.778 ( -0.183 -0.554 0.208) 0.619 15.781 ( -0.478 -0.415 0.853) 1.062 15.783 ( -0.336 -0.541 0.941) 1.136 15.799 ( -0.671 -1.146 0.399) 1.386 15.949 ( 2.449 0.324 1.555) 2.919 15.987 ( 1.118 -0.182 2.022) 2.318 16.000 ( 1.246 0.267 0.857) 1.536 16.031 ( 1.747 2.575 -0.923) 3.246 16.080 ( -0.893 -1.711 1.329) 2.343 16.144 ( -0.898 -0.176 0.007) 0.915 16.174 ( -1.048 0.076 -1.806) 2.090 16.181 ( -1.789 -0.314 -0.912) 2.032 26.216 ( 0.156 0.026 0.250) 0.296 26.219 ( 0.182 -0.109 0.136) 0.252 26.232 ( -0.435 -0.021 0.340) 0.552 26.235 ( -0.384 -0.136 0.266) 0.486 28.618 ( 3.501 0.021 1.643) 3.867 28.630 ( 3.234 -1.184 1.544) 3.774 28.779 ( -2.571 1.175 -0.194) 2.834 28.795 ( -2.795 0.340 -0.311) 2.833 28.944 ( 1.614 -1.832 1.133) 2.692 29.008 ( 0.957 -3.793 -1.363) 4.143 29.108 ( -3.482 -3.305 2.913) 5.615 29.189 ( -3.693 -6.093 0.708) 7.160 29.652 ( 7.723 6.059 -4.644) 10.859 29.706 ( 7.630 3.460 -6.100) 10.363 30.112 ( -5.268 3.278 -0.506) 6.225 30.175 ( -6.365 0.765 -3.273) 7.198 ======================= Grid point 117 (45/60) ======================= q-point: (-0.50 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( -2.089 6.237 2.621) 7.081 1.318 ( 2.089 6.237 2.621) 7.081 1.451 ( -4.145 5.188 5.469) 8.603 1.451 ( 4.145 5.188 5.469) 8.603 1.512 ( -6.913 -0.306 5.002) 8.538 1.512 ( 6.913 -0.306 5.002) 8.538 1.601 ( -1.398 4.470 0.434) 4.703 1.601 ( 1.398 4.470 0.434) 4.703 1.688 ( -3.205 1.946 -0.823) 3.839 1.688 ( 3.205 1.946 -0.823) 3.839 1.842 ( -2.644 -4.783 0.635) 5.502 1.842 ( 2.644 -4.783 0.635) 5.502 1.938 ( -0.779 0.636 -6.571) 6.648 1.938 ( 0.779 0.636 -6.571) 6.648 2.072 ( -0.851 -4.662 -10.081) 11.140 2.072 ( 0.851 -4.662 -10.081) 11.140 2.243 ( -2.635 -0.297 -1.802) 3.206 2.243 ( 2.635 -0.297 -1.802) 3.206 2.343 ( -3.766 -3.441 -2.672) 5.758 2.343 ( 3.766 -3.441 -2.672) 5.758 2.479 ( -2.592 0.677 -2.316) 3.541 2.479 ( 2.592 0.677 -2.316) 3.541 2.506 ( -1.271 -2.246 -1.289) 2.884 2.506 ( 1.271 -2.246 -1.289) 2.884 2.742 ( -3.108 1.924 5.934) 6.970 2.742 ( 3.108 1.924 5.934) 6.970 2.809 ( -2.545 0.048 0.813) 2.673 2.809 ( 2.545 0.048 0.813) 2.673 2.949 ( -3.101 2.652 -1.916) 4.508 2.949 ( 3.101 2.652 -1.916) 4.508 3.075 ( -0.292 -1.772 1.599) 2.404 3.075 ( 0.292 -1.772 1.599) 2.404 3.220 ( -3.027 7.265 7.053) 10.568 3.220 ( 3.027 7.265 7.053) 10.568 3.270 ( -2.937 4.782 1.461) 5.799 3.270 ( 2.937 4.782 1.461) 5.799 3.360 ( -3.844 3.822 4.608) 7.115 3.360 ( 3.844 3.822 4.608) 7.115 3.527 ( -2.593 -1.039 2.265) 3.596 3.527 ( 2.593 -1.039 2.265) 3.596 3.899 ( -3.233 2.505 -2.073) 4.585 3.899 ( 3.233 2.505 -2.073) 4.585 4.022 ( -2.962 -3.211 0.260) 4.376 4.022 ( 2.962 -3.211 0.260) 4.376 4.366 ( -0.877 1.815 0.453) 2.066 4.366 ( 0.877 1.815 0.453) 2.066 4.394 ( -0.642 0.107 -0.273) 0.706 4.394 ( 0.642 0.107 -0.273) 0.706 4.523 ( -2.316 0.360 1.192) 2.630 4.523 ( 2.316 0.360 1.192) 2.630 4.574 ( -3.752 -0.404 1.136) 3.941 4.574 ( 3.752 -0.404 1.136) 3.941 4.785 ( -2.369 0.248 0.937) 2.559 4.785 ( 2.369 0.248 0.937) 2.559 4.842 ( -2.588 -1.048 1.111) 3.006 4.842 ( 2.588 -1.048 1.111) 3.006 4.972 ( -3.448 4.441 -5.310) 7.733 4.972 ( 3.448 4.441 -5.310) 7.733 5.245 ( -6.360 -7.761 -10.469) 14.501 5.245 ( 6.360 -7.761 -10.469) 14.501 11.417 ( -2.604 0.985 0.311) 2.801 11.417 ( 2.604 0.985 0.311) 2.801 11.488 ( -3.683 -2.248 -2.797) 5.142 11.488 ( 3.683 -2.248 -2.797) 5.142 11.663 ( -4.314 0.662 -0.760) 4.430 11.663 ( 4.314 0.662 -0.760) 4.430 11.673 ( -4.267 0.215 -0.983) 4.384 11.673 ( 4.267 0.215 -0.983) 4.384 15.776 ( -0.110 -0.965 0.823) 1.273 15.776 ( 0.110 -0.965 0.823) 1.273 15.784 ( -0.529 -0.938 0.385) 1.143 15.784 ( 0.529 -0.938 0.385) 1.143 15.985 ( -0.758 1.781 1.143) 2.248 15.985 ( 0.758 1.781 1.143) 2.248 16.045 ( -2.088 -0.773 1.435) 2.649 16.045 ( 2.088 -0.773 1.435) 2.649 16.097 ( -3.437 0.833 0.114) 3.538 16.097 ( 3.437 0.833 0.114) 3.538 16.158 ( -0.227 -1.195 -1.300) 1.780 16.158 ( 0.227 -1.195 -1.300) 1.780 26.222 ( -0.340 0.016 0.267) 0.432 26.222 ( 0.340 0.016 0.267) 0.432 26.226 ( -0.332 -0.158 0.202) 0.420 26.226 ( 0.332 -0.158 0.202) 0.420 28.701 ( -2.408 0.199 0.798) 2.545 28.701 ( 2.408 0.199 0.798) 2.545 28.719 ( -2.608 -0.413 -0.033) 2.641 28.719 ( 2.608 -0.413 -0.033) 2.641 28.989 ( -2.373 -1.075 0.498) 2.652 28.989 ( 2.373 -1.075 0.498) 2.652 29.107 ( -3.104 -5.976 0.530) 6.755 29.107 ( 3.104 -5.976 0.530) 6.755 29.804 ( -2.728 9.245 -2.987) 10.091 29.804 ( 2.728 9.245 -2.987) 10.091 30.041 ( -2.804 -2.439 -3.129) 4.858 30.041 ( 2.804 -2.439 -3.129) 4.858 ======================= Grid point 120 (46/60) ======================= q-point: ( 0.00 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( 0.000 -2.658 4.057) 4.850 1.270 ( 0.000 2.658 4.057) 4.850 1.397 ( 0.000 -3.263 4.388) 5.468 1.397 ( 0.000 3.263 4.388) 5.468 1.493 ( 0.000 -0.429 -0.034) 0.431 1.493 ( 0.000 0.429 -0.034) 0.431 1.730 ( 0.000 -4.145 -1.285) 4.340 1.730 ( 0.000 4.145 -1.285) 4.340 1.786 ( 0.000 -3.245 2.305) 3.980 1.786 ( 0.000 3.245 2.305) 3.980 1.885 ( 0.000 -1.323 2.436) 2.772 1.885 ( 0.000 1.323 2.436) 2.772 1.907 ( 0.000 -0.424 -2.785) 2.817 1.907 ( 0.000 0.424 -2.785) 2.817 2.057 ( 0.000 -1.833 -2.325) 2.961 2.057 ( 0.000 1.833 -2.325) 2.961 2.115 ( 0.000 -3.583 -6.954) 7.823 2.115 ( 0.000 3.583 -6.954) 7.823 2.313 ( 0.000 -1.355 -7.126) 7.253 2.313 ( 0.000 1.355 -7.126) 7.253 2.375 ( 0.000 -0.595 1.884) 1.976 2.375 ( 0.000 0.595 1.884) 1.976 2.569 ( 0.000 -0.166 -2.717) 2.722 2.569 ( 0.000 0.166 -2.717) 2.722 2.730 ( 0.000 -0.832 6.025) 6.082 2.730 ( 0.000 0.832 6.025) 6.082 2.874 ( 0.000 -5.539 6.171) 8.292 2.874 ( 0.000 5.539 6.171) 8.292 3.011 ( 0.000 -0.185 -2.332) 2.339 3.011 ( 0.000 0.185 -2.332) 2.339 3.061 ( 0.000 -1.737 1.901) 2.575 3.061 ( 0.000 1.737 1.901) 2.576 3.233 ( 0.000 -1.707 4.568) 4.876 3.233 ( 0.000 1.707 4.568) 4.876 3.308 ( 0.000 -3.795 4.698) 6.039 3.308 ( 0.000 3.795 4.698) 6.039 3.439 ( 0.000 -2.179 -1.635) 2.724 3.439 ( 0.000 2.179 -1.635) 2.724 3.635 ( 0.000 -2.059 -3.839) 4.356 3.635 ( 0.000 2.059 -3.839) 4.356 3.833 ( 0.000 -0.781 2.107) 2.247 3.833 ( 0.000 0.781 2.107) 2.247 4.075 ( 0.000 -1.720 -0.333) 1.752 4.075 ( 0.000 1.720 -0.333) 1.752 4.224 ( 0.000 -0.919 0.022) 0.919 4.224 ( 0.000 0.919 0.022) 0.919 4.366 ( 0.000 -1.366 -2.085) 2.493 4.366 ( 0.000 1.366 -2.085) 2.493 4.411 ( 0.000 -0.302 -0.079) 0.312 4.411 ( 0.000 0.302 -0.079) 0.312 4.643 ( 0.000 -2.813 1.845) 3.364 4.643 ( 0.000 2.813 1.845) 3.364 4.721 ( 0.000 -1.508 1.637) 2.226 4.721 ( 0.000 1.508 1.637) 2.226 4.841 ( 0.000 -2.323 1.189) 2.610 4.841 ( 0.000 2.323 1.189) 2.610 4.978 ( 0.000 -0.439 -4.293) 4.315 4.978 ( 0.000 0.439 -4.293) 4.315 5.363 ( 0.000 -7.032 -8.537) 11.060 5.363 ( 0.000 7.032 -8.537) 11.060 11.365 ( 0.000 -0.288 -1.491) 1.518 11.365 ( 0.000 0.288 -1.491) 1.518 11.526 ( 0.000 -0.474 -0.032) 0.475 11.526 ( 0.000 0.474 -0.032) 0.475 11.535 ( 0.000 -2.694 -1.235) 2.964 11.535 ( 0.000 2.694 -1.235) 2.964 11.808 ( 0.000 -0.154 -1.300) 1.309 11.808 ( 0.000 0.154 -1.300) 1.309 15.782 ( 0.000 -0.376 0.184) 0.419 15.782 ( 0.000 0.376 0.184) 0.419 15.797 ( 0.000 -0.296 0.962) 1.007 15.797 ( 0.000 0.296 0.962) 1.007 15.919 ( 0.000 -1.534 1.668) 2.267 15.919 ( 0.000 1.534 1.668) 2.267 16.036 ( 0.000 -2.212 1.356) 2.594 16.036 ( 0.000 2.212 1.356) 2.594 16.096 ( 0.000 -3.609 -1.723) 3.999 16.096 ( 0.000 3.609 -1.723) 3.999 16.205 ( 0.000 -0.531 -0.581) 0.787 16.205 ( 0.000 0.531 -0.581) 0.787 26.216 ( 0.000 -0.068 0.189) 0.201 26.216 ( 0.000 0.068 0.189) 0.201 26.238 ( 0.000 -0.045 0.324) 0.327 26.238 ( 0.000 0.045 0.324) 0.327 28.576 ( 0.000 -0.269 1.783) 1.803 28.576 ( 0.000 0.269 1.783) 1.803 28.841 ( 0.000 -0.463 1.297) 1.377 28.841 ( 0.000 0.463 1.297) 1.377 28.915 ( 0.000 -1.880 -0.117) 1.883 28.915 ( 0.000 1.880 -0.117) 1.883 29.150 ( 0.000 -1.208 2.417) 2.702 29.150 ( 0.000 1.208 2.417) 2.702 29.618 ( 0.000 -0.519 -8.247) 8.263 29.618 ( 0.000 0.519 -8.247) 8.263 30.248 ( 0.000 -2.015 -1.297) 2.396 30.248 ( 0.000 2.015 -1.297) 2.396 ======================= Grid point 122 (47/60) ======================= q-point: ( 0.25 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( 3.873 -0.499 5.340) 6.615 1.312 ( 3.873 0.499 5.340) 6.615 1.448 ( 3.756 -4.150 3.358) 6.527 1.448 ( 3.756 4.150 3.358) 6.527 1.541 ( 2.080 -4.003 1.677) 4.813 1.541 ( 2.080 4.003 1.677) 4.813 1.655 ( -3.833 -2.825 4.186) 6.340 1.655 ( -3.833 2.825 4.186) 6.340 1.763 ( -4.639 -1.014 -1.111) 4.877 1.763 ( -4.639 1.014 -1.111) 4.877 1.807 ( -0.334 -2.691 -1.086) 2.921 1.807 ( -0.334 2.691 -1.086) 2.921 1.957 ( 1.554 -1.142 -4.768) 5.143 1.957 ( 1.554 1.142 -4.768) 5.143 2.030 ( -3.200 -1.778 -9.100) 9.809 2.030 ( -3.200 1.778 -9.100) 9.809 2.190 ( 5.707 -2.283 -2.092) 6.493 2.190 ( 5.707 2.283 -2.092) 6.493 2.327 ( -1.127 -1.375 -3.427) 3.861 2.327 ( -1.127 1.375 -3.427) 3.861 2.400 ( 3.132 -1.100 0.497) 3.357 2.400 ( 3.132 1.100 0.497) 3.357 2.537 ( -2.147 -1.409 -3.617) 4.436 2.537 ( -2.147 1.409 -3.617) 4.436 2.728 ( 0.779 -1.891 4.773) 5.193 2.728 ( 0.779 1.891 4.773) 5.193 2.858 ( -1.623 -3.963 5.339) 6.844 2.858 ( -1.623 3.963 5.339) 6.844 3.002 ( -0.557 -1.347 -1.817) 2.330 3.002 ( -0.557 1.347 -1.817) 2.330 3.052 ( -1.365 -2.510 0.017) 2.857 3.052 ( -1.365 2.510 0.017) 2.857 3.264 ( 2.282 -1.018 3.950) 4.674 3.264 ( 2.282 1.018 3.950) 4.674 3.330 ( 1.735 -3.591 3.955) 5.616 3.330 ( 1.735 3.591 3.955) 5.616 3.391 ( -2.185 -1.470 2.850) 3.880 3.391 ( -2.185 1.470 2.850) 3.880 3.585 ( -4.687 -2.942 2.291) 5.989 3.585 ( -4.687 2.942 2.291) 5.989 3.874 ( 3.328 -2.190 -0.073) 3.985 3.874 ( 3.328 2.190 -0.073) 3.985 4.040 ( -3.041 -2.529 -1.224) 4.140 4.040 ( -3.041 2.529 -1.224) 4.140 4.296 ( 5.622 -0.839 0.149) 5.686 4.296 ( 5.622 0.839 0.149) 5.686 4.382 ( 1.155 -0.894 -0.691) 1.616 4.382 ( 1.155 0.894 -0.691) 1.616 4.455 ( 3.664 -0.853 -0.827) 3.852 4.455 ( 3.664 0.853 -0.827) 3.852 4.627 ( -1.813 -2.451 1.540) 3.415 4.627 ( -1.813 2.451 1.540) 3.415 4.751 ( 2.453 -2.120 1.669) 3.646 4.751 ( 2.453 2.120 1.669) 3.646 4.846 ( -0.022 -2.052 1.381) 2.474 4.846 ( -0.022 2.052 1.381) 2.474 4.975 ( 1.138 -2.173 -6.300) 6.761 4.975 ( 1.138 2.173 -6.300) 6.761 5.279 ( -7.377 -6.369 -8.518) 12.944 5.279 ( -7.377 6.369 -8.518) 12.944 11.388 ( 2.058 -1.059 -1.451) 2.732 11.388 ( 2.058 1.059 -1.451) 2.732 11.507 ( -2.290 -2.273 -1.033) 3.388 11.507 ( -2.290 2.273 -1.033) 3.388 11.572 ( 3.791 -0.151 -0.606) 3.842 11.572 ( 3.791 0.151 -0.606) 3.842 11.769 ( -3.467 -0.170 -1.252) 3.690 11.769 ( -3.467 0.170 -1.252) 3.690 15.775 ( -0.481 -0.205 0.369) 0.640 15.775 ( -0.481 0.205 0.369) 0.640 15.782 ( -0.864 -0.342 0.624) 1.119 15.782 ( -0.864 0.342 0.624) 1.119 15.963 ( 3.212 -1.135 2.009) 3.955 15.963 ( 3.212 1.135 2.009) 3.955 16.035 ( -0.137 -2.179 1.390) 2.588 16.035 ( -0.137 2.179 1.390) 2.588 16.098 ( 0.335 -3.287 -1.675) 3.704 16.098 ( 0.335 3.287 -1.675) 3.704 16.180 ( -2.200 -0.274 -0.451) 2.263 16.180 ( -2.200 0.274 -0.451) 2.263 26.218 ( 0.159 -0.079 0.194) 0.263 26.218 ( 0.159 0.079 0.194) 0.263 26.233 ( -0.416 -0.068 0.299) 0.517 26.233 ( -0.416 0.068 0.299) 0.517 28.618 ( 3.564 -0.149 1.337) 3.810 28.618 ( 3.564 0.149 1.337) 3.810 28.797 ( -3.398 -0.481 0.829) 3.530 28.797 ( -3.398 0.481 0.829) 3.530 28.947 ( 2.388 -1.947 0.194) 3.087 28.947 ( 2.388 1.947 0.194) 3.087 29.095 ( -4.050 -2.549 1.061) 4.902 29.095 ( -4.050 2.549 1.061) 4.902 29.730 ( 9.239 -1.422 -5.960) 11.087 29.730 ( 9.239 1.422 -5.960) 11.087 30.165 ( -7.428 -1.780 -1.741) 7.835 30.165 ( -7.428 1.780 -1.741) 7.835 ======================= Grid point 124 (48/60) ======================= q-point: (-0.50 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( -5.517 -4.154 6.749) 9.656 1.423 ( 1.105 -3.154 6.749) 7.531 1.423 ( -1.105 3.154 6.749) 7.531 1.423 ( 5.517 4.154 6.749) 9.656 1.591 ( -3.953 -3.276 1.285) 5.292 1.591 ( -2.137 -2.823 1.285) 3.766 1.591 ( 2.137 2.823 1.285) 3.766 1.591 ( 3.953 3.276 1.285) 5.292 1.761 ( -3.861 -3.848 -0.710) 5.497 1.761 ( 3.440 -3.747 -0.710) 5.136 1.761 ( -3.440 3.747 -0.710) 5.136 1.761 ( 3.861 3.848 -0.710) 5.497 1.983 ( -0.576 -4.114 -8.766) 9.700 1.983 ( 0.256 -4.106 -8.766) 9.683 1.983 ( -0.256 4.106 -8.766) 9.683 1.983 ( 0.576 4.114 -8.766) 9.700 2.275 ( -2.988 -3.114 -2.374) 4.926 2.275 ( 2.583 -3.022 -2.374) 4.631 2.275 ( -2.583 3.022 -2.374) 4.631 2.275 ( 2.988 3.114 -2.374) 4.926 2.483 ( -3.723 -0.215 -2.553) 4.520 2.483 ( -3.721 0.206 -2.553) 4.517 2.483 ( 3.721 -0.206 -2.553) 4.517 2.483 ( 3.723 0.215 -2.553) 4.520 2.789 ( -3.711 -1.952 4.293) 6.001 2.789 ( -2.075 -1.201 4.293) 4.917 2.789 ( 2.075 1.201 4.293) 4.917 2.789 ( 3.711 1.952 4.293) 6.001 3.011 ( -1.058 -3.481 -1.347) 3.880 3.011 ( 0.533 -3.451 -1.347) 3.743 3.011 ( -0.533 3.451 -1.347) 3.743 3.011 ( 1.058 3.481 -1.347) 3.880 3.310 ( -2.014 -1.039 2.547) 3.409 3.310 ( -0.133 -0.264 2.547) 2.564 3.310 ( 0.133 0.264 2.547) 2.564 3.310 ( 2.014 1.039 2.547) 3.409 3.459 ( -5.450 -5.187 7.461) 10.596 3.459 ( 1.062 -4.445 7.461) 8.750 3.459 ( -1.062 4.445 7.461) 8.750 3.459 ( 5.450 5.187 7.461) 10.596 3.958 ( -4.046 -3.187 -1.391) 5.335 3.958 ( 1.746 -2.613 -1.391) 3.437 3.958 ( -1.746 2.613 -1.391) 3.437 3.958 ( 4.046 3.187 -1.391) 5.335 4.385 ( -1.602 -0.541 0.585) 1.789 4.385 ( -1.189 0.070 0.585) 1.327 4.385 ( 1.189 -0.070 0.585) 1.327 4.385 ( 1.602 0.541 0.585) 1.789 4.554 ( -4.496 -1.581 0.047) 4.766 4.554 ( -3.299 -0.407 0.047) 3.324 4.554 ( 3.299 0.407 0.047) 3.324 4.554 ( 4.496 1.581 0.047) 4.766 4.808 ( -2.218 -1.798 1.289) 3.133 4.808 ( -0.815 -1.473 1.289) 2.120 4.808 ( 0.815 1.473 1.289) 2.120 4.808 ( 2.218 1.798 1.289) 3.133 5.091 ( -7.603 -7.001 -8.204) 13.195 5.091 ( 0.854 -5.894 -8.204) 10.138 5.091 ( -0.854 5.894 -8.204) 10.138 5.091 ( 7.603 7.001 -8.204) 13.195 11.446 ( -3.070 -1.872 -1.295) 3.822 11.446 ( 2.885 -1.797 -1.295) 3.637 11.446 ( -2.885 1.797 -1.295) 3.637 11.446 ( 3.070 1.872 -1.295) 3.822 11.673 ( -5.116 -0.215 -1.017) 5.220 11.673 ( -5.113 0.202 -1.017) 5.218 11.673 ( 5.113 -0.202 -1.017) 5.218 11.673 ( 5.116 0.215 -1.017) 5.220 15.770 ( -0.142 -0.364 0.455) 0.600 15.770 ( 0.132 -0.363 0.455) 0.597 15.770 ( -0.132 0.363 0.455) 0.597 15.770 ( 0.142 0.364 0.455) 0.600 16.020 ( -1.548 -1.682 1.831) 2.929 16.020 ( 1.139 -1.598 1.831) 2.684 16.020 ( -1.139 1.598 1.831) 2.684 16.020 ( 1.548 1.682 1.831) 2.929 16.125 ( -2.231 -1.781 -0.958) 3.011 16.125 ( 0.766 -1.440 -0.958) 1.892 16.125 ( -0.766 1.440 -0.958) 1.892 16.125 ( 2.231 1.781 -0.958) 3.011 26.223 ( -0.386 -0.097 0.235) 0.462 26.223 ( -0.347 0.048 0.235) 0.422 26.223 ( 0.347 -0.048 0.235) 0.422 26.223 ( 0.386 0.097 0.235) 0.462 28.709 ( -4.465 -0.487 0.742) 4.552 28.709 ( -4.380 0.220 0.742) 4.447 28.709 ( 4.380 -0.220 0.742) 4.447 28.709 ( 4.465 0.487 0.742) 4.552 29.010 ( -3.165 -3.265 0.313) 4.557 29.010 ( 1.111 -2.909 0.313) 3.130 29.010 ( -1.111 2.909 0.313) 3.130 29.010 ( 3.165 3.265 0.313) 4.557 29.958 ( -8.506 -4.919 -3.251) 10.350 29.958 ( -6.263 -3.989 -3.251) 8.106 29.958 ( 6.263 3.989 -3.251) 8.106 29.958 ( 8.506 4.919 -3.251) 10.350 ======================= Grid point 140 (49/60) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( 0.000 0.000 -3.946) 3.946 1.053 ( 0.000 0.000 3.946) 3.946 1.320 ( 0.000 0.000 -0.849) 0.849 1.320 ( 0.000 0.000 0.849) 0.849 1.401 ( 0.000 0.000 -9.779) 9.779 1.401 ( 0.000 0.000 9.779) 9.779 1.561 ( 0.000 0.000 -8.260) 8.260 1.561 ( 0.000 0.000 8.260) 8.260 1.729 ( 0.000 0.000 -6.842) 6.842 1.729 ( 0.000 0.000 6.842) 6.842 1.983 ( 0.000 0.000 -7.747) 7.747 1.983 ( 0.000 0.000 7.747) 7.747 2.004 ( 0.000 0.000 -0.986) 0.986 2.004 ( 0.000 0.000 0.986) 0.986 2.189 ( 0.000 0.000 -1.426) 1.426 2.189 ( 0.000 0.000 1.426) 1.426 2.336 ( 0.000 0.000 -2.325) 2.325 2.336 ( 0.000 0.000 2.325) 2.325 2.414 ( 0.000 0.000 -5.961) 5.961 2.414 ( 0.000 0.000 5.961) 5.961 2.443 ( 0.000 0.000 -5.283) 5.283 2.443 ( 0.000 0.000 5.283) 5.283 2.567 ( 0.000 0.000 -4.860) 4.860 2.567 ( 0.000 0.000 4.860) 4.860 2.686 ( 0.000 0.000 -2.133) 2.133 2.686 ( 0.000 0.000 2.133) 2.133 2.731 ( 0.000 0.000 -12.367) 12.367 2.731 ( 0.000 0.000 12.367) 12.367 2.766 ( 0.000 0.000 -0.806) 0.806 2.766 ( 0.000 0.000 0.806) 0.806 2.985 ( 0.000 0.000 -0.693) 0.693 2.985 ( 0.000 0.000 0.693) 0.693 3.019 ( 0.000 0.000 -4.403) 4.403 3.019 ( 0.000 0.000 4.403) 4.403 3.090 ( 0.000 0.000 -1.912) 1.912 3.090 ( 0.000 0.000 1.912) 1.912 3.436 ( 0.000 0.000 -5.161) 5.161 3.436 ( 0.000 0.000 5.161) 5.161 3.517 ( 0.000 0.000 -0.528) 0.528 3.517 ( 0.000 0.000 0.528) 0.528 3.798 ( 0.000 0.000 -1.154) 1.154 3.798 ( 0.000 0.000 1.154) 1.154 4.188 ( 0.000 0.000 -2.607) 2.607 4.188 ( 0.000 0.000 2.607) 2.607 4.298 ( 0.000 0.000 -1.980) 1.980 4.298 ( 0.000 0.000 1.980) 1.980 4.320 ( 0.000 0.000 -0.935) 0.935 4.320 ( 0.000 0.000 0.935) 0.935 4.458 ( 0.000 0.000 -1.500) 1.500 4.458 ( 0.000 0.000 1.500) 1.500 4.683 ( 0.000 0.000 -1.517) 1.517 4.683 ( 0.000 0.000 1.517) 1.517 4.721 ( 0.000 0.000 -1.017) 1.017 4.721 ( 0.000 0.000 1.017) 1.017 4.821 ( 0.000 0.000 -0.821) 0.821 4.821 ( 0.000 0.000 0.821) 0.821 5.068 ( 0.000 0.000 -9.431) 9.431 5.068 ( 0.000 0.000 9.431) 9.431 5.268 ( 0.000 0.000 -9.670) 9.670 5.268 ( 0.000 0.000 9.670) 9.670 11.368 ( 0.000 0.000 -0.705) 0.705 11.368 ( 0.000 0.000 0.705) 0.705 11.525 ( 0.000 0.000 -0.891) 0.891 11.525 ( 0.000 0.000 0.891) 0.891 11.583 ( 0.000 0.000 -4.068) 4.068 11.583 ( 0.000 0.000 4.068) 4.068 11.773 ( 0.000 0.000 -0.450) 0.450 11.773 ( 0.000 0.000 0.450) 0.450 15.794 ( 0.000 0.000 -1.089) 1.089 15.794 ( 0.000 0.000 1.089) 1.089 15.861 ( 0.000 0.000 -1.095) 1.095 15.861 ( 0.000 0.000 1.095) 1.095 15.911 ( 0.000 0.000 -0.715) 0.715 15.911 ( 0.000 0.000 0.715) 0.715 16.054 ( 0.000 0.000 -0.717) 0.717 16.054 ( 0.000 0.000 0.717) 0.717 16.084 ( 0.000 0.000 -2.992) 2.992 16.084 ( 0.000 0.000 2.992) 2.992 16.176 ( 0.000 0.000 -1.343) 1.343 16.176 ( 0.000 0.000 1.343) 1.343 26.219 ( 0.000 0.000 -0.149) 0.149 26.219 ( 0.000 0.000 0.149) 0.149 26.245 ( 0.000 0.000 -0.123) 0.123 26.245 ( 0.000 0.000 0.123) 0.123 28.660 ( 0.000 0.000 -4.333) 4.333 28.660 ( 0.000 0.000 4.333) 4.333 28.748 ( 0.000 0.000 -4.398) 4.398 28.748 ( 0.000 0.000 4.398) 4.398 29.040 ( 0.000 0.000 -1.707) 1.707 29.040 ( 0.000 0.000 1.707) 1.707 29.357 ( 0.000 0.000 -4.508) 4.508 29.357 ( 0.000 0.000 4.508) 4.508 29.473 ( 0.000 0.000 -5.019) 5.019 29.473 ( 0.000 0.000 5.019) 5.019 30.054 ( 0.000 0.000 -3.676) 3.676 30.054 ( 0.000 0.000 3.676) 3.676 ======================= Grid point 142 (50/60) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( 1.109 0.000 -3.389) 3.566 1.068 ( 1.109 0.000 3.389) 3.566 1.293 ( -1.829 0.000 -2.493) 3.092 1.293 ( -1.829 0.000 2.493) 3.092 1.437 ( 3.529 0.000 -11.291) 11.830 1.437 ( 3.529 0.000 11.291) 11.830 1.628 ( 5.601 0.000 -9.569) 11.087 1.628 ( 5.601 0.000 9.569) 11.087 1.692 ( -4.507 0.000 -5.132) 6.830 1.692 ( -4.507 0.000 5.132) 6.830 1.932 ( -6.211 0.000 -5.290) 8.158 1.932 ( -6.211 0.000 5.290) 8.158 1.949 ( -0.589 0.000 -4.140) 4.182 1.949 ( -0.589 0.000 4.140) 4.182 2.107 ( -4.952 0.000 -0.459) 4.973 2.107 ( -4.952 0.000 0.459) 4.973 2.339 ( 0.898 0.000 -2.950) 3.084 2.339 ( 0.898 0.000 2.950) 3.084 2.437 ( -0.750 0.000 -1.906) 2.048 2.437 ( -0.750 0.000 1.906) 2.048 2.455 ( -0.950 0.000 -0.843) 1.270 2.455 ( -0.950 0.000 0.843) 1.270 2.626 ( 7.365 0.000 -6.915) 10.102 2.626 ( 7.365 0.000 6.915) 10.102 2.690 ( -2.482 0.000 -1.500) 2.900 2.690 ( -2.482 0.000 1.500) 2.900 2.758 ( 2.026 0.000 -3.210) 3.795 2.758 ( 2.026 0.000 3.210) 3.795 2.855 ( 9.001 0.000 -9.855) 13.347 2.855 ( 9.001 0.000 9.855) 13.347 2.998 ( -1.624 0.000 -6.062) 6.275 2.998 ( -1.624 0.000 6.062) 6.275 3.012 ( 1.984 0.000 -1.161) 2.299 3.012 ( 1.984 0.000 1.161) 2.299 3.095 ( 0.173 0.000 -1.442) 1.452 3.095 ( 0.173 0.000 1.442) 1.452 3.370 ( -4.696 0.000 -4.846) 6.748 3.370 ( -4.696 0.000 4.846) 6.748 3.485 ( -3.583 0.000 -2.508) 4.373 3.485 ( -3.583 0.000 2.508) 4.373 3.821 ( 2.128 0.000 -0.948) 2.330 3.821 ( 2.128 0.000 0.948) 2.330 4.176 ( -1.505 0.000 -2.300) 2.748 4.176 ( -1.505 0.000 2.300) 2.748 4.294 ( -0.348 0.000 -1.098) 1.151 4.294 ( -0.348 0.000 1.098) 1.151 4.325 ( 0.451 0.000 -1.023) 1.118 4.325 ( 0.451 0.000 1.023) 1.118 4.507 ( 4.840 0.000 -1.445) 5.051 4.507 ( 4.840 0.000 1.445) 5.051 4.706 ( 0.965 0.000 -2.717) 2.883 4.706 ( 0.965 0.000 2.717) 2.883 4.708 ( -0.877 0.000 -0.878) 1.241 4.708 ( -0.877 0.000 0.878) 1.241 4.826 ( 0.330 0.000 -0.929) 0.986 4.826 ( 0.330 0.000 0.929) 0.986 5.017 ( -3.916 0.000 -7.873) 8.794 5.017 ( -3.916 0.000 7.873) 8.794 5.267 ( -0.113 0.000 -7.269) 7.270 5.267 ( -0.113 0.000 7.269) 7.270 11.393 ( 2.361 0.000 -2.164) 3.203 11.393 ( 2.361 0.000 2.164) 3.203 11.544 ( -3.271 0.000 -4.102) 5.247 11.544 ( -3.271 0.000 4.102) 5.247 11.561 ( 3.240 0.000 -0.761) 3.329 11.561 ( 3.240 0.000 0.761) 3.329 11.737 ( -3.222 0.000 -0.437) 3.252 11.737 ( -3.222 0.000 0.437) 3.252 15.797 ( 0.269 0.000 -0.883) 0.923 15.797 ( 0.269 0.000 0.883) 0.923 15.869 ( 0.605 0.000 -0.902) 1.086 15.869 ( 0.605 0.000 0.902) 1.086 15.917 ( 0.415 0.000 -0.406) 0.581 15.917 ( 0.415 0.000 0.406) 0.581 16.071 ( 1.492 0.000 -0.718) 1.656 16.071 ( 1.492 0.000 0.718) 1.656 16.077 ( -0.555 0.000 -2.230) 2.298 16.077 ( -0.555 0.000 2.230) 2.298 16.164 ( -1.094 0.000 -1.511) 1.865 16.164 ( -1.094 0.000 1.511) 1.865 26.221 ( 0.203 0.000 -0.165) 0.261 26.221 ( 0.203 0.000 0.165) 0.261 26.240 ( -0.422 0.000 -0.145) 0.446 26.240 ( -0.422 0.000 0.145) 0.446 28.673 ( 1.008 0.000 -3.679) 3.814 28.673 ( 1.008 0.000 3.679) 3.814 28.749 ( 0.025 0.000 -3.705) 3.705 28.749 ( 0.025 0.000 3.705) 3.705 29.045 ( 0.384 0.000 -1.281) 1.338 29.045 ( 0.384 0.000 1.281) 1.338 29.347 ( -0.757 0.000 -3.232) 3.319 29.347 ( -0.757 0.000 3.232) 3.319 29.467 ( -0.407 0.000 -3.613) 3.636 29.467 ( -0.407 0.000 3.613) 3.636 30.051 ( -0.283 0.000 -2.575) 2.591 30.051 ( -0.283 0.000 2.575) 2.591 ======================= Grid point 144 (51/60) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( -0.000 0.000 0.000) 0.000 1.084 ( 0.000 0.000 0.000) 0.000 1.269 ( 0.000 0.000 0.000) 0.000 1.269 ( 0.000 0.000 0.000) 0.000 1.548 ( -0.000 0.000 -0.000) 0.000 1.548 ( -0.000 0.000 0.000) 0.000 1.558 ( -0.000 0.000 -0.000) 0.000 1.558 ( 0.000 0.000 0.000) 0.000 1.764 ( -0.000 0.000 -0.000) 0.000 1.764 ( 0.000 0.000 -0.000) 0.000 1.786 ( -0.000 0.000 0.000) 0.000 1.786 ( 0.000 0.000 0.000) 0.000 1.977 ( 0.000 0.000 -0.000) 0.000 1.977 ( 0.000 0.000 0.000) 0.000 2.029 ( 0.000 0.000 0.000) 0.000 2.029 ( -0.000 0.000 0.000) 0.000 2.364 ( 0.000 0.000 0.000) 0.000 2.364 ( -0.000 0.000 0.000) 0.000 2.418 ( 0.000 0.000 0.000) 0.000 2.418 ( 0.000 0.000 0.000) 0.000 2.423 ( -0.000 0.000 0.000) 0.000 2.423 ( 0.000 0.000 0.000) 0.000 2.648 ( 0.000 0.000 0.000) 0.000 2.648 ( 0.000 0.000 0.000) 0.000 2.791 ( -0.000 0.000 0.000) 0.000 2.791 ( 0.000 0.000 0.000) 0.000 2.793 ( 0.000 0.000 0.000) 0.000 2.793 ( 0.000 0.000 0.000) 0.000 2.852 ( -0.000 0.000 0.000) 0.000 2.852 ( -0.000 0.000 0.000) 0.000 3.043 ( 0.000 0.000 0.000) 0.000 3.043 ( 0.000 0.000 0.000) 0.000 3.073 ( 0.000 0.000 -0.000) 0.000 3.073 ( 0.000 0.000 0.000) 0.000 3.091 ( -0.000 0.000 0.000) 0.000 3.091 ( 0.000 0.000 0.000) 0.000 3.279 ( -0.000 0.000 0.000) 0.000 3.279 ( -0.000 0.000 0.000) 0.000 3.428 ( -0.000 0.000 0.000) 0.000 3.428 ( -0.000 0.000 0.000) 0.000 3.855 ( -0.000 0.000 0.000) 0.000 3.855 ( 0.000 0.000 0.000) 0.000 4.147 ( 0.000 0.000 0.000) 0.000 4.147 ( 0.000 0.000 0.000) 0.000 4.289 ( -0.000 0.000 0.000) 0.000 4.289 ( 0.000 0.000 -0.000) 0.000 4.332 ( -0.000 0.000 0.000) 0.000 4.332 ( 0.000 0.000 0.000) 0.000 4.614 ( -0.000 0.000 0.000) 0.000 4.614 ( -0.000 0.000 0.000) 0.000 4.682 ( 0.000 0.000 -0.000) 0.000 4.682 ( 0.000 0.000 0.000) 0.000 4.697 ( -0.000 0.000 0.000) 0.000 4.697 ( 0.000 0.000 0.000) 0.000 4.830 ( 0.000 0.000 0.000) 0.000 4.830 ( 0.000 0.000 0.000) 0.000 4.963 ( -0.000 0.000 0.000) 0.000 4.963 ( 0.000 0.000 0.000) 0.000 5.265 ( 0.000 0.000 0.000) 0.000 5.265 ( 0.000 0.000 0.000) 0.000 11.462 ( -0.000 0.000 -0.000) 0.000 11.462 ( -0.000 0.000 0.000) 0.000 11.463 ( -0.000 0.000 -0.000) 0.000 11.463 ( 0.000 0.000 0.000) 0.000 11.645 ( 0.000 0.000 0.000) 0.000 11.645 ( 0.000 0.000 0.000) 0.000 11.653 ( -0.000 0.000 0.000) 0.000 11.653 ( -0.000 0.000 0.000) 0.000 15.801 ( -0.000 0.000 0.000) 0.000 15.801 ( 0.000 0.000 0.000) 0.000 15.877 ( -0.000 0.000 0.000) 0.000 15.877 ( 0.000 0.000 0.000) 0.000 15.922 ( 0.000 0.000 0.000) 0.000 15.922 ( -0.000 0.000 0.000) 0.000 16.069 ( -0.000 0.000 0.000) 0.000 16.069 ( 0.000 0.000 0.000) 0.000 16.099 ( -0.000 0.000 0.000) 0.000 16.099 ( 0.000 0.000 0.000) 0.000 16.142 ( -0.000 0.000 0.000) 0.000 16.142 ( 0.000 0.000 0.000) 0.000 26.226 ( 0.000 0.000 0.000) 0.000 26.226 ( 0.000 0.000 0.000) 0.000 26.232 ( -0.000 0.000 0.000) 0.000 26.232 ( -0.000 0.000 0.000) 0.000 28.688 ( -0.000 0.000 0.000) 0.000 28.688 ( 0.000 0.000 0.000) 0.000 28.749 ( -0.000 0.000 0.000) 0.000 28.749 ( 0.000 0.000 0.000) 0.000 29.051 ( 0.000 0.000 0.000) 0.000 29.051 ( -0.000 0.000 0.000) 0.000 29.337 ( 0.000 0.000 0.000) 0.000 29.337 ( 0.000 0.000 0.000) 0.000 29.462 ( -0.000 0.000 0.000) 0.000 29.462 ( 0.000 0.000 0.000) 0.000 30.047 ( -0.000 0.000 0.000) 0.000 30.047 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 150 (52/60) ======================= q-point: ( 0.00 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( 0.000 7.821 -3.806) 8.698 1.143 ( 0.000 7.821 3.806) 8.698 1.362 ( 0.000 3.440 -0.476) 3.473 1.362 ( 0.000 3.440 0.476) 3.473 1.423 ( 0.000 2.594 -4.574) 5.258 1.423 ( 0.000 2.594 4.574) 5.258 1.564 ( 0.000 0.252 -5.395) 5.401 1.564 ( 0.000 0.252 5.395) 5.401 1.720 ( 0.000 -0.542 -6.281) 6.305 1.720 ( 0.000 -0.542 6.281) 6.305 1.954 ( 0.000 -2.288 -2.308) 3.250 1.954 ( 0.000 -2.288 2.308) 3.250 2.006 ( 0.000 -0.321 -1.632) 1.663 2.006 ( 0.000 -0.321 1.632) 1.663 2.205 ( 0.000 -0.096 -0.182) 0.206 2.205 ( 0.000 -0.096 0.182) 0.206 2.271 ( 0.000 -4.897 -6.032) 7.769 2.271 ( 0.000 -4.897 6.032) 7.769 2.342 ( 0.000 -7.542 -0.840) 7.589 2.342 ( 0.000 -7.542 0.840) 7.589 2.408 ( 0.000 -0.507 -4.378) 4.407 2.408 ( 0.000 -0.507 4.378) 4.407 2.551 ( 0.000 -1.855 -3.904) 4.322 2.551 ( 0.000 -1.855 3.904) 4.322 2.720 ( 0.000 2.036 -1.912) 2.793 2.720 ( 0.000 2.036 1.912) 2.793 2.782 ( 0.000 5.963 -3.898) 7.124 2.782 ( 0.000 5.963 3.898) 7.124 2.895 ( 0.000 5.661 -2.052) 6.021 2.895 ( 0.000 5.661 2.052) 6.021 2.908 ( 0.000 2.740 -4.076) 4.911 2.908 ( 0.000 2.740 4.076) 4.911 3.085 ( 0.000 3.421 -3.165) 4.660 3.085 ( 0.000 3.421 3.165) 4.660 3.201 ( 0.000 7.859 -1.527) 8.006 3.201 ( 0.000 7.859 1.527) 8.006 3.427 ( 0.000 -0.596 -6.047) 6.077 3.427 ( 0.000 -0.596 6.047) 6.077 3.532 ( 0.000 1.183 -0.511) 1.289 3.532 ( 0.000 1.183 0.511) 1.289 3.803 ( 0.000 0.617 -0.856) 1.056 3.803 ( 0.000 0.617 0.856) 1.056 4.170 ( 0.000 -1.665 -2.059) 2.648 4.170 ( 0.000 -1.665 2.059) 2.648 4.282 ( 0.000 -2.597 -0.785) 2.713 4.282 ( 0.000 -2.597 0.785) 2.713 4.320 ( 0.000 1.251 -1.433) 1.902 4.320 ( 0.000 1.251 1.433) 1.902 4.456 ( 0.000 -0.728 -0.733) 1.033 4.456 ( 0.000 -0.728 0.733) 1.033 4.658 ( 0.000 -0.920 -2.429) 2.597 4.658 ( 0.000 -0.920 2.429) 2.597 4.757 ( 0.000 1.868 -1.157) 2.197 4.757 ( 0.000 1.868 1.157) 2.197 4.828 ( 0.000 0.523 -0.703) 0.876 4.828 ( 0.000 0.523 0.703) 0.876 5.032 ( 0.000 -3.354 -8.122) 8.787 5.032 ( 0.000 -3.354 8.122) 8.787 5.263 ( 0.000 -0.315 -9.636) 9.641 5.263 ( 0.000 -0.315 9.636) 9.641 11.363 ( 0.000 -0.424 -0.587) 0.724 11.363 ( 0.000 -0.424 0.587) 0.724 11.525 ( 0.000 0.024 -0.768) 0.768 11.525 ( 0.000 0.024 0.768) 0.768 11.567 ( 0.000 -1.429 -3.772) 4.034 11.567 ( 0.000 -1.429 3.772) 4.034 11.779 ( 0.000 0.499 -0.358) 0.614 11.779 ( 0.000 0.499 0.358) 0.614 15.795 ( 0.000 -0.154 -0.794) 0.809 15.795 ( 0.000 -0.154 0.794) 0.809 15.829 ( 0.000 -1.723 -0.486) 1.790 15.829 ( 0.000 -1.723 0.486) 1.790 15.934 ( 0.000 1.487 -0.357) 1.529 15.934 ( 0.000 1.487 0.357) 1.529 16.025 ( 0.000 -1.819 -0.515) 1.891 16.025 ( 0.000 -1.819 0.515) 1.891 16.122 ( 0.000 2.341 -0.227) 2.352 16.122 ( 0.000 2.341 0.227) 2.352 16.168 ( 0.000 -0.674 -0.570) 0.883 16.168 ( 0.000 -0.674 0.570) 0.883 26.219 ( 0.000 -0.032 -0.129) 0.133 26.219 ( 0.000 -0.032 0.129) 0.133 26.244 ( 0.000 -0.106 -0.113) 0.155 26.244 ( 0.000 -0.106 0.113) 0.155 28.643 ( 0.000 -1.641 -2.374) 2.886 28.643 ( 0.000 -1.641 2.374) 2.886 28.760 ( 0.000 1.685 -2.440) 2.965 28.760 ( 0.000 1.685 2.440) 2.965 29.028 ( 0.000 -2.085 -2.424) 3.198 29.028 ( 0.000 -2.085 2.424) 3.198 29.321 ( 0.000 -3.272 -4.421) 5.500 29.321 ( 0.000 -3.272 4.421) 5.500 29.464 ( 0.000 0.071 -3.987) 3.988 29.464 ( 0.000 0.071 3.987) 3.988 30.108 ( 0.000 4.588 -3.217) 5.603 30.108 ( 0.000 4.588 3.217) 5.603 ======================= Grid point 152 (53/60) ======================= q-point: ( 0.25 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( 1.354 8.171 -3.582) 9.024 1.160 ( 1.354 8.171 3.582) 9.024 1.339 ( -1.727 4.263 -2.501) 5.236 1.339 ( -1.727 4.263 2.501) 5.236 1.462 ( 3.765 2.419 -7.329) 8.587 1.462 ( 3.765 2.419 7.329) 8.587 1.622 ( 4.838 -0.607 -7.170) 8.671 1.622 ( 4.838 -0.607 7.170) 8.671 1.708 ( -2.117 1.480 -4.696) 5.359 1.708 ( -2.117 1.480 4.696) 5.359 1.899 ( -5.214 -1.259 -4.395) 6.934 1.899 ( -5.214 -1.259 4.395) 6.934 1.956 ( -1.950 -1.307 -2.564) 3.476 1.956 ( -1.950 -1.307 2.564) 3.476 2.094 ( -6.857 -1.907 -2.555) 7.562 2.094 ( -6.857 -1.907 2.555) 7.562 2.282 ( 1.598 -5.021 -4.319) 6.814 2.282 ( 1.598 -5.021 4.319) 6.814 2.375 ( 0.705 -4.770 -4.031) 6.285 2.375 ( 0.705 -4.770 4.031) 6.285 2.443 ( 0.429 -0.214 -1.308) 1.393 2.443 ( 0.429 -0.214 1.308) 1.393 2.574 ( 0.884 -4.398 -1.563) 4.750 2.574 ( 0.884 -4.398 1.563) 4.750 2.708 ( 2.831 2.457 -5.275) 6.471 2.708 ( 2.831 2.457 5.275) 6.471 2.801 ( 0.053 2.792 -3.840) 4.748 2.801 ( 0.053 2.792 3.840) 4.748 2.897 ( 0.377 1.737 -4.752) 5.073 2.897 ( 0.377 1.737 4.752) 5.073 3.009 ( 7.189 5.717 -7.449) 11.826 3.009 ( 7.189 5.717 7.449) 11.826 3.103 ( 1.410 4.825 -2.538) 5.631 3.103 ( 1.410 4.825 2.538) 5.631 3.191 ( -1.055 8.060 -2.522) 8.511 3.191 ( -1.055 8.060 2.522) 8.511 3.381 ( -2.755 1.097 -4.378) 5.288 3.381 ( -2.755 1.097 4.378) 5.288 3.502 ( -3.441 1.856 -2.183) 4.478 3.502 ( -3.442 1.856 2.183) 4.478 3.821 ( 1.890 0.264 -1.343) 2.334 3.821 ( 1.890 0.264 1.343) 2.334 4.144 ( -2.474 -2.784 -1.567) 4.041 4.144 ( -2.474 -2.784 1.567) 4.041 4.303 ( 1.757 0.213 -0.582) 1.862 4.303 ( 1.757 0.213 0.582) 1.863 4.336 ( 0.958 1.128 -1.303) 1.972 4.336 ( 0.958 1.128 1.303) 1.972 4.495 ( 3.984 -1.165 -0.937) 4.255 4.495 ( 3.984 -1.165 0.937) 4.255 4.661 ( -0.402 -1.565 -1.707) 2.350 4.661 ( -0.402 -1.565 1.707) 2.350 4.761 ( 0.133 2.339 -1.988) 3.072 4.761 ( 0.133 2.339 1.988) 3.072 4.837 ( 0.806 0.861 -1.980) 2.305 4.837 ( 0.806 0.861 1.980) 2.305 4.983 ( -3.684 -3.055 -6.879) 8.380 4.983 ( -3.684 -3.055 6.879) 8.380 5.244 ( -1.424 -2.046 -7.188) 7.608 5.244 ( -1.424 -2.046 7.188) 7.608 11.388 ( 2.287 -0.485 -1.859) 2.987 11.388 ( 2.287 -0.485 1.859) 2.987 11.530 ( -2.850 -1.195 -3.484) 4.657 11.530 ( -2.850 -1.195 3.484) 4.657 11.564 ( 3.152 0.156 -0.432) 3.185 11.564 ( 3.152 0.156 0.432) 3.185 11.742 ( -3.258 0.462 -0.357) 3.310 11.742 ( -3.258 0.462 0.357) 3.310 15.797 ( 0.171 -0.237 -0.619) 0.684 15.797 ( 0.171 -0.237 0.619) 0.684 15.829 ( 0.046 -2.403 -0.615) 2.481 15.829 ( 0.046 -2.403 0.615) 2.481 15.945 ( 0.715 1.943 -0.541) 2.140 15.945 ( 0.715 1.943 0.541) 2.140 16.039 ( 1.239 -1.591 -0.691) 2.132 16.039 ( 1.239 -1.591 0.691) 2.132 16.118 ( -0.320 2.085 -0.361) 2.140 16.118 ( -0.320 2.085 0.361) 2.140 16.157 ( -0.994 -0.673 -1.361) 1.814 16.157 ( -0.994 -0.673 1.361) 1.814 26.221 ( 0.190 -0.047 -0.143) 0.242 26.221 ( 0.190 -0.047 0.143) 0.242 26.239 ( -0.422 -0.108 -0.130) 0.454 26.239 ( -0.422 -0.108 0.130) 0.454 28.665 ( 1.771 -1.015 -2.288) 3.066 28.665 ( 1.771 -1.015 2.288) 3.066 28.752 ( -0.861 0.818 -2.295) 2.584 28.752 ( -0.861 0.818 2.295) 2.584 29.029 ( 0.072 -2.033 -1.757) 2.688 29.029 ( 0.072 -2.033 1.757) 2.688 29.274 ( -2.755 -5.404 -3.336) 6.923 29.274 ( -2.755 -5.404 3.336) 6.923 29.531 ( 4.329 4.757 -3.124) 7.150 29.531 ( 4.329 4.757 3.124) 7.150 30.076 ( -2.517 2.307 -2.458) 4.207 30.076 ( -2.517 2.307 2.458) 4.207 ======================= Grid point 154 (54/60) ======================= q-point: (-0.50 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( 0.000 8.683 0.000) 8.683 1.180 ( -0.000 8.683 0.000) 8.683 1.314 ( 0.000 4.207 0.000) 4.207 1.314 ( 0.000 4.207 0.000) 4.207 1.567 ( 0.000 1.480 -0.000) 1.480 1.567 ( -0.000 1.480 0.000) 1.480 1.601 ( -0.000 4.015 0.000) 4.015 1.601 ( 0.000 4.015 0.000) 4.015 1.755 ( -0.000 -0.725 -0.000) 0.725 1.755 ( 0.000 -0.725 -0.000) 0.725 1.780 ( -0.000 0.050 0.000) 0.050 1.780 ( 0.000 0.050 0.000) 0.050 1.959 ( 0.000 -2.246 -0.000) 2.246 1.959 ( 0.000 -2.246 0.000) 2.246 1.992 ( 0.000 -3.861 0.000) 3.861 1.992 ( -0.000 -3.861 0.000) 3.861 2.309 ( 0.000 -4.436 0.000) 4.436 2.309 ( -0.000 -4.436 0.000) 4.436 2.379 ( -0.000 -3.767 0.000) 3.767 2.379 ( 0.000 -3.767 0.000) 3.767 2.431 ( -0.000 0.900 0.000) 0.900 2.431 ( 0.000 0.900 0.000) 0.900 2.574 ( -0.000 -4.779 0.000) 4.779 2.574 ( -0.000 -4.779 0.000) 4.779 2.757 ( -0.000 1.385 0.000) 1.385 2.757 ( 0.000 1.385 0.000) 1.385 2.857 ( -4.280 0.416 -4.216) 6.022 2.857 ( 4.256 0.384 -4.192) 5.986 2.857 ( -4.256 0.511 4.192) 5.995 2.857 ( 4.280 0.479 4.216) 6.027 3.107 ( -0.000 1.603 -0.000) 1.603 3.107 ( 0.000 1.603 0.000) 1.603 3.126 ( 0.000 7.958 0.000) 7.958 3.126 ( 0.000 7.958 0.000) 7.958 3.178 ( 0.000 7.284 0.000) 7.284 3.178 ( 0.000 7.284 0.000) 7.284 3.349 ( -0.000 6.059 0.000) 6.059 3.349 ( 0.000 6.059 0.000) 6.059 3.436 ( -0.000 1.580 -0.000) 1.580 3.436 ( 0.000 1.580 0.000) 1.580 3.854 ( -0.000 0.068 0.000) 0.068 3.854 ( 0.000 0.068 0.000) 0.068 4.104 ( -0.000 -3.478 0.000) 3.478 4.104 ( 0.000 -3.478 0.000) 3.478 4.329 ( -0.000 3.006 0.000) 3.006 4.329 ( 0.000 3.006 0.000) 3.006 4.344 ( -0.000 1.134 0.000) 1.134 4.344 ( 0.000 1.134 0.000) 1.134 4.607 ( -0.000 -0.546 -0.000) 0.546 4.607 ( -0.000 -0.546 0.000) 0.546 4.609 ( 0.000 -4.148 -0.000) 4.148 4.609 ( 0.000 -4.148 0.000) 4.148 4.753 ( -0.000 2.670 0.000) 2.670 4.753 ( 0.000 2.670 0.000) 2.670 4.849 ( 0.000 1.644 0.000) 1.644 4.849 ( 0.000 1.644 0.000) 1.644 4.935 ( -0.000 -2.504 0.000) 2.504 4.935 ( 0.000 -2.504 0.000) 2.504 5.224 ( 0.000 -4.002 0.000) 4.002 5.224 ( 0.000 -4.002 0.000) 4.002 11.454 ( -0.000 -0.731 -0.000) 0.731 11.454 ( -0.000 -0.731 0.000) 0.731 11.455 ( 0.000 -0.755 -0.000) 0.755 11.455 ( 0.000 -0.755 0.000) 0.755 11.650 ( -0.000 0.389 0.000) 0.389 11.650 ( 0.000 0.389 0.000) 0.389 11.657 ( -0.000 0.298 0.000) 0.298 11.657 ( 0.000 0.298 0.000) 0.298 15.799 ( -0.000 -0.243 0.000) 0.243 15.799 ( 0.000 -0.243 0.000) 0.243 15.830 ( -0.000 -3.096 0.000) 3.096 15.830 ( 0.000 -3.096 0.000) 3.096 15.954 ( 0.000 2.149 0.000) 2.149 15.954 ( 0.000 2.149 0.000) 2.149 16.060 ( -0.000 -0.607 0.000) 0.607 16.060 ( 0.000 -0.607 0.000) 0.607 16.115 ( -0.000 1.108 0.000) 1.108 16.115 ( 0.000 1.108 0.000) 1.108 16.138 ( 0.000 -0.517 0.000) 0.517 16.138 ( 0.000 -0.517 0.000) 0.517 26.226 ( -0.000 -0.050 0.000) 0.050 26.226 ( 0.000 -0.050 0.000) 0.050 26.231 ( -0.000 -0.121 0.000) 0.121 26.231 ( -0.000 -0.121 0.000) 0.121 28.697 ( -0.000 0.860 0.000) 0.860 28.697 ( 0.000 0.860 0.000) 0.860 28.732 ( -0.000 -1.328 0.000) 1.328 28.732 ( 0.000 -1.328 0.000) 1.328 29.030 ( -0.000 -1.871 0.000) 1.871 29.030 ( 0.000 -1.871 0.000) 1.871 29.241 ( -0.000 -6.558 0.000) 6.558 29.241 ( 0.000 -6.558 0.000) 6.558 29.588 ( 0.000 9.234 0.000) 9.234 29.588 ( 0.000 9.234 0.000) 9.234 30.039 ( -0.000 -0.823 0.000) 0.823 30.039 ( 0.000 -0.823 0.000) 0.823 ======================= Grid point 160 (55/60) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( 0.000 5.077 -1.988) 5.452 1.289 ( 0.000 5.077 1.988) 5.452 1.410 ( 0.000 1.621 -0.468) 1.687 1.410 ( 0.000 1.621 0.468) 1.687 1.504 ( 0.000 3.232 -0.702) 3.308 1.504 ( 0.000 3.233 0.702) 3.308 1.594 ( 0.000 4.717 -1.615) 4.986 1.594 ( 0.000 4.717 1.615) 4.986 1.733 ( 0.000 2.194 -2.482) 3.313 1.733 ( 0.000 2.194 2.482) 3.313 1.905 ( 0.000 -2.311 -0.676) 2.408 1.905 ( 0.000 -2.311 0.676) 2.408 1.983 ( 0.000 -2.329 -4.447) 5.020 1.983 ( 0.000 -2.329 4.447) 5.020 2.113 ( 0.000 -6.863 -0.925) 6.925 2.113 ( 0.000 -6.863 0.925) 6.925 2.180 ( 0.000 -5.218 -2.428) 5.755 2.180 ( 0.000 -5.218 2.428) 5.755 2.232 ( 0.000 -3.798 -0.460) 3.826 2.232 ( 0.000 -3.798 0.460) 3.826 2.391 ( 0.000 -0.609 -1.721) 1.826 2.391 ( 0.000 -0.609 1.721) 1.826 2.520 ( 0.000 -0.450 -1.283) 1.360 2.520 ( 0.000 -0.450 1.283) 1.360 2.797 ( 0.000 4.641 -1.032) 4.754 2.797 ( 0.000 4.641 1.032) 4.754 2.889 ( 0.000 3.364 -4.838) 5.893 2.889 ( 0.000 3.364 4.838) 5.893 2.929 ( 0.000 4.083 -0.471) 4.110 2.929 ( 0.000 4.083 0.471) 4.110 3.051 ( 0.000 3.532 -0.007) 3.532 3.051 ( 0.000 3.532 0.007) 3.532 3.196 ( 0.000 7.273 -0.713) 7.308 3.196 ( 0.000 7.273 0.713) 7.308 3.304 ( 0.000 2.021 -2.502) 3.216 3.304 ( 0.000 2.021 2.502) 3.216 3.446 ( 0.000 2.965 -8.514) 9.015 3.446 ( 0.000 2.965 8.514) 9.015 3.543 ( 0.000 -0.482 -3.205) 3.241 3.543 ( 0.000 -0.482 3.205) 3.241 3.831 ( 0.000 2.377 -0.274) 2.393 3.831 ( 0.000 2.377 0.274) 2.393 4.122 ( 0.000 -3.286 -0.213) 3.293 4.122 ( 0.000 -3.286 0.213) 3.293 4.237 ( 0.000 -1.372 -0.453) 1.445 4.237 ( 0.000 -1.372 0.453) 1.445 4.341 ( 0.000 0.497 -1.040) 1.153 4.341 ( 0.000 0.497 1.040) 1.153 4.429 ( 0.000 -1.458 -0.052) 1.459 4.429 ( 0.000 -1.458 0.052) 1.459 4.657 ( 0.000 0.605 -2.601) 2.670 4.657 ( 0.000 0.605 2.601) 2.670 4.766 ( 0.000 -1.059 -3.760) 3.906 4.766 ( 0.000 -1.059 3.760) 3.906 4.842 ( 0.000 0.964 -1.857) 2.092 4.842 ( 0.000 0.964 1.857) 2.092 4.958 ( 0.000 -3.440 -4.164) 5.401 4.958 ( 0.000 -3.440 4.164) 5.401 5.264 ( 0.000 0.378 -6.842) 6.852 5.264 ( 0.000 0.378 6.842) 6.852 11.354 ( 0.000 -0.413 -0.314) 0.519 11.354 ( 0.000 -0.413 0.314) 0.519 11.525 ( 0.000 0.014 -0.476) 0.476 11.525 ( 0.000 0.014 0.476) 0.476 11.537 ( 0.000 -1.294 -2.403) 2.729 11.537 ( 0.000 -1.294 2.403) 2.729 11.790 ( 0.000 0.485 -0.171) 0.514 11.790 ( 0.000 0.485 0.171) 0.514 15.784 ( 0.000 -0.391 -0.027) 0.392 15.784 ( 0.000 -0.391 0.027) 0.392 15.814 ( 0.000 -0.311 -0.154) 0.347 15.814 ( 0.000 -0.311 0.154) 0.347 15.951 ( 0.000 -0.277 -1.833) 1.854 15.951 ( 0.000 -0.277 1.833) 1.854 16.011 ( 0.000 1.187 -0.020) 1.187 16.011 ( 0.000 1.187 0.020) 1.187 16.119 ( 0.000 -2.385 -2.258) 3.284 16.119 ( 0.000 -2.385 2.258) 3.284 16.182 ( 0.000 1.534 -0.985) 1.823 16.182 ( 0.000 1.534 0.985) 1.823 26.218 ( 0.000 -0.029 -0.075) 0.080 26.218 ( 0.000 -0.029 0.075) 0.080 26.242 ( 0.000 -0.077 -0.069) 0.104 26.242 ( 0.000 -0.077 0.069) 0.104 28.610 ( 0.000 -1.404 -0.530) 1.501 28.610 ( 0.000 -1.404 0.530) 1.501 28.814 ( 0.000 3.333 -0.713) 3.409 28.814 ( 0.000 3.333 0.713) 3.409 28.958 ( 0.000 -3.971 -1.934) 4.417 28.958 ( 0.000 -3.971 1.934) 4.417 29.235 ( 0.000 -4.943 -2.119) 5.378 29.235 ( 0.000 -4.943 2.119) 5.378 29.498 ( 0.000 2.636 -1.323) 2.949 29.498 ( 0.000 2.636 1.323) 2.949 30.197 ( 0.000 3.663 -1.938) 4.144 30.197 ( 0.000 3.663 1.938) 4.144 ======================= Grid point 162 (56/60) ======================= q-point: ( 0.25 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( 2.817 6.631 -3.438) 7.983 1.323 ( 2.817 6.631 3.438) 7.983 1.430 ( 1.192 3.742 -2.420) 4.613 1.430 ( 1.192 3.742 2.420) 4.613 1.534 ( 1.306 5.308 -4.144) 6.860 1.534 ( 1.306 5.308 4.144) 6.860 1.615 ( 3.645 0.319 -2.812) 4.614 1.615 ( 3.645 0.319 2.812) 4.614 1.749 ( 0.961 2.545 -2.551) 3.729 1.749 ( 0.961 2.545 2.551) 3.729 1.880 ( -4.738 -2.342 -1.059) 5.390 1.880 ( -4.738 -2.342 1.059) 5.390 1.895 ( -3.789 -3.356 -4.979) 7.100 1.895 ( -3.789 -3.356 4.979) 7.100 2.008 ( -5.926 -5.910 -2.950) 8.874 2.008 ( -5.926 -5.910 2.950) 8.874 2.204 ( 1.362 -2.446 -0.679) 2.881 2.204 ( 1.362 -2.446 0.679) 2.881 2.300 ( 2.267 -2.442 -3.287) 4.681 2.300 ( 2.267 -2.442 3.287) 4.681 2.429 ( 2.762 -1.907 -1.744) 3.782 2.429 ( 2.762 -1.907 1.744) 3.782 2.501 ( -1.551 -1.855 -0.999) 2.616 2.501 ( -1.551 -1.855 0.999) 2.616 2.774 ( 0.973 3.841 -3.949) 5.594 2.774 ( 0.973 3.841 3.949) 5.594 2.861 ( -2.339 3.322 -2.737) 4.899 2.861 ( -2.339 3.322 2.737) 4.899 2.939 ( -0.885 2.189 -4.701) 5.261 2.939 ( -0.885 2.189 4.701) 5.261 3.071 ( 1.291 -0.500 -1.500) 2.041 3.071 ( 1.291 -0.500 1.500) 2.041 3.234 ( 2.646 6.855 -1.147) 7.437 3.234 ( 2.646 6.855 1.147) 7.437 3.302 ( -0.020 2.667 -1.881) 3.263 3.302 ( -0.020 2.667 1.881) 3.263 3.449 ( 0.907 5.595 -7.265) 9.214 3.449 ( 0.907 5.595 7.265) 9.214 3.540 ( -1.021 1.248 -3.574) 3.921 3.540 ( -1.021 1.248 3.574) 3.921 3.845 ( 1.414 2.401 -2.122) 3.502 3.845 ( 1.414 2.401 2.122) 3.502 4.078 ( -3.305 -3.733 -1.217) 5.133 4.078 ( -3.305 -3.733 1.217) 5.133 4.298 ( 4.875 -0.468 -0.951) 4.989 4.298 ( 4.875 -0.468 0.951) 4.989 4.361 ( 1.329 1.094 -0.737) 1.873 4.361 ( 1.329 1.094 0.737) 1.873 4.468 ( 3.323 -1.306 -0.274) 3.581 4.468 ( 3.323 -1.306 0.274) 3.581 4.647 ( -1.425 -0.125 -1.970) 2.435 4.647 ( -1.425 -0.125 1.970) 2.435 4.786 ( 1.263 -0.083 -3.220) 3.459 4.786 ( 1.263 -0.083 3.220) 3.459 4.853 ( 1.315 0.886 -3.412) 3.762 4.853 ( 1.315 0.886 3.412) 3.762 4.920 ( -2.683 -2.729 -3.383) 5.107 4.920 ( -2.683 -2.729 3.383) 5.107 5.203 ( -4.984 -1.704 -5.573) 7.669 5.203 ( -4.984 -1.704 5.573) 7.669 11.378 ( 2.160 -0.463 -1.059) 2.449 11.378 ( 2.160 -0.463 1.059) 2.449 11.506 ( -2.575 -1.021 -2.220) 3.550 11.506 ( -2.575 -1.021 2.220) 3.550 11.566 ( 3.483 0.061 -0.277) 3.494 11.566 ( 3.483 0.061 0.277) 3.494 11.752 ( -3.349 0.437 -0.184) 3.383 11.752 ( -3.349 0.437 0.184) 3.383 15.782 ( -0.093 -0.746 -0.158) 0.768 15.782 ( -0.093 -0.746 0.158) 0.768 15.801 ( -0.835 -0.809 -0.358) 1.216 15.801 ( -0.835 -0.809 0.358) 1.216 15.985 ( 1.977 1.566 -1.830) 3.116 15.985 ( 1.977 1.566 1.830) 3.116 16.019 ( 1.247 0.193 -0.815) 1.502 16.019 ( 1.247 0.193 0.815) 1.502 16.115 ( -0.229 -2.181 -2.198) 3.105 16.115 ( -0.229 -2.181 2.198) 3.105 16.163 ( -1.701 1.050 -0.740) 2.132 16.163 ( -1.701 1.050 0.740) 2.132 26.220 ( 0.172 -0.039 -0.083) 0.195 26.220 ( 0.172 -0.039 0.083) 0.195 26.237 ( -0.430 -0.084 -0.079) 0.445 26.237 ( -0.430 -0.084 0.079) 0.445 28.641 ( 2.770 -0.981 -0.446) 2.972 28.641 ( 2.770 -0.981 0.446) 2.972 28.785 ( -2.601 2.026 -0.606) 3.352 28.785 ( -2.601 2.026 0.606) 3.352 28.973 ( 1.236 -2.724 -1.764) 3.472 28.973 ( 1.236 -2.724 1.764) 3.472 29.166 ( -4.225 -5.171 -2.571) 7.155 29.166 ( -4.225 -5.171 2.571) 7.155 29.625 ( 9.240 4.101 -1.721) 10.255 29.625 ( 9.240 4.101 1.721) 10.255 30.124 ( -6.251 2.142 -1.658) 6.813 30.124 ( -6.251 2.142 1.658) 6.813 ======================= Grid point 164 (57/60) ======================= q-point: (-0.50 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( -0.000 10.643 0.000) 10.643 1.378 ( -0.000 10.643 0.000) 10.643 1.417 ( 0.000 5.791 -0.000) 5.791 1.417 ( 0.000 5.791 0.000) 5.791 1.578 ( 0.000 -0.868 0.000) 0.868 1.578 ( -0.000 -0.868 0.000) 0.868 1.684 ( 0.000 3.016 0.000) 3.016 1.684 ( 0.000 3.016 0.000) 3.016 1.737 ( 0.000 -1.699 0.000) 1.699 1.737 ( -0.000 -1.699 0.000) 1.699 1.802 ( -0.000 0.699 0.000) 0.699 1.802 ( -0.000 0.699 0.000) 0.699 1.885 ( -0.000 -3.830 0.000) 3.830 1.885 ( 0.000 -3.830 0.000) 3.830 1.901 ( 0.000 -3.612 0.000) 3.612 1.901 ( 0.000 -3.612 0.000) 3.612 2.235 ( 0.000 -2.187 0.000) 2.187 2.235 ( 0.000 -2.187 0.000) 2.187 2.304 ( -0.000 -3.222 0.000) 3.222 2.304 ( 0.000 -3.222 0.000) 3.222 2.449 ( -0.000 0.534 0.000) 0.534 2.449 ( 0.000 0.534 0.000) 0.534 2.497 ( 0.000 -3.231 0.000) 3.231 2.497 ( 0.000 -3.231 0.000) 3.231 2.811 ( 0.000 2.958 0.000) 2.958 2.811 ( -0.000 2.958 0.000) 2.958 2.855 ( -0.000 0.030 0.000) 0.030 2.855 ( 0.000 0.030 0.000) 0.030 2.884 ( 0.000 3.032 -0.000) 3.032 2.884 ( -0.000 3.032 0.000) 3.032 3.085 ( 0.000 -3.944 0.000) 3.944 3.085 ( 0.000 -3.944 0.000) 3.944 3.274 ( -0.000 5.538 0.000) 5.538 3.274 ( 0.000 5.538 0.000) 5.538 3.301 ( -0.000 4.100 0.000) 4.100 3.301 ( 0.000 4.100 0.000) 4.100 3.478 ( -0.000 6.138 0.000) 6.138 3.478 ( 0.000 6.138 0.000) 6.138 3.506 ( -0.000 4.559 -0.000) 4.559 3.506 ( 0.000 4.559 0.000) 4.559 3.871 ( -0.000 2.059 0.000) 2.059 3.871 ( 0.000 2.059 0.000) 2.059 4.029 ( -0.000 -4.066 0.000) 4.066 4.029 ( 0.000 -4.066 0.000) 4.066 4.368 ( -0.000 1.124 0.000) 1.124 4.368 ( 0.000 1.124 0.000) 1.124 4.381 ( 0.000 1.710 0.000) 1.710 4.381 ( 0.000 1.710 0.000) 1.710 4.543 ( -0.000 -1.744 0.000) 1.744 4.543 ( 0.000 -1.744 0.000) 1.744 4.593 ( 0.000 -1.089 0.000) 1.089 4.593 ( 0.000 -1.089 0.000) 1.089 4.796 ( -0.000 1.658 0.000) 1.658 4.796 ( 0.000 1.658 0.000) 1.658 4.856 ( -0.000 -1.975 0.000) 1.975 4.856 ( 0.000 -1.975 0.000) 1.975 4.919 ( 0.000 2.515 0.000) 2.515 4.919 ( 0.000 2.515 0.000) 2.515 5.120 ( -0.000 -6.090 0.000) 6.090 5.120 ( 0.000 -6.090 0.000) 6.090 11.439 ( -3.334 -0.671 -1.835) 3.864 11.439 ( 3.333 -0.671 -1.835) 3.864 11.439 ( -3.333 -0.671 1.835) 3.864 11.439 ( 3.333 -0.671 1.835) 3.864 11.658 ( 0.000 0.384 0.000) 0.384 11.658 ( 0.000 0.384 0.000) 0.384 11.662 ( -0.000 0.190 0.000) 0.190 11.662 ( -0.000 0.190 0.000) 0.190 15.783 ( 0.000 -1.421 0.000) 1.421 15.783 ( 0.000 -1.421 0.000) 1.421 15.789 ( -0.000 -0.773 0.000) 0.773 15.789 ( 0.000 -0.773 0.000) 0.773 16.000 ( 0.000 2.521 0.000) 2.521 16.000 ( -0.000 2.521 0.000) 2.521 16.055 ( -0.000 0.089 0.000) 0.089 16.055 ( 0.000 0.089 0.000) 0.089 16.120 ( 0.000 -1.229 -0.000) 1.229 16.120 ( 0.000 -1.229 0.000) 1.229 16.123 ( -0.000 -0.396 -0.000) 0.396 16.123 ( -0.000 -0.396 0.000) 0.396 26.225 ( -0.000 0.001 0.000) 0.001 26.225 ( 0.000 0.001 0.000) 0.001 26.228 ( -0.000 -0.140 0.000) 0.140 26.228 ( -0.000 -0.140 0.000) 0.140 28.713 ( -0.000 -0.329 0.000) 0.329 28.713 ( 0.000 -0.329 0.000) 0.329 28.716 ( -0.000 0.767 0.000) 0.767 28.716 ( 0.000 0.767 -0.000) 0.767 28.994 ( -0.000 -1.157 0.000) 1.157 28.994 ( 0.000 -1.157 0.000) 1.157 29.111 ( -0.000 -6.254 0.000) 6.254 29.111 ( 0.000 -6.254 0.000) 6.254 29.775 ( -0.000 9.049 0.000) 9.049 29.775 ( 0.000 9.049 0.000) 9.049 30.008 ( -0.000 -2.606 0.000) 2.606 30.008 ( 0.000 -2.606 0.000) 2.606 ======================= Grid point 170 (58/60) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( 0.000 0.000 0.000) 0.000 1.327 ( 0.000 0.000 0.000) 0.000 1.433 ( 0.000 0.000 0.000) 0.000 1.433 ( 0.000 0.000 0.000) 0.000 1.525 ( 0.000 0.000 0.000) 0.000 1.525 ( 0.000 0.000 0.000) 0.000 1.706 ( 0.000 -0.000 0.000) 0.000 1.706 ( 0.000 0.000 0.000) 0.000 1.749 ( 0.000 -0.000 0.000) 0.000 1.749 ( 0.000 0.000 0.000) 0.000 1.885 ( 0.000 0.000 0.000) 0.000 1.885 ( 0.000 0.000 0.000) 0.000 1.959 ( 0.000 0.000 0.000) 0.000 1.959 ( 0.000 0.000 0.000) 0.000 1.998 ( 0.000 0.000 0.000) 0.000 1.998 ( 0.000 0.000 0.000) 0.000 2.132 ( 0.000 0.000 0.000) 0.000 2.132 ( 0.000 0.000 0.000) 0.000 2.180 ( 0.000 0.000 0.000) 0.000 2.180 ( 0.000 0.000 0.000) 0.000 2.389 ( 0.000 0.000 0.000) 0.000 2.389 ( 0.000 0.000 0.000) 0.000 2.519 ( 0.000 0.000 0.000) 0.000 2.519 ( 0.000 0.000 0.000) 0.000 2.848 ( 0.000 0.000 0.000) 0.000 2.848 ( 0.000 0.000 0.000) 0.000 2.919 ( 0.000 0.000 0.000) 0.000 2.919 ( 0.000 0.000 0.000) 0.000 3.023 ( 0.000 -0.000 0.000) 0.000 3.023 ( 0.000 0.000 0.000) 0.000 3.036 ( 0.000 -0.000 -0.000) 0.000 3.036 ( 0.000 0.000 -0.000) 0.000 3.292 ( 0.000 0.000 0.000) 0.000 3.292 ( 0.000 0.000 0.000) 0.000 3.319 ( 0.000 0.000 -0.000) 0.000 3.319 ( 0.000 -0.000 0.000) 0.000 3.488 ( 0.000 0.000 0.000) 0.000 3.488 ( 0.000 0.000 0.000) 0.000 3.526 ( 0.000 -0.000 -0.000) 0.000 3.526 ( 0.000 0.000 -0.000) 0.000 3.871 ( 0.000 -0.000 0.000) 0.000 3.871 ( 0.000 0.000 0.000) 0.000 4.072 ( 0.000 -0.000 0.000) 0.000 4.072 ( 0.000 0.000 0.000) 0.000 4.226 ( 0.000 0.000 0.000) 0.000 4.226 ( 0.000 0.000 0.000) 0.000 4.342 ( 0.000 0.000 0.000) 0.000 4.342 ( 0.000 0.000 0.000) 0.000 4.414 ( 0.000 0.000 0.000) 0.000 4.414 ( 0.000 0.000 0.000) 0.000 4.668 ( 0.000 -0.000 0.000) 0.000 4.668 ( 0.000 0.000 0.000) 0.000 4.745 ( 0.000 0.000 0.000) 0.000 4.745 ( 0.000 0.000 0.000) 0.000 4.855 ( 0.000 0.000 0.000) 0.000 4.855 ( 0.000 0.000 0.000) 0.000 4.919 ( 0.000 0.000 0.000) 0.000 4.919 ( 0.000 0.000 0.000) 0.000 5.269 ( 0.000 0.000 0.000) 0.000 5.269 ( 0.000 0.000 0.000) 0.000 11.349 ( 0.000 0.000 0.000) 0.000 11.349 ( 0.000 0.000 0.000) 0.000 11.523 ( 0.000 0.000 0.000) 0.000 11.523 ( 0.000 0.000 0.000) 0.000 11.526 ( 0.000 0.000 0.000) 0.000 11.526 ( 0.000 0.000 0.000) 0.000 11.795 ( 0.000 0.000 0.000) 0.000 11.795 ( 0.000 0.000 0.000) 0.000 15.783 ( 0.000 0.000 0.000) 0.000 15.783 ( 0.000 0.000 0.000) 0.000 15.808 ( 0.000 0.000 0.000) 0.000 15.808 ( 0.000 0.000 0.000) 0.000 15.943 ( 0.000 0.000 0.000) 0.000 15.943 ( 0.000 0.000 0.000) 0.000 16.057 ( 0.000 -0.000 -0.000) 0.000 16.057 ( 0.000 -0.000 0.000) 0.000 16.064 ( 0.000 0.000 0.000) 0.000 16.064 ( 0.000 0.000 0.000) 0.000 16.198 ( 0.000 0.000 0.000) 0.000 16.198 ( 0.000 0.000 0.000) 0.000 26.218 ( 0.000 0.000 0.000) 0.000 26.218 ( 0.000 0.000 0.000) 0.000 26.241 ( 0.000 0.000 0.000) 0.000 26.241 ( 0.000 0.000 0.000) 0.000 28.595 ( 0.000 0.000 0.000) 0.000 28.595 ( 0.000 0.000 0.000) 0.000 28.858 ( 0.000 0.000 0.000) 0.000 28.858 ( 0.000 0.000 0.000) 0.000 28.913 ( 0.000 0.000 0.000) 0.000 28.913 ( 0.000 0.000 0.000) 0.000 29.173 ( 0.000 0.000 0.000) 0.000 29.173 ( 0.000 0.000 0.000) 0.000 29.529 ( 0.000 0.000 0.000) 0.000 29.529 ( 0.000 0.000 0.000) 0.000 30.235 ( 0.000 0.000 0.000) 0.000 30.235 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 174 (59/60) ======================= q-point: ( 0.25 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( 5.377 0.000 0.000) 5.377 1.387 ( 5.377 0.000 0.000) 5.377 1.465 ( 2.922 -0.000 0.000) 2.922 1.465 ( 2.922 0.000 0.000) 2.922 1.601 ( 5.926 0.000 0.000) 5.926 1.601 ( 5.926 0.000 0.000) 5.926 1.670 ( -3.462 -0.000 0.000) 3.462 1.670 ( -3.462 0.000 0.000) 3.462 1.739 ( -3.602 0.000 0.000) 3.602 1.739 ( -3.602 0.000 0.000) 3.602 1.849 ( -3.460 -0.000 -0.000) 3.460 1.849 ( -3.460 -0.000 0.000) 3.460 1.855 ( -3.035 0.000 -0.000) 3.035 1.855 ( -3.035 0.000 0.000) 3.035 1.939 ( -3.040 0.000 0.000) 3.040 1.939 ( -3.040 0.000 0.000) 3.040 2.180 ( 2.281 0.000 0.000) 2.281 2.180 ( 2.281 0.000 0.000) 2.281 2.272 ( 3.632 0.000 -0.000) 3.632 2.272 ( 3.632 0.000 0.000) 3.632 2.406 ( 2.185 0.000 0.000) 2.185 2.406 ( 2.185 0.000 0.000) 2.185 2.487 ( -2.604 0.000 0.000) 2.604 2.487 ( -2.604 0.000 0.000) 2.604 2.820 ( -0.508 0.000 0.000) 0.508 2.820 ( -0.508 0.000 0.000) 0.508 2.901 ( -1.801 0.000 -0.000) 1.801 2.901 ( -1.801 0.000 0.000) 1.801 3.001 ( -2.345 -0.000 0.000) 2.345 3.001 ( -2.345 0.000 0.000) 2.345 3.011 ( -1.255 -0.000 -0.000) 1.255 3.011 ( -1.255 0.000 0.000) 1.255 3.316 ( 1.491 0.000 -0.000) 1.491 3.316 ( 1.491 0.000 0.000) 1.491 3.322 ( 0.493 -0.000 -0.000) 0.493 3.322 ( 0.493 -0.000 0.000) 0.493 3.530 ( 2.472 0.000 0.000) 2.472 3.530 ( 2.472 -0.000 0.000) 2.472 3.536 ( 0.881 0.000 -0.000) 0.881 3.536 ( 0.881 -0.000 -0.000) 0.881 3.890 ( 1.668 -0.000 0.000) 1.668 3.890 ( 1.668 0.000 0.000) 1.668 4.023 ( -3.876 -0.000 0.000) 3.876 4.023 ( -3.876 0.000 0.000) 3.876 4.293 ( 5.504 0.000 0.000) 5.504 4.293 ( 5.504 0.000 0.000) 5.504 4.371 ( 1.963 0.000 0.000) 1.963 4.371 ( 1.963 0.000 0.000) 1.963 4.454 ( 3.403 0.000 0.000) 3.403 4.454 ( 3.403 0.000 0.000) 3.403 4.646 ( -2.296 0.000 0.000) 2.296 4.646 ( -2.296 0.000 0.000) 2.296 4.777 ( 2.477 0.000 0.000) 2.477 4.777 ( 2.477 0.000 0.000) 2.477 4.873 ( 2.557 -0.000 -0.000) 2.557 4.873 ( 2.557 0.000 0.000) 2.557 4.884 ( -2.979 0.000 -0.000) 2.979 4.884 ( -2.979 0.000 0.000) 2.979 5.186 ( -7.262 0.000 0.000) 7.262 5.186 ( -7.262 0.000 0.000) 7.262 11.373 ( 2.105 0.000 0.000) 2.105 11.373 ( 2.105 0.000 0.000) 2.105 11.495 ( -2.417 0.000 0.000) 2.417 11.495 ( -2.417 0.000 0.000) 2.417 11.567 ( 3.600 0.000 0.000) 3.600 11.567 ( 3.600 0.000 0.000) 3.600 11.757 ( -3.403 0.000 0.000) 3.403 11.757 ( -3.403 0.000 0.000) 3.403 15.779 ( -0.361 -0.000 0.000) 0.361 15.779 ( -0.361 0.000 0.000) 0.361 15.789 ( -1.133 0.000 0.000) 1.133 15.789 ( -1.133 0.000 0.000) 1.133 15.992 ( 3.597 0.000 0.000) 3.597 15.992 ( 3.597 0.000 0.000) 3.597 16.059 ( -0.413 -0.000 -0.000) 0.413 16.059 ( -0.413 0.000 0.000) 0.413 16.062 ( 0.697 -0.000 0.000) 0.697 16.062 ( 0.697 0.000 0.000) 0.697 16.174 ( -2.240 0.000 0.000) 2.240 16.174 ( -2.240 0.000 0.000) 2.240 26.220 ( 0.167 0.000 0.000) 0.167 26.220 ( 0.167 0.000 0.000) 0.167 26.236 ( -0.438 0.000 0.000) 0.438 26.236 ( -0.438 0.000 0.000) 0.438 28.632 ( 3.203 0.000 0.000) 3.203 28.632 ( 3.203 0.000 0.000) 3.203 28.807 ( -3.683 0.000 0.000) 3.683 28.807 ( -3.683 0.000 0.000) 3.683 28.949 ( 2.443 0.000 0.000) 2.443 28.949 ( 2.443 0.000 0.000) 2.443 29.103 ( -4.732 0.000 0.000) 4.732 29.103 ( -4.732 0.000 0.000) 4.732 29.669 ( 10.867 0.000 0.000) 10.867 29.669 ( 10.867 0.000 0.000) 10.867 30.147 ( -7.869 0.000 0.000) 7.869 30.147 ( -7.869 0.000 0.000) 7.869 ======================= Grid point 178 (60/60) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( -1.084 -3.179 0.000) 3.359 1.519 ( -1.084 -3.179 0.000) 3.359 1.519 ( 1.084 3.179 0.000) 3.359 1.519 ( 1.084 3.179 0.000) 3.359 1.595 ( -0.025 -9.106 -0.000) 9.106 1.595 ( -0.025 -9.106 -0.000) 9.106 1.595 ( 0.025 9.106 0.000) 9.106 1.595 ( 0.025 9.106 0.000) 9.106 1.755 ( -4.141 -2.333 0.000) 4.753 1.755 ( -4.141 -2.333 0.000) 4.753 1.755 ( 4.141 2.333 0.000) 4.753 1.755 ( 4.141 2.333 0.000) 4.753 1.876 ( -2.478 -0.672 0.000) 2.567 1.876 ( -2.478 -0.672 0.000) 2.568 1.876 ( 2.478 0.672 0.000) 2.568 1.876 ( 2.478 0.672 0.000) 2.568 2.245 ( -2.502 -2.138 0.000) 3.291 2.245 ( -2.502 -2.138 0.000) 3.291 2.245 ( 2.502 2.138 0.000) 3.291 2.245 ( 2.502 2.138 0.000) 3.291 2.456 ( -0.912 -0.543 0.000) 1.061 2.456 ( -0.912 -0.543 0.000) 1.061 2.456 ( 0.912 0.543 0.000) 1.061 2.456 ( 0.912 0.543 0.000) 1.061 2.850 ( -2.028 -0.569 0.000) 2.106 2.850 ( -2.028 -0.569 0.000) 2.106 2.850 ( 2.028 0.569 0.000) 2.106 2.850 ( 2.028 0.569 0.000) 2.106 2.980 ( -0.055 -5.879 0.000) 5.879 2.980 ( -0.055 -5.879 0.000) 5.879 2.980 ( 0.055 5.879 0.000) 5.879 2.980 ( 0.055 5.879 0.000) 5.879 3.333 ( -0.004 -0.673 0.000) 0.673 3.333 ( -0.004 -0.673 0.000) 0.673 3.333 ( 0.004 0.673 0.000) 0.673 3.333 ( 0.004 0.673 0.000) 0.673 3.553 ( -0.053 -0.752 0.000) 0.754 3.553 ( -0.053 -0.752 0.000) 0.754 3.553 ( 0.053 0.752 0.000) 0.754 3.553 ( 0.053 0.752 0.000) 0.754 3.941 ( -1.059 -4.354 0.000) 4.481 3.941 ( -1.059 -4.354 0.000) 4.481 3.941 ( 1.059 4.354 0.000) 4.481 3.941 ( 1.059 4.354 0.000) 4.481 4.386 ( -1.178 -0.432 0.000) 1.254 4.386 ( -1.178 -0.432 0.000) 1.254 4.386 ( 1.178 0.432 0.000) 1.254 4.386 ( 1.178 0.432 0.000) 1.254 4.556 ( -4.537 -1.406 0.000) 4.750 4.556 ( -4.537 -1.406 0.000) 4.750 4.556 ( 4.537 1.406 0.000) 4.750 4.556 ( 4.537 1.406 0.000) 4.750 4.822 ( -1.455 -0.938 0.000) 1.731 4.822 ( -1.455 -0.938 0.000) 1.731 4.822 ( 1.455 0.938 0.000) 1.731 4.822 ( 1.455 0.938 0.000) 1.731 5.001 ( -5.415 -4.285 0.000) 6.905 5.001 ( -5.415 -4.285 0.000) 6.905 5.001 ( 5.415 4.285 0.000) 6.905 5.001 ( 5.415 4.285 0.000) 6.905 11.432 ( -3.184 0.000 0.000) 3.184 11.432 ( -3.184 0.000 0.000) 3.184 11.432 ( 3.184 0.000 0.000) 3.184 11.432 ( 3.184 0.000 0.000) 3.184 11.663 ( -4.933 -0.006 0.000) 4.933 11.663 ( -4.933 -0.006 0.000) 4.933 11.663 ( 4.933 0.006 0.000) 4.933 11.663 ( 4.933 0.006 0.000) 4.933 15.775 ( -0.031 -0.406 0.000) 0.407 15.775 ( -0.031 -0.406 0.000) 0.407 15.775 ( 0.031 0.406 0.000) 0.407 15.775 ( 0.031 0.406 0.000) 0.407 16.045 ( -0.328 -1.549 -0.000) 1.583 16.045 ( -0.328 -1.549 0.000) 1.583 16.045 ( 0.328 1.549 0.000) 1.583 16.045 ( 0.328 1.549 0.000) 1.583 16.109 ( -3.335 -0.159 0.000) 3.338 16.109 ( -3.335 -0.159 0.000) 3.338 16.109 ( 3.335 0.159 0.000) 3.338 16.109 ( 3.335 0.159 0.000) 3.338 26.226 ( -0.396 -0.031 0.000) 0.397 26.226 ( -0.396 -0.031 0.000) 0.397 26.226 ( 0.396 0.031 0.000) 0.397 26.226 ( 0.396 0.031 0.000) 0.397 28.718 ( -4.352 -0.094 0.000) 4.353 28.718 ( -4.352 -0.094 0.000) 4.353 28.718 ( 4.352 0.094 0.000) 4.353 28.718 ( 4.352 0.094 0.000) 4.353 29.012 ( -1.701 -2.864 0.000) 3.331 29.012 ( -1.701 -2.864 0.000) 3.331 29.012 ( 1.701 2.864 0.000) 3.331 29.012 ( 1.701 2.864 0.000) 3.331 29.926 ( -8.625 -4.159 0.000) 9.576 29.926 ( -8.625 -4.159 0.000) 9.576 29.926 ( 8.625 4.159 0.000) 9.576 29.926 ( 8.625 4.159 0.000) 9.576 =================== 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 3/18432 10.0 147.439 111.588 135.757 0.000 0.000 0.000 3/18432 20.0 18.855 12.843 15.489 0.000 0.000 0.000 3/18432 30.0 7.379 5.028 6.213 0.000 0.000 0.000 3/18432 40.0 4.236 2.948 3.663 0.000 0.000 0.000 3/18432 50.0 2.913 2.071 2.572 0.000 0.000 0.000 3/18432 60.0 2.217 1.604 1.987 0.000 0.000 0.000 3/18432 70.0 1.796 1.317 1.627 0.000 0.000 0.000 3/18432 80.0 1.515 1.122 1.384 0.000 0.000 0.000 3/18432 90.0 1.315 0.980 1.208 0.000 0.000 0.000 3/18432 100.0 1.164 0.873 1.074 0.000 0.000 0.000 3/18432 110.0 1.047 0.788 0.969 0.000 0.000 0.000 3/18432 120.0 0.952 0.719 0.884 0.000 0.000 0.000 3/18432 130.0 0.875 0.662 0.813 0.000 0.000 0.000 3/18432 140.0 0.809 0.614 0.753 0.000 0.000 0.000 3/18432 150.0 0.754 0.573 0.702 0.000 0.000 0.000 3/18432 160.0 0.706 0.538 0.658 0.000 0.000 0.000 3/18432 170.0 0.664 0.507 0.619 0.000 0.000 0.000 3/18432 180.0 0.628 0.480 0.585 0.000 0.000 0.000 3/18432 190.0 0.595 0.456 0.555 0.000 0.000 0.000 3/18432 200.0 0.566 0.435 0.528 0.000 0.000 0.000 3/18432 210.0 0.541 0.417 0.504 0.000 0.000 0.000 3/18432 220.0 0.517 0.400 0.483 0.000 0.000 0.000 3/18432 230.0 0.496 0.385 0.463 0.000 0.000 0.000 3/18432 240.0 0.477 0.371 0.445 0.000 0.000 0.000 3/18432 250.0 0.460 0.359 0.429 0.000 0.000 0.000 3/18432 260.0 0.444 0.348 0.414 0.000 0.000 0.000 3/18432 270.0 0.429 0.338 0.400 0.000 0.000 0.000 3/18432 280.0 0.415 0.328 0.387 0.000 0.000 0.000 3/18432 290.0 0.402 0.319 0.375 0.000 0.000 0.000 3/18432 300.0 0.391 0.311 0.364 0.000 0.000 0.000 3/18432 310.0 0.380 0.304 0.354 0.000 0.000 0.000 3/18432 320.0 0.369 0.297 0.344 0.000 0.000 0.000 3/18432 330.0 0.360 0.290 0.335 0.000 0.000 0.000 3/18432 340.0 0.351 0.284 0.327 0.000 0.000 0.000 3/18432 350.0 0.342 0.278 0.319 0.000 0.000 0.000 3/18432 360.0 0.334 0.273 0.311 0.000 0.000 0.000 3/18432 370.0 0.326 0.268 0.304 0.000 0.000 0.000 3/18432 380.0 0.319 0.263 0.297 0.000 0.000 0.000 3/18432 390.0 0.312 0.258 0.291 0.000 0.000 0.000 3/18432 400.0 0.306 0.253 0.285 0.000 0.000 0.000 3/18432 410.0 0.299 0.249 0.279 0.000 0.000 0.000 3/18432 420.0 0.293 0.245 0.273 0.000 0.000 0.000 3/18432 430.0 0.287 0.241 0.268 0.000 0.000 0.000 3/18432 440.0 0.282 0.237 0.262 0.000 0.000 0.000 3/18432 450.0 0.277 0.233 0.258 0.000 0.000 0.000 3/18432 460.0 0.271 0.229 0.253 0.000 0.000 0.000 3/18432 470.0 0.267 0.226 0.248 0.000 0.000 0.000 3/18432 480.0 0.262 0.222 0.244 0.000 0.000 0.000 3/18432 490.0 0.257 0.219 0.239 0.000 0.000 0.000 3/18432 500.0 0.253 0.216 0.235 0.000 0.000 0.000 3/18432 510.0 0.249 0.213 0.231 0.000 0.000 0.000 3/18432 520.0 0.245 0.210 0.228 0.000 0.000 0.000 3/18432 530.0 0.241 0.207 0.224 0.000 0.000 0.000 3/18432 540.0 0.237 0.204 0.220 0.000 0.000 0.000 3/18432 550.0 0.233 0.201 0.217 0.000 0.000 0.000 3/18432 560.0 0.229 0.198 0.213 0.000 0.000 0.000 3/18432 570.0 0.226 0.196 0.210 0.000 0.000 0.000 3/18432 580.0 0.223 0.193 0.207 0.000 0.000 0.000 3/18432 590.0 0.219 0.191 0.204 0.000 0.000 0.000 3/18432 600.0 0.216 0.188 0.201 0.000 0.000 0.000 3/18432 610.0 0.213 0.186 0.198 0.000 0.000 0.000 3/18432 620.0 0.210 0.183 0.195 0.000 0.000 0.000 3/18432 630.0 0.207 0.181 0.193 0.000 0.000 0.000 3/18432 640.0 0.204 0.179 0.190 0.000 0.000 0.000 3/18432 650.0 0.201 0.177 0.187 0.000 0.000 0.000 3/18432 660.0 0.199 0.175 0.185 0.000 0.000 0.000 3/18432 670.0 0.196 0.173 0.182 0.000 0.000 0.000 3/18432 680.0 0.193 0.171 0.180 0.000 0.000 0.000 3/18432 690.0 0.191 0.169 0.178 0.000 0.000 0.000 3/18432 700.0 0.189 0.167 0.175 0.000 0.000 0.000 3/18432 710.0 0.186 0.165 0.173 0.000 0.000 0.000 3/18432 720.0 0.184 0.163 0.171 0.000 0.000 0.000 3/18432 730.0 0.182 0.161 0.169 0.000 0.000 0.000 3/18432 740.0 0.179 0.159 0.167 0.000 0.000 0.000 3/18432 750.0 0.177 0.157 0.165 0.000 0.000 0.000 3/18432 760.0 0.175 0.156 0.163 0.000 0.000 0.000 3/18432 770.0 0.173 0.154 0.161 0.000 0.000 0.000 3/18432 780.0 0.171 0.152 0.159 0.000 0.000 0.000 3/18432 790.0 0.169 0.151 0.157 0.000 0.000 0.000 3/18432 800.0 0.167 0.149 0.155 0.000 0.000 0.000 3/18432 810.0 0.165 0.148 0.154 0.000 0.000 0.000 3/18432 820.0 0.163 0.146 0.152 0.000 0.000 0.000 3/18432 830.0 0.162 0.145 0.150 0.000 0.000 0.000 3/18432 840.0 0.160 0.143 0.149 0.000 0.000 0.000 3/18432 850.0 0.158 0.142 0.147 0.000 0.000 0.000 3/18432 860.0 0.156 0.140 0.145 0.000 0.000 0.000 3/18432 870.0 0.155 0.139 0.144 0.000 0.000 0.000 3/18432 880.0 0.153 0.138 0.142 0.000 0.000 0.000 3/18432 890.0 0.152 0.136 0.141 0.000 0.000 0.000 3/18432 900.0 0.150 0.135 0.139 0.000 0.000 0.000 3/18432 910.0 0.149 0.134 0.138 0.000 0.000 0.000 3/18432 920.0 0.147 0.132 0.137 0.000 0.000 0.000 3/18432 930.0 0.146 0.131 0.135 0.000 0.000 0.000 3/18432 940.0 0.144 0.130 0.134 0.000 0.000 0.000 3/18432 950.0 0.143 0.129 0.133 0.000 0.000 0.000 3/18432 960.0 0.141 0.128 0.131 0.000 0.000 0.000 3/18432 970.0 0.140 0.126 0.130 0.000 0.000 0.000 3/18432 980.0 0.139 0.125 0.129 0.000 0.000 0.000 3/18432 990.0 0.137 0.124 0.128 0.000 0.000 0.000 3/18432 1000.0 0.136 0.123 0.126 0.000 0.000 0.000 3/18432 Thermal conductivity related properties were written into "kappa-m468.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 14:10:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|