----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 07:12:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pna2_1 (33) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.921425620000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.629162809999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.708200109999998 Atomic positions (fractional): *1 Li 0.74894184667073 0.11991670222594 0.11085477869650 6.941 2 Li 0.25105815332927 0.88008329777406 0.61085477869650 6.941 3 Li 0.24894184667073 0.38008329777406 0.11085477869650 6.941 4 Li 0.75105815332927 0.61991670222594 0.61085477869650 6.941 *5 Li 0.07740417317960 0.35364456625905 0.81249543274864 6.941 6 Li 0.92259582682040 0.64635543374095 0.31249543274864 6.941 *7 Li 0.56426719125403 0.45510830743612 0.27791136566831 6.941 8 Li 0.43573280874597 0.54489169256388 0.77791136566831 6.941 9 Li 0.06426719125403 0.04489169256388 0.27791136566831 6.941 10 Li 0.93573280874597 0.95510830743612 0.77791136566831 6.941 11 Li 0.57740417317960 0.14635543374095 0.81249543274864 6.941 12 Li 0.42259582682040 0.85364456625905 0.31249543274864 6.941 *13 S 0.65918034846381 0.79497851753806 0.82318194129720 32.065 14 S 0.34081965153619 0.20502148246194 0.32318194129720 32.065 15 S 0.15918034846381 0.70502148246194 0.82318194129720 32.065 16 S 0.84081965153619 0.29497851753806 0.32318194129720 32.065 *17 S 0.31294958327245 0.21497741608825 0.68780934133451 32.065 18 S 0.68705041672755 0.78502258391175 0.18780934133451 32.065 *19 S 0.54189030501727 0.36307543602454 0.00985025739231 32.065 20 S 0.45810969498273 0.63692456397546 0.50985025739231 32.065 21 S 0.04189030501727 0.13692456397546 0.00985025739231 32.065 22 S 0.95810969498273 0.86307543602454 0.50985025739231 32.065 23 S 0.81294958327245 0.28502258391175 0.68780934133451 32.065 24 S 0.18705041672755 0.71497741608825 0.18780934133451 32.065 *25 As 0.75025901140113 0.10089041604119 0.49859687286252 74.922 26 As 0.24974098859887 0.89910958395881 0.99859687286252 74.922 27 As 0.25025901140113 0.39910958395881 0.49859687286252 74.922 28 As 0.74974098859887 0.60089041604119 0.99859687286252 74.922 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.921425620000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.629162809999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.708200109999998 Atomic positions (fractional): *1 Li 0.74894184667073 0.11991670222594 0.11085477869650 6.941 > 1 2 Li 0.25105815332927 0.88008329777406 0.61085477869650 6.941 > 2 3 Li 0.24894184667073 0.38008329777406 0.11085477869650 6.941 > 3 4 Li 0.75105815332927 0.61991670222594 0.61085477869650 6.941 > 4 *5 Li 0.07740417317960 0.35364456625905 0.81249543274864 6.941 > 5 6 Li 0.92259582682040 0.64635543374095 0.31249543274864 6.941 > 6 *7 Li 0.56426719125403 0.45510830743612 0.27791136566831 6.941 > 7 8 Li 0.43573280874597 0.54489169256388 0.77791136566831 6.941 > 8 9 Li 0.06426719125403 0.04489169256388 0.27791136566831 6.941 > 9 10 Li 0.93573280874597 0.95510830743612 0.77791136566831 6.941 > 10 11 Li 0.57740417317960 0.14635543374095 0.81249543274864 6.941 > 11 12 Li 0.42259582682040 0.85364456625905 0.31249543274864 6.941 > 12 *13 S 0.65918034846381 0.79497851753806 0.82318194129720 32.065 > 13 14 S 0.34081965153619 0.20502148246194 0.32318194129720 32.065 > 14 15 S 0.15918034846381 0.70502148246194 0.82318194129720 32.065 > 15 16 S 0.84081965153619 0.29497851753806 0.32318194129720 32.065 > 16 *17 S 0.31294958327245 0.21497741608825 0.68780934133451 32.065 > 17 18 S 0.68705041672755 0.78502258391175 0.18780934133451 32.065 > 18 *19 S 0.54189030501727 0.36307543602454 0.00985025739231 32.065 > 19 20 S 0.45810969498273 0.63692456397546 0.50985025739231 32.065 > 20 21 S 0.04189030501727 0.13692456397546 0.00985025739231 32.065 > 21 22 S 0.95810969498273 0.86307543602454 0.50985025739231 32.065 > 22 23 S 0.81294958327245 0.28502258391175 0.68780934133451 32.065 > 23 24 S 0.18705041672755 0.71497741608825 0.18780934133451 32.065 > 24 *25 As 0.75025901140113 0.10089041604119 0.49859687286252 74.922 > 25 26 As 0.24974098859887 0.89910958395881 0.99859687286252 74.922 > 26 27 As 0.25025901140113 0.39910958395881 0.49859687286252 74.922 > 27 28 As 0.74974098859887 0.60089041604119 0.99859687286252 74.922 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.842851240000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.258325619999997 0.000000000000000 c 0.000000000000000 0.000000000000000 9.708200109999998 Atomic positions (fractional): *1 Li 0.37447092333536 0.05995835111297 0.11085477869650 6.941 > 1 2 Li 0.87447092333536 0.05995835111297 0.11085477869650 6.941 > 1 3 Li 0.37447092333536 0.55995835111297 0.11085477869650 6.941 > 1 4 Li 0.87447092333536 0.55995835111297 0.11085477869650 6.941 > 1 5 Li 0.12552907666464 0.44004164888703 0.61085477869650 6.941 > 2 6 Li 0.62552907666464 0.44004164888703 0.61085477869650 6.941 > 2 7 Li 0.12552907666464 0.94004164888703 0.61085477869650 6.941 > 2 8 Li 0.62552907666464 0.94004164888703 0.61085477869650 6.941 > 2 9 Li 0.12447092333536 0.19004164888703 0.11085477869650 6.941 > 3 10 Li 0.62447092333536 0.19004164888703 0.11085477869650 6.941 > 3 11 Li 0.12447092333536 0.69004164888703 0.11085477869650 6.941 > 3 12 Li 0.62447092333536 0.69004164888703 0.11085477869650 6.941 > 3 13 Li 0.37552907666464 0.30995835111297 0.61085477869650 6.941 > 4 14 Li 0.87552907666464 0.30995835111297 0.61085477869650 6.941 > 4 15 Li 0.37552907666464 0.80995835111297 0.61085477869650 6.941 > 4 16 Li 0.87552907666464 0.80995835111297 0.61085477869650 6.941 > 4 *17 Li 0.03870208658980 0.17682228312952 0.81249543274864 6.941 > 5 18 Li 0.53870208658980 0.17682228312952 0.81249543274864 6.941 > 5 19 Li 0.03870208658980 0.67682228312952 0.81249543274864 6.941 > 5 20 Li 0.53870208658980 0.67682228312952 0.81249543274864 6.941 > 5 21 Li 0.46129791341020 0.32317771687048 0.31249543274864 6.941 > 6 22 Li 0.96129791341020 0.32317771687048 0.31249543274864 6.941 > 6 23 Li 0.46129791341020 0.82317771687048 0.31249543274864 6.941 > 6 24 Li 0.96129791341020 0.82317771687048 0.31249543274864 6.941 > 6 *25 Li 0.28213359562702 0.22755415371806 0.27791136566831 6.941 > 7 26 Li 0.78213359562702 0.22755415371806 0.27791136566831 6.941 > 7 27 Li 0.28213359562702 0.72755415371806 0.27791136566831 6.941 > 7 28 Li 0.78213359562702 0.72755415371806 0.27791136566831 6.941 > 7 29 Li 0.21786640437298 0.27244584628194 0.77791136566831 6.941 > 8 30 Li 0.71786640437298 0.27244584628194 0.77791136566831 6.941 > 8 31 Li 0.21786640437298 0.77244584628194 0.77791136566831 6.941 > 8 32 Li 0.71786640437298 0.77244584628194 0.77791136566831 6.941 > 8 33 Li 0.03213359562702 0.02244584628194 0.27791136566831 6.941 > 9 34 Li 0.53213359562702 0.02244584628194 0.27791136566831 6.941 > 9 35 Li 0.03213359562702 0.52244584628194 0.27791136566831 6.941 > 9 36 Li 0.53213359562702 0.52244584628194 0.27791136566831 6.941 > 9 37 Li 0.46786640437298 0.47755415371806 0.77791136566831 6.941 > 10 38 Li 0.96786640437298 0.47755415371806 0.77791136566831 6.941 > 10 39 Li 0.46786640437298 0.97755415371806 0.77791136566831 6.941 > 10 40 Li 0.96786640437298 0.97755415371806 0.77791136566831 6.941 > 10 41 Li 0.28870208658980 0.07317771687048 0.81249543274864 6.941 > 11 42 Li 0.78870208658980 0.07317771687048 0.81249543274864 6.941 > 11 43 Li 0.28870208658980 0.57317771687048 0.81249543274864 6.941 > 11 44 Li 0.78870208658980 0.57317771687048 0.81249543274864 6.941 > 11 45 Li 0.21129791341020 0.42682228312952 0.31249543274864 6.941 > 12 46 Li 0.71129791341020 0.42682228312952 0.31249543274864 6.941 > 12 47 Li 0.21129791341020 0.92682228312952 0.31249543274864 6.941 > 12 48 Li 0.71129791341020 0.92682228312952 0.31249543274864 6.941 > 12 *49 S 0.32959017423190 0.39748925876903 0.82318194129720 32.065 > 13 50 S 0.82959017423190 0.39748925876903 0.82318194129720 32.065 > 13 51 S 0.32959017423190 0.89748925876903 0.82318194129720 32.065 > 13 52 S 0.82959017423190 0.89748925876903 0.82318194129720 32.065 > 13 53 S 0.17040982576810 0.10251074123097 0.32318194129720 32.065 > 14 54 S 0.67040982576810 0.10251074123097 0.32318194129720 32.065 > 14 55 S 0.17040982576810 0.60251074123097 0.32318194129720 32.065 > 14 56 S 0.67040982576810 0.60251074123097 0.32318194129720 32.065 > 14 57 S 0.07959017423190 0.35251074123097 0.82318194129720 32.065 > 15 58 S 0.57959017423190 0.35251074123097 0.82318194129720 32.065 > 15 59 S 0.07959017423190 0.85251074123097 0.82318194129720 32.065 > 15 60 S 0.57959017423190 0.85251074123097 0.82318194129720 32.065 > 15 61 S 0.42040982576810 0.14748925876903 0.32318194129720 32.065 > 16 62 S 0.92040982576810 0.14748925876903 0.32318194129720 32.065 > 16 63 S 0.42040982576810 0.64748925876903 0.32318194129720 32.065 > 16 64 S 0.92040982576810 0.64748925876903 0.32318194129720 32.065 > 16 *65 S 0.15647479163622 0.10748870804413 0.68780934133451 32.065 > 17 66 S 0.65647479163622 0.10748870804413 0.68780934133451 32.065 > 17 67 S 0.15647479163622 0.60748870804413 0.68780934133451 32.065 > 17 68 S 0.65647479163622 0.60748870804413 0.68780934133451 32.065 > 17 69 S 0.34352520836378 0.39251129195587 0.18780934133451 32.065 > 18 70 S 0.84352520836378 0.39251129195587 0.18780934133451 32.065 > 18 71 S 0.34352520836378 0.89251129195587 0.18780934133451 32.065 > 18 72 S 0.84352520836378 0.89251129195587 0.18780934133451 32.065 > 18 *73 S 0.27094515250863 0.18153771801227 0.00985025739231 32.065 > 19 74 S 0.77094515250863 0.18153771801227 0.00985025739231 32.065 > 19 75 S 0.27094515250863 0.68153771801227 0.00985025739231 32.065 > 19 76 S 0.77094515250863 0.68153771801227 0.00985025739231 32.065 > 19 77 S 0.22905484749137 0.31846228198773 0.50985025739231 32.065 > 20 78 S 0.72905484749137 0.31846228198773 0.50985025739231 32.065 > 20 79 S 0.22905484749137 0.81846228198773 0.50985025739231 32.065 > 20 80 S 0.72905484749137 0.81846228198773 0.50985025739231 32.065 > 20 81 S 0.02094515250863 0.06846228198773 0.00985025739231 32.065 > 21 82 S 0.52094515250863 0.06846228198773 0.00985025739231 32.065 > 21 83 S 0.02094515250863 0.56846228198773 0.00985025739231 32.065 > 21 84 S 0.52094515250863 0.56846228198773 0.00985025739231 32.065 > 21 85 S 0.47905484749137 0.43153771801227 0.50985025739231 32.065 > 22 86 S 0.97905484749137 0.43153771801227 0.50985025739231 32.065 > 22 87 S 0.47905484749137 0.93153771801227 0.50985025739231 32.065 > 22 88 S 0.97905484749137 0.93153771801227 0.50985025739231 32.065 > 22 89 S 0.40647479163622 0.14251129195587 0.68780934133451 32.065 > 23 90 S 0.90647479163622 0.14251129195587 0.68780934133451 32.065 > 23 91 S 0.40647479163622 0.64251129195587 0.68780934133451 32.065 > 23 92 S 0.90647479163622 0.64251129195587 0.68780934133451 32.065 > 23 93 S 0.09352520836378 0.35748870804413 0.18780934133451 32.065 > 24 94 S 0.59352520836378 0.35748870804413 0.18780934133451 32.065 > 24 95 S 0.09352520836378 0.85748870804413 0.18780934133451 32.065 > 24 96 S 0.59352520836378 0.85748870804413 0.18780934133451 32.065 > 24 *97 As 0.37512950570057 0.05044520802060 0.49859687286252 74.922 > 25 98 As 0.87512950570057 0.05044520802060 0.49859687286252 74.922 > 25 99 As 0.37512950570057 0.55044520802060 0.49859687286252 74.922 > 25 100 As 0.87512950570057 0.55044520802060 0.49859687286252 74.922 > 25 101 As 0.12487049429943 0.44955479197940 0.99859687286252 74.922 > 26 102 As 0.62487049429943 0.44955479197940 0.99859687286252 74.922 > 26 103 As 0.12487049429943 0.94955479197940 0.99859687286252 74.922 > 26 104 As 0.62487049429943 0.94955479197940 0.99859687286252 74.922 > 26 105 As 0.12512950570057 0.19955479197940 0.49859687286252 74.922 > 27 106 As 0.62512950570057 0.19955479197940 0.49859687286252 74.922 > 27 107 As 0.12512950570057 0.69955479197940 0.49859687286252 74.922 > 27 108 As 0.62512950570057 0.69955479197940 0.49859687286252 74.922 > 27 109 As 0.37487049429943 0.30044520802060 0.99859687286252 74.922 > 28 110 As 0.87487049429943 0.30044520802060 0.99859687286252 74.922 > 28 111 As 0.37487049429943 0.80044520802060 0.99859687286252 74.922 > 28 112 As 0.87487049429943 0.80044520802060 0.99859687286252 74.922 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.7455272 0.0000000 0.0000000 0.0000000 5.3590121 0.0000000 0.0000000 0.0000000 5.9992902 -------------------------- Born effective charges -------------------------- 1 Li 1.0068413 0.0351270 -0.0356058 -0.2919296 1.2055327 -0.0497553 0.0614555 0.1904942 1.0397522 2 Li 1.0068413 0.0351270 0.0356058 -0.2919296 1.2055327 0.0497553 -0.0614555 -0.1904942 1.0397522 3 Li 1.0068413 -0.0351270 -0.0356058 0.2919296 1.2055327 0.0497553 0.0614555 -0.1904942 1.0397522 4 Li 1.0068413 -0.0351270 0.0356058 0.2919296 1.2055327 -0.0497553 -0.0614555 0.1904942 1.0397522 5 Li 1.0113945 -0.0426649 -0.0343946 0.3120126 1.1806396 -0.1205260 0.0696293 0.2756606 1.0503208 6 Li 1.0113945 -0.0426649 0.0343946 0.3120126 1.1806396 0.1205260 -0.0696293 -0.2756606 1.0503208 7 Li 1.0928052 -0.0726830 -0.2138347 -0.1564170 0.8651863 -0.2268529 -0.0823075 -0.2836474 1.2925896 8 Li 1.0928052 -0.0726830 0.2138347 -0.1564170 0.8651863 0.2268529 0.0823075 0.2836474 1.2925896 9 Li 1.0928052 0.0726830 -0.2138347 0.1564170 0.8651863 0.2268529 -0.0823075 0.2836474 1.2925896 10 Li 1.0928052 0.0726830 0.2138347 0.1564170 0.8651863 -0.2268529 0.0823075 -0.2836474 1.2925896 11 Li 1.0113945 0.0426649 -0.0343946 -0.3120126 1.1806396 0.1205260 0.0696293 -0.2756606 1.0503208 12 Li 1.0113945 0.0426649 0.0343946 -0.3120126 1.1806396 -0.1205260 -0.0696293 0.2756606 1.0503208 13 S -1.2554922 0.0374960 -0.0089040 0.2436118 -1.7295831 0.5650481 -0.3539972 0.8557150 -2.1994998 14 S -1.2554922 0.0374960 0.0089040 0.2436118 -1.7295831 -0.5650481 0.3539972 -0.8557150 -2.1994998 15 S -1.2554922 -0.0374960 -0.0089040 -0.2436118 -1.7295831 -0.5650481 -0.3539972 -0.8557150 -2.1994998 16 S -1.2554922 -0.0374960 0.0089040 -0.2436118 -1.7295831 0.5650481 0.3539972 0.8557150 -2.1994998 17 S -1.1910921 -0.0090299 -0.0288533 0.3085092 -1.6595473 0.5382801 -0.5077587 0.6839363 -2.2947405 18 S -1.1910921 -0.0090299 0.0288533 0.3085092 -1.6595473 -0.5382801 0.5077587 -0.6839363 -2.2947405 19 S -1.7972341 -0.4428230 -0.0200774 -0.7107878 -1.9382460 0.0389602 -0.0026138 0.0491438 -1.5773834 20 S -1.7972341 -0.4428230 0.0200774 -0.7107878 -1.9382460 -0.0389602 0.0026138 -0.0491438 -1.5773834 21 S -1.7972341 0.4428230 -0.0200774 0.7107878 -1.9382460 -0.0389602 -0.0026138 -0.0491438 -1.5773834 22 S -1.7972341 0.4428230 0.0200774 0.7107878 -1.9382460 0.0389602 0.0026138 0.0491438 -1.5773834 23 S -1.1910921 0.0090299 -0.0288533 -0.3085092 -1.6595473 -0.5382801 -0.5077587 -0.6839363 -2.2947405 24 S -1.1910921 0.0090299 0.0288533 -0.3085092 -1.6595473 0.5382801 0.5077587 0.6839363 -2.2947405 25 As 1.1327774 -0.5068332 -0.0147127 -0.3939466 2.0760177 -0.0768190 -0.0148874 -0.0697558 2.6889611 26 As 1.1327774 -0.5068332 0.0147127 -0.3939466 2.0760177 0.0768190 0.0148874 0.0697558 2.6889611 27 As 1.1327774 0.5068332 -0.0147127 0.3939466 2.0760177 0.0768190 -0.0148874 0.0697558 2.6889611 28 As 1.1327774 0.5068332 0.0147127 0.3939466 2.0760177 -0.0768190 0.0148874 -0.0697558 2.6889611 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3612 Number of blocks in projector: 3612 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 271 eigenvectors found. (1) Complementary block size: 27 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 274 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 420 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 420 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 420 Use standard eigh solver. Tree of FC basis block matrices: - (3612, 3549), data: False |-- (420, 413), data: True |-- (420, 413), data: True |-- (420, 413), data: True |-- (784, 770), data: False |-- (784, 10), data: (784, 24) @ (24, 10) |-- (284, 274), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 13), data: (784, 27) @ (27, 13) |-- (284, 271), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.007 Solver_block: 100 / 880 - Time: 1.543 Solver_block: 200 / 880 - Time: 1.348 Solver_block: 300 / 880 - Time: 1.843 Solver_block: 400 / 880 - Time: 2.286 Solver_block: 500 / 880 - Time: 2.383 Solver_block: 600 / 880 - Time: 3.402 Solver_block: 700 / 880 - Time: 4.062 Solver_block: 800 / 880 - Time: 3.649 Solver_block: 880 / 880 - Time: 1.892 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 23.345 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3612 Number of blocks in projector: 3612 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 271 eigenvectors found. (1) Complementary block size: 27 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 274 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 420 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 420 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 420 Use standard eigh solver. Tree of FC basis block matrices: - (3612, 3549), data: False |-- (420, 413), data: True |-- (420, 413), data: True |-- (420, 413), data: True |-- (784, 770), data: False |-- (784, 10), data: (784, 24) @ (24, 10) |-- (284, 274), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 13), data: (784, 27) @ (27, 13) |-- (284, 271), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 07:14:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:14:31]------------------------- 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): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pna2_1 (33) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.921425620000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.629162809999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.708200109999998 Atomic positions (fractional): 1 Li 0.74894184667073 0.11991670222594 0.11085477869650 6.941 2 Li 0.25105815332927 0.88008329777406 0.61085477869650 6.941 3 Li 0.24894184667073 0.38008329777406 0.11085477869650 6.941 4 Li 0.75105815332927 0.61991670222594 0.61085477869650 6.941 5 Li 0.07740417317960 0.35364456625905 0.81249543274864 6.941 6 Li 0.92259582682040 0.64635543374095 0.31249543274864 6.941 7 Li 0.56426719125403 0.45510830743612 0.27791136566831 6.941 8 Li 0.43573280874597 0.54489169256388 0.77791136566831 6.941 9 Li 0.06426719125403 0.04489169256388 0.27791136566831 6.941 10 Li 0.93573280874597 0.95510830743612 0.77791136566831 6.941 11 Li 0.57740417317960 0.14635543374095 0.81249543274864 6.941 12 Li 0.42259582682040 0.85364456625905 0.31249543274864 6.941 13 S 0.65918034846381 0.79497851753806 0.82318194129720 32.065 14 S 0.34081965153619 0.20502148246194 0.32318194129720 32.065 15 S 0.15918034846381 0.70502148246194 0.82318194129720 32.065 16 S 0.84081965153619 0.29497851753806 0.32318194129720 32.065 17 S 0.31294958327245 0.21497741608825 0.68780934133451 32.065 18 S 0.68705041672755 0.78502258391175 0.18780934133451 32.065 19 S 0.54189030501727 0.36307543602454 0.00985025739231 32.065 20 S 0.45810969498273 0.63692456397546 0.50985025739231 32.065 21 S 0.04189030501727 0.13692456397546 0.00985025739231 32.065 22 S 0.95810969498273 0.86307543602454 0.50985025739231 32.065 23 S 0.81294958327245 0.28502258391175 0.68780934133451 32.065 24 S 0.18705041672755 0.71497741608825 0.18780934133451 32.065 25 As 0.75025901140113 0.10089041604119 0.49859687286252 74.922 26 As 0.24974098859887 0.89910958395881 0.99859687286252 74.922 27 As 0.25025901140113 0.39910958395881 0.49859687286252 74.922 28 As 0.74974098859887 0.60089041604119 0.99859687286252 74.922 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.842851240000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.258325619999997 0.000000000000000 c 0.000000000000000 0.000000000000000 9.708200109999998 Atomic positions (fractional): 1 Li 0.37447092333536 0.05995835111297 0.11085477869650 6.941 > 1 2 Li 0.87447092333536 0.05995835111297 0.11085477869650 6.941 > 1 3 Li 0.37447092333536 0.55995835111297 0.11085477869650 6.941 > 1 4 Li 0.87447092333536 0.55995835111297 0.11085477869650 6.941 > 1 5 Li 0.12552907666464 0.44004164888703 0.61085477869650 6.941 > 5 6 Li 0.62552907666464 0.44004164888703 0.61085477869650 6.941 > 5 7 Li 0.12552907666464 0.94004164888703 0.61085477869650 6.941 > 5 8 Li 0.62552907666464 0.94004164888703 0.61085477869650 6.941 > 5 9 Li 0.12447092333536 0.19004164888703 0.11085477869650 6.941 > 9 10 Li 0.62447092333536 0.19004164888703 0.11085477869650 6.941 > 9 11 Li 0.12447092333536 0.69004164888703 0.11085477869650 6.941 > 9 12 Li 0.62447092333536 0.69004164888703 0.11085477869650 6.941 > 9 13 Li 0.37552907666464 0.30995835111297 0.61085477869650 6.941 > 13 14 Li 0.87552907666464 0.30995835111297 0.61085477869650 6.941 > 13 15 Li 0.37552907666464 0.80995835111297 0.61085477869650 6.941 > 13 16 Li 0.87552907666464 0.80995835111297 0.61085477869650 6.941 > 13 17 Li 0.03870208658980 0.17682228312952 0.81249543274864 6.941 > 17 18 Li 0.53870208658980 0.17682228312952 0.81249543274864 6.941 > 17 19 Li 0.03870208658980 0.67682228312952 0.81249543274864 6.941 > 17 20 Li 0.53870208658980 0.67682228312952 0.81249543274864 6.941 > 17 21 Li 0.46129791341020 0.32317771687048 0.31249543274864 6.941 > 21 22 Li 0.96129791341020 0.32317771687048 0.31249543274864 6.941 > 21 23 Li 0.46129791341020 0.82317771687048 0.31249543274864 6.941 > 21 24 Li 0.96129791341020 0.82317771687048 0.31249543274864 6.941 > 21 25 Li 0.28213359562702 0.22755415371806 0.27791136566831 6.941 > 25 26 Li 0.78213359562702 0.22755415371806 0.27791136566831 6.941 > 25 27 Li 0.28213359562702 0.72755415371806 0.27791136566831 6.941 > 25 28 Li 0.78213359562702 0.72755415371806 0.27791136566831 6.941 > 25 29 Li 0.21786640437298 0.27244584628194 0.77791136566831 6.941 > 29 30 Li 0.71786640437298 0.27244584628194 0.77791136566831 6.941 > 29 31 Li 0.21786640437298 0.77244584628194 0.77791136566831 6.941 > 29 32 Li 0.71786640437298 0.77244584628194 0.77791136566831 6.941 > 29 33 Li 0.03213359562702 0.02244584628194 0.27791136566831 6.941 > 33 34 Li 0.53213359562702 0.02244584628194 0.27791136566831 6.941 > 33 35 Li 0.03213359562702 0.52244584628194 0.27791136566831 6.941 > 33 36 Li 0.53213359562702 0.52244584628194 0.27791136566831 6.941 > 33 37 Li 0.46786640437298 0.47755415371806 0.77791136566831 6.941 > 37 38 Li 0.96786640437298 0.47755415371806 0.77791136566831 6.941 > 37 39 Li 0.46786640437298 0.97755415371806 0.77791136566831 6.941 > 37 40 Li 0.96786640437298 0.97755415371806 0.77791136566831 6.941 > 37 41 Li 0.28870208658980 0.07317771687048 0.81249543274864 6.941 > 41 42 Li 0.78870208658980 0.07317771687048 0.81249543274864 6.941 > 41 43 Li 0.28870208658980 0.57317771687048 0.81249543274864 6.941 > 41 44 Li 0.78870208658980 0.57317771687048 0.81249543274864 6.941 > 41 45 Li 0.21129791341020 0.42682228312952 0.31249543274864 6.941 > 45 46 Li 0.71129791341020 0.42682228312952 0.31249543274864 6.941 > 45 47 Li 0.21129791341020 0.92682228312952 0.31249543274864 6.941 > 45 48 Li 0.71129791341020 0.92682228312952 0.31249543274864 6.941 > 45 49 S 0.32959017423190 0.39748925876903 0.82318194129720 32.065 > 49 50 S 0.82959017423190 0.39748925876903 0.82318194129720 32.065 > 49 51 S 0.32959017423190 0.89748925876903 0.82318194129720 32.065 > 49 52 S 0.82959017423190 0.89748925876903 0.82318194129720 32.065 > 49 53 S 0.17040982576810 0.10251074123097 0.32318194129720 32.065 > 53 54 S 0.67040982576810 0.10251074123097 0.32318194129720 32.065 > 53 55 S 0.17040982576810 0.60251074123097 0.32318194129720 32.065 > 53 56 S 0.67040982576810 0.60251074123097 0.32318194129720 32.065 > 53 57 S 0.07959017423190 0.35251074123097 0.82318194129720 32.065 > 57 58 S 0.57959017423190 0.35251074123097 0.82318194129720 32.065 > 57 59 S 0.07959017423190 0.85251074123097 0.82318194129720 32.065 > 57 60 S 0.57959017423190 0.85251074123097 0.82318194129720 32.065 > 57 61 S 0.42040982576810 0.14748925876903 0.32318194129720 32.065 > 61 62 S 0.92040982576810 0.14748925876903 0.32318194129720 32.065 > 61 63 S 0.42040982576810 0.64748925876903 0.32318194129720 32.065 > 61 64 S 0.92040982576810 0.64748925876903 0.32318194129720 32.065 > 61 65 S 0.15647479163622 0.10748870804413 0.68780934133451 32.065 > 65 66 S 0.65647479163622 0.10748870804413 0.68780934133451 32.065 > 65 67 S 0.15647479163622 0.60748870804413 0.68780934133451 32.065 > 65 68 S 0.65647479163622 0.60748870804413 0.68780934133451 32.065 > 65 69 S 0.34352520836378 0.39251129195587 0.18780934133451 32.065 > 69 70 S 0.84352520836378 0.39251129195587 0.18780934133451 32.065 > 69 71 S 0.34352520836378 0.89251129195587 0.18780934133451 32.065 > 69 72 S 0.84352520836378 0.89251129195587 0.18780934133451 32.065 > 69 73 S 0.27094515250863 0.18153771801227 0.00985025739231 32.065 > 73 74 S 0.77094515250863 0.18153771801227 0.00985025739231 32.065 > 73 75 S 0.27094515250863 0.68153771801227 0.00985025739231 32.065 > 73 76 S 0.77094515250863 0.68153771801227 0.00985025739231 32.065 > 73 77 S 0.22905484749137 0.31846228198773 0.50985025739231 32.065 > 77 78 S 0.72905484749137 0.31846228198773 0.50985025739231 32.065 > 77 79 S 0.22905484749137 0.81846228198773 0.50985025739231 32.065 > 77 80 S 0.72905484749137 0.81846228198773 0.50985025739231 32.065 > 77 81 S 0.02094515250863 0.06846228198773 0.00985025739231 32.065 > 81 82 S 0.52094515250863 0.06846228198773 0.00985025739231 32.065 > 81 83 S 0.02094515250863 0.56846228198773 0.00985025739231 32.065 > 81 84 S 0.52094515250863 0.56846228198773 0.00985025739231 32.065 > 81 85 S 0.47905484749137 0.43153771801227 0.50985025739231 32.065 > 85 86 S 0.97905484749137 0.43153771801227 0.50985025739231 32.065 > 85 87 S 0.47905484749137 0.93153771801227 0.50985025739231 32.065 > 85 88 S 0.97905484749137 0.93153771801227 0.50985025739231 32.065 > 85 89 S 0.40647479163622 0.14251129195587 0.68780934133451 32.065 > 89 90 S 0.90647479163622 0.14251129195587 0.68780934133451 32.065 > 89 91 S 0.40647479163622 0.64251129195587 0.68780934133451 32.065 > 89 92 S 0.90647479163622 0.64251129195587 0.68780934133451 32.065 > 89 93 S 0.09352520836378 0.35748870804413 0.18780934133451 32.065 > 93 94 S 0.59352520836378 0.35748870804413 0.18780934133451 32.065 > 93 95 S 0.09352520836378 0.85748870804413 0.18780934133451 32.065 > 93 96 S 0.59352520836378 0.85748870804413 0.18780934133451 32.065 > 93 97 As 0.37512950570057 0.05044520802060 0.49859687286252 74.922 > 97 98 As 0.87512950570057 0.05044520802060 0.49859687286252 74.922 > 97 99 As 0.37512950570057 0.55044520802060 0.49859687286252 74.922 > 97 100 As 0.87512950570057 0.55044520802060 0.49859687286252 74.922 > 97 101 As 0.12487049429943 0.44955479197940 0.99859687286252 74.922 > 101 102 As 0.62487049429943 0.44955479197940 0.99859687286252 74.922 > 101 103 As 0.12487049429943 0.94955479197940 0.99859687286252 74.922 > 101 104 As 0.62487049429943 0.94955479197940 0.99859687286252 74.922 > 101 105 As 0.12512950570057 0.19955479197940 0.49859687286252 74.922 > 105 106 As 0.62512950570057 0.19955479197940 0.49859687286252 74.922 > 105 107 As 0.12512950570057 0.69955479197940 0.49859687286252 74.922 > 105 108 As 0.62512950570057 0.69955479197940 0.49859687286252 74.922 > 105 109 As 0.37487049429943 0.30044520802060 0.99859687286252 74.922 > 109 110 As 0.87487049429943 0.30044520802060 0.99859687286252 74.922 > 109 111 As 0.37487049429943 0.80044520802060 0.99859687286252 74.922 > 109 112 As 0.87487049429943 0.80044520802060 0.99859687286252 74.922 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.7455272 0.0000000 0.0000000 0.0000000 5.3590121 0.0000000 0.0000000 0.0000000 5.9992902 -------------------------- Born effective charges -------------------------- 1 Li 1.0068413 0.0351270 -0.0356058 -0.2919296 1.2055327 -0.0497553 0.0614555 0.1904942 1.0397522 2 Li 1.0068413 0.0351270 0.0356058 -0.2919296 1.2055327 0.0497553 -0.0614555 -0.1904942 1.0397522 3 Li 1.0068413 -0.0351270 -0.0356058 0.2919296 1.2055327 0.0497553 0.0614555 -0.1904942 1.0397522 4 Li 1.0068413 -0.0351270 0.0356058 0.2919296 1.2055327 -0.0497553 -0.0614555 0.1904942 1.0397522 5 Li 1.0113945 -0.0426649 -0.0343946 0.3120126 1.1806396 -0.1205260 0.0696293 0.2756606 1.0503208 6 Li 1.0113945 -0.0426649 0.0343946 0.3120126 1.1806396 0.1205260 -0.0696293 -0.2756606 1.0503208 7 Li 1.0928052 -0.0726830 -0.2138347 -0.1564170 0.8651863 -0.2268529 -0.0823075 -0.2836474 1.2925896 8 Li 1.0928052 -0.0726830 0.2138347 -0.1564170 0.8651863 0.2268529 0.0823075 0.2836474 1.2925896 9 Li 1.0928052 0.0726830 -0.2138347 0.1564170 0.8651863 0.2268529 -0.0823075 0.2836474 1.2925896 10 Li 1.0928052 0.0726830 0.2138347 0.1564170 0.8651863 -0.2268529 0.0823075 -0.2836474 1.2925896 11 Li 1.0113945 0.0426649 -0.0343946 -0.3120126 1.1806396 0.1205260 0.0696293 -0.2756606 1.0503208 12 Li 1.0113945 0.0426649 0.0343946 -0.3120126 1.1806396 -0.1205260 -0.0696293 0.2756606 1.0503208 13 S -1.2554922 0.0374960 -0.0089040 0.2436118 -1.7295831 0.5650481 -0.3539972 0.8557150 -2.1994998 14 S -1.2554922 0.0374960 0.0089040 0.2436118 -1.7295831 -0.5650481 0.3539972 -0.8557150 -2.1994998 15 S -1.2554922 -0.0374960 -0.0089040 -0.2436118 -1.7295831 -0.5650481 -0.3539972 -0.8557150 -2.1994998 16 S -1.2554922 -0.0374960 0.0089040 -0.2436118 -1.7295831 0.5650481 0.3539972 0.8557150 -2.1994998 17 S -1.1910921 -0.0090299 -0.0288533 0.3085092 -1.6595473 0.5382801 -0.5077587 0.6839363 -2.2947405 18 S -1.1910921 -0.0090299 0.0288533 0.3085092 -1.6595473 -0.5382801 0.5077587 -0.6839363 -2.2947405 19 S -1.7972341 -0.4428230 -0.0200774 -0.7107878 -1.9382460 0.0389602 -0.0026138 0.0491438 -1.5773834 20 S -1.7972341 -0.4428230 0.0200774 -0.7107878 -1.9382460 -0.0389602 0.0026138 -0.0491438 -1.5773834 21 S -1.7972341 0.4428230 -0.0200774 0.7107878 -1.9382460 -0.0389602 -0.0026138 -0.0491438 -1.5773834 22 S -1.7972341 0.4428230 0.0200774 0.7107878 -1.9382460 0.0389602 0.0026138 0.0491438 -1.5773834 23 S -1.1910921 0.0090299 -0.0288533 -0.3085092 -1.6595473 -0.5382801 -0.5077587 -0.6839363 -2.2947405 24 S -1.1910921 0.0090299 0.0288533 -0.3085092 -1.6595473 0.5382801 0.5077587 0.6839363 -2.2947405 25 As 1.1327774 -0.5068332 -0.0147127 -0.3939466 2.0760177 -0.0768190 -0.0148874 -0.0697558 2.6889611 26 As 1.1327774 -0.5068332 0.0147127 -0.3939466 2.0760177 0.0768190 0.0148874 0.0697558 2.6889611 27 As 1.1327774 0.5068332 -0.0147127 0.3939466 2.0760177 0.0768190 -0.0148874 0.0697558 2.6889611 28 As 1.1327774 0.5068332 0.0147127 0.3939466 2.0760177 -0.0768190 0.0148874 -0.0697558 2.6889611 ---------------------------------------------------------------------------- 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[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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[ 73, 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[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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: 0.00000001 (xxx) 0.00000001 (xxx) 0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yz) 0.00000000 (yz) 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 07:15:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:15:07]------------------------- 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): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pna2_1 (33) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.921425620000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.629162809999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.708200109999998 Atomic positions (fractional): 1 Li 0.74894184667073 0.11991670222594 0.11085477869650 6.941 2 Li 0.25105815332927 0.88008329777406 0.61085477869650 6.941 3 Li 0.24894184667073 0.38008329777406 0.11085477869650 6.941 4 Li 0.75105815332927 0.61991670222594 0.61085477869650 6.941 5 Li 0.07740417317960 0.35364456625905 0.81249543274864 6.941 6 Li 0.92259582682040 0.64635543374095 0.31249543274864 6.941 7 Li 0.56426719125403 0.45510830743612 0.27791136566831 6.941 8 Li 0.43573280874597 0.54489169256388 0.77791136566831 6.941 9 Li 0.06426719125403 0.04489169256388 0.27791136566831 6.941 10 Li 0.93573280874597 0.95510830743612 0.77791136566831 6.941 11 Li 0.57740417317960 0.14635543374095 0.81249543274864 6.941 12 Li 0.42259582682040 0.85364456625905 0.31249543274864 6.941 13 S 0.65918034846381 0.79497851753806 0.82318194129720 32.065 14 S 0.34081965153619 0.20502148246194 0.32318194129720 32.065 15 S 0.15918034846381 0.70502148246194 0.82318194129720 32.065 16 S 0.84081965153619 0.29497851753806 0.32318194129720 32.065 17 S 0.31294958327245 0.21497741608825 0.68780934133451 32.065 18 S 0.68705041672755 0.78502258391175 0.18780934133451 32.065 19 S 0.54189030501727 0.36307543602454 0.00985025739231 32.065 20 S 0.45810969498273 0.63692456397546 0.50985025739231 32.065 21 S 0.04189030501727 0.13692456397546 0.00985025739231 32.065 22 S 0.95810969498273 0.86307543602454 0.50985025739231 32.065 23 S 0.81294958327245 0.28502258391175 0.68780934133451 32.065 24 S 0.18705041672755 0.71497741608825 0.18780934133451 32.065 25 As 0.75025901140113 0.10089041604119 0.49859687286252 74.922 26 As 0.24974098859887 0.89910958395881 0.99859687286252 74.922 27 As 0.25025901140113 0.39910958395881 0.49859687286252 74.922 28 As 0.74974098859887 0.60089041604119 0.99859687286252 74.922 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.842851240000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.258325619999997 0.000000000000000 c 0.000000000000000 0.000000000000000 9.708200109999998 Atomic positions (fractional): 1 Li 0.37447092333536 0.05995835111297 0.11085477869650 6.941 > 1 2 Li 0.87447092333536 0.05995835111297 0.11085477869650 6.941 > 1 3 Li 0.37447092333536 0.55995835111297 0.11085477869650 6.941 > 1 4 Li 0.87447092333536 0.55995835111297 0.11085477869650 6.941 > 1 5 Li 0.12552907666464 0.44004164888703 0.61085477869650 6.941 > 5 6 Li 0.62552907666464 0.44004164888703 0.61085477869650 6.941 > 5 7 Li 0.12552907666464 0.94004164888703 0.61085477869650 6.941 > 5 8 Li 0.62552907666464 0.94004164888703 0.61085477869650 6.941 > 5 9 Li 0.12447092333536 0.19004164888703 0.11085477869650 6.941 > 9 10 Li 0.62447092333536 0.19004164888703 0.11085477869650 6.941 > 9 11 Li 0.12447092333536 0.69004164888703 0.11085477869650 6.941 > 9 12 Li 0.62447092333536 0.69004164888703 0.11085477869650 6.941 > 9 13 Li 0.37552907666464 0.30995835111297 0.61085477869650 6.941 > 13 14 Li 0.87552907666464 0.30995835111297 0.61085477869650 6.941 > 13 15 Li 0.37552907666464 0.80995835111297 0.61085477869650 6.941 > 13 16 Li 0.87552907666464 0.80995835111297 0.61085477869650 6.941 > 13 17 Li 0.03870208658980 0.17682228312952 0.81249543274864 6.941 > 17 18 Li 0.53870208658980 0.17682228312952 0.81249543274864 6.941 > 17 19 Li 0.03870208658980 0.67682228312952 0.81249543274864 6.941 > 17 20 Li 0.53870208658980 0.67682228312952 0.81249543274864 6.941 > 17 21 Li 0.46129791341020 0.32317771687048 0.31249543274864 6.941 > 21 22 Li 0.96129791341020 0.32317771687048 0.31249543274864 6.941 > 21 23 Li 0.46129791341020 0.82317771687048 0.31249543274864 6.941 > 21 24 Li 0.96129791341020 0.82317771687048 0.31249543274864 6.941 > 21 25 Li 0.28213359562702 0.22755415371806 0.27791136566831 6.941 > 25 26 Li 0.78213359562702 0.22755415371806 0.27791136566831 6.941 > 25 27 Li 0.28213359562702 0.72755415371806 0.27791136566831 6.941 > 25 28 Li 0.78213359562702 0.72755415371806 0.27791136566831 6.941 > 25 29 Li 0.21786640437298 0.27244584628194 0.77791136566831 6.941 > 29 30 Li 0.71786640437298 0.27244584628194 0.77791136566831 6.941 > 29 31 Li 0.21786640437298 0.77244584628194 0.77791136566831 6.941 > 29 32 Li 0.71786640437298 0.77244584628194 0.77791136566831 6.941 > 29 33 Li 0.03213359562702 0.02244584628194 0.27791136566831 6.941 > 33 34 Li 0.53213359562702 0.02244584628194 0.27791136566831 6.941 > 33 35 Li 0.03213359562702 0.52244584628194 0.27791136566831 6.941 > 33 36 Li 0.53213359562702 0.52244584628194 0.27791136566831 6.941 > 33 37 Li 0.46786640437298 0.47755415371806 0.77791136566831 6.941 > 37 38 Li 0.96786640437298 0.47755415371806 0.77791136566831 6.941 > 37 39 Li 0.46786640437298 0.97755415371806 0.77791136566831 6.941 > 37 40 Li 0.96786640437298 0.97755415371806 0.77791136566831 6.941 > 37 41 Li 0.28870208658980 0.07317771687048 0.81249543274864 6.941 > 41 42 Li 0.78870208658980 0.07317771687048 0.81249543274864 6.941 > 41 43 Li 0.28870208658980 0.57317771687048 0.81249543274864 6.941 > 41 44 Li 0.78870208658980 0.57317771687048 0.81249543274864 6.941 > 41 45 Li 0.21129791341020 0.42682228312952 0.31249543274864 6.941 > 45 46 Li 0.71129791341020 0.42682228312952 0.31249543274864 6.941 > 45 47 Li 0.21129791341020 0.92682228312952 0.31249543274864 6.941 > 45 48 Li 0.71129791341020 0.92682228312952 0.31249543274864 6.941 > 45 49 S 0.32959017423190 0.39748925876903 0.82318194129720 32.065 > 49 50 S 0.82959017423190 0.39748925876903 0.82318194129720 32.065 > 49 51 S 0.32959017423190 0.89748925876903 0.82318194129720 32.065 > 49 52 S 0.82959017423190 0.89748925876903 0.82318194129720 32.065 > 49 53 S 0.17040982576810 0.10251074123097 0.32318194129720 32.065 > 53 54 S 0.67040982576810 0.10251074123097 0.32318194129720 32.065 > 53 55 S 0.17040982576810 0.60251074123097 0.32318194129720 32.065 > 53 56 S 0.67040982576810 0.60251074123097 0.32318194129720 32.065 > 53 57 S 0.07959017423190 0.35251074123097 0.82318194129720 32.065 > 57 58 S 0.57959017423190 0.35251074123097 0.82318194129720 32.065 > 57 59 S 0.07959017423190 0.85251074123097 0.82318194129720 32.065 > 57 60 S 0.57959017423190 0.85251074123097 0.82318194129720 32.065 > 57 61 S 0.42040982576810 0.14748925876903 0.32318194129720 32.065 > 61 62 S 0.92040982576810 0.14748925876903 0.32318194129720 32.065 > 61 63 S 0.42040982576810 0.64748925876903 0.32318194129720 32.065 > 61 64 S 0.92040982576810 0.64748925876903 0.32318194129720 32.065 > 61 65 S 0.15647479163622 0.10748870804413 0.68780934133451 32.065 > 65 66 S 0.65647479163622 0.10748870804413 0.68780934133451 32.065 > 65 67 S 0.15647479163622 0.60748870804413 0.68780934133451 32.065 > 65 68 S 0.65647479163622 0.60748870804413 0.68780934133451 32.065 > 65 69 S 0.34352520836378 0.39251129195587 0.18780934133451 32.065 > 69 70 S 0.84352520836378 0.39251129195587 0.18780934133451 32.065 > 69 71 S 0.34352520836378 0.89251129195587 0.18780934133451 32.065 > 69 72 S 0.84352520836378 0.89251129195587 0.18780934133451 32.065 > 69 73 S 0.27094515250863 0.18153771801227 0.00985025739231 32.065 > 73 74 S 0.77094515250863 0.18153771801227 0.00985025739231 32.065 > 73 75 S 0.27094515250863 0.68153771801227 0.00985025739231 32.065 > 73 76 S 0.77094515250863 0.68153771801227 0.00985025739231 32.065 > 73 77 S 0.22905484749137 0.31846228198773 0.50985025739231 32.065 > 77 78 S 0.72905484749137 0.31846228198773 0.50985025739231 32.065 > 77 79 S 0.22905484749137 0.81846228198773 0.50985025739231 32.065 > 77 80 S 0.72905484749137 0.81846228198773 0.50985025739231 32.065 > 77 81 S 0.02094515250863 0.06846228198773 0.00985025739231 32.065 > 81 82 S 0.52094515250863 0.06846228198773 0.00985025739231 32.065 > 81 83 S 0.02094515250863 0.56846228198773 0.00985025739231 32.065 > 81 84 S 0.52094515250863 0.56846228198773 0.00985025739231 32.065 > 81 85 S 0.47905484749137 0.43153771801227 0.50985025739231 32.065 > 85 86 S 0.97905484749137 0.43153771801227 0.50985025739231 32.065 > 85 87 S 0.47905484749137 0.93153771801227 0.50985025739231 32.065 > 85 88 S 0.97905484749137 0.93153771801227 0.50985025739231 32.065 > 85 89 S 0.40647479163622 0.14251129195587 0.68780934133451 32.065 > 89 90 S 0.90647479163622 0.14251129195587 0.68780934133451 32.065 > 89 91 S 0.40647479163622 0.64251129195587 0.68780934133451 32.065 > 89 92 S 0.90647479163622 0.64251129195587 0.68780934133451 32.065 > 89 93 S 0.09352520836378 0.35748870804413 0.18780934133451 32.065 > 93 94 S 0.59352520836378 0.35748870804413 0.18780934133451 32.065 > 93 95 S 0.09352520836378 0.85748870804413 0.18780934133451 32.065 > 93 96 S 0.59352520836378 0.85748870804413 0.18780934133451 32.065 > 93 97 As 0.37512950570057 0.05044520802060 0.49859687286252 74.922 > 97 98 As 0.87512950570057 0.05044520802060 0.49859687286252 74.922 > 97 99 As 0.37512950570057 0.55044520802060 0.49859687286252 74.922 > 97 100 As 0.87512950570057 0.55044520802060 0.49859687286252 74.922 > 97 101 As 0.12487049429943 0.44955479197940 0.99859687286252 74.922 > 101 102 As 0.62487049429943 0.44955479197940 0.99859687286252 74.922 > 101 103 As 0.12487049429943 0.94955479197940 0.99859687286252 74.922 > 101 104 As 0.62487049429943 0.94955479197940 0.99859687286252 74.922 > 101 105 As 0.12512950570057 0.19955479197940 0.49859687286252 74.922 > 105 106 As 0.62512950570057 0.19955479197940 0.49859687286252 74.922 > 105 107 As 0.12512950570057 0.69955479197940 0.49859687286252 74.922 > 105 108 As 0.62512950570057 0.69955479197940 0.49859687286252 74.922 > 105 109 As 0.37487049429943 0.30044520802060 0.99859687286252 74.922 > 109 110 As 0.87487049429943 0.30044520802060 0.99859687286252 74.922 > 109 111 As 0.37487049429943 0.80044520802060 0.99859687286252 74.922 > 109 112 As 0.87487049429943 0.80044520802060 0.99859687286252 74.922 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.7455272 0.0000000 0.0000000 0.0000000 5.3590121 0.0000000 0.0000000 0.0000000 5.9992902 -------------------------- Born effective charges -------------------------- 1 Li 1.0068413 0.0351270 -0.0356058 -0.2919296 1.2055327 -0.0497553 0.0614555 0.1904942 1.0397522 2 Li 1.0068413 0.0351270 0.0356058 -0.2919296 1.2055327 0.0497553 -0.0614555 -0.1904942 1.0397522 3 Li 1.0068413 -0.0351270 -0.0356058 0.2919296 1.2055327 0.0497553 0.0614555 -0.1904942 1.0397522 4 Li 1.0068413 -0.0351270 0.0356058 0.2919296 1.2055327 -0.0497553 -0.0614555 0.1904942 1.0397522 5 Li 1.0113945 -0.0426649 -0.0343946 0.3120126 1.1806396 -0.1205260 0.0696293 0.2756606 1.0503208 6 Li 1.0113945 -0.0426649 0.0343946 0.3120126 1.1806396 0.1205260 -0.0696293 -0.2756606 1.0503208 7 Li 1.0928052 -0.0726830 -0.2138347 -0.1564170 0.8651863 -0.2268529 -0.0823075 -0.2836474 1.2925896 8 Li 1.0928052 -0.0726830 0.2138347 -0.1564170 0.8651863 0.2268529 0.0823075 0.2836474 1.2925896 9 Li 1.0928052 0.0726830 -0.2138347 0.1564170 0.8651863 0.2268529 -0.0823075 0.2836474 1.2925896 10 Li 1.0928052 0.0726830 0.2138347 0.1564170 0.8651863 -0.2268529 0.0823075 -0.2836474 1.2925896 11 Li 1.0113945 0.0426649 -0.0343946 -0.3120126 1.1806396 0.1205260 0.0696293 -0.2756606 1.0503208 12 Li 1.0113945 0.0426649 0.0343946 -0.3120126 1.1806396 -0.1205260 -0.0696293 0.2756606 1.0503208 13 S -1.2554922 0.0374960 -0.0089040 0.2436118 -1.7295831 0.5650481 -0.3539972 0.8557150 -2.1994998 14 S -1.2554922 0.0374960 0.0089040 0.2436118 -1.7295831 -0.5650481 0.3539972 -0.8557150 -2.1994998 15 S -1.2554922 -0.0374960 -0.0089040 -0.2436118 -1.7295831 -0.5650481 -0.3539972 -0.8557150 -2.1994998 16 S -1.2554922 -0.0374960 0.0089040 -0.2436118 -1.7295831 0.5650481 0.3539972 0.8557150 -2.1994998 17 S -1.1910921 -0.0090299 -0.0288533 0.3085092 -1.6595473 0.5382801 -0.5077587 0.6839363 -2.2947405 18 S -1.1910921 -0.0090299 0.0288533 0.3085092 -1.6595473 -0.5382801 0.5077587 -0.6839363 -2.2947405 19 S -1.7972341 -0.4428230 -0.0200774 -0.7107878 -1.9382460 0.0389602 -0.0026138 0.0491438 -1.5773834 20 S -1.7972341 -0.4428230 0.0200774 -0.7107878 -1.9382460 -0.0389602 0.0026138 -0.0491438 -1.5773834 21 S -1.7972341 0.4428230 -0.0200774 0.7107878 -1.9382460 -0.0389602 -0.0026138 -0.0491438 -1.5773834 22 S -1.7972341 0.4428230 0.0200774 0.7107878 -1.9382460 0.0389602 0.0026138 0.0491438 -1.5773834 23 S -1.1910921 0.0090299 -0.0288533 -0.3085092 -1.6595473 -0.5382801 -0.5077587 -0.6839363 -2.2947405 24 S -1.1910921 0.0090299 0.0288533 -0.3085092 -1.6595473 0.5382801 0.5077587 0.6839363 -2.2947405 25 As 1.1327774 -0.5068332 -0.0147127 -0.3939466 2.0760177 -0.0768190 -0.0148874 -0.0697558 2.6889611 26 As 1.1327774 -0.5068332 0.0147127 -0.3939466 2.0760177 0.0768190 0.0148874 0.0697558 2.6889611 27 As 1.1327774 0.5068332 -0.0147127 0.3939466 2.0760177 0.0768190 -0.0148874 0.0697558 2.6889611 28 As 1.1327774 0.5068332 0.0147127 0.3939466 2.0760177 -0.0768190 0.0148874 -0.0697558 2.6889611 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (xxx) 0.00000001 (xxx) 0.00000001 (xxx) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 8 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.52, Number of G-points: 305, Lambda: 0.13 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: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 1.386 ( 0.000 0.000 0.000) 0.000 2.035 ( 0.000 0.000 0.000) 0.000 2.246 ( 0.000 0.000 0.000) 0.000 2.295 ( 0.000 0.000 0.000) 0.000 2.381 ( 0.000 0.000 0.000) 0.000 2.395 ( 0.000 0.000 0.000) 0.000 2.407 ( 0.000 0.000 0.000) 0.000 2.421 ( 0.000 0.000 -0.000) 0.000 2.466 ( 0.000 0.000 0.000) 0.000 2.476 ( 0.000 0.000 0.000) 0.000 2.794 ( 0.000 0.000 0.000) 0.000 2.983 ( 0.000 0.000 -0.000) 0.000 3.042 ( 0.000 0.000 0.000) 0.000 3.401 ( 0.000 0.000 0.000) 0.000 3.681 ( 0.000 0.000 -0.000) 0.000 3.706 ( 0.000 0.000 -0.000) 0.000 3.977 ( 0.000 0.000 0.000) 0.000 3.988 ( 0.000 0.000 0.000) 0.000 4.568 ( 0.000 0.000 0.000) 0.000 4.656 ( 0.000 0.000 0.000) 0.000 4.922 ( 0.000 0.000 0.000) 0.000 4.928 ( 0.000 0.000 -0.000) 0.000 5.054 ( 0.000 0.000 0.000) 0.000 5.185 ( 0.000 0.000 0.000) 0.000 5.269 ( 0.000 0.000 0.000) 0.000 5.318 ( 0.000 0.000 -0.000) 0.000 5.481 ( 0.000 0.000 0.000) 0.000 5.509 ( 0.000 0.000 0.000) 0.000 5.527 ( 0.000 0.000 0.000) 0.000 5.619 ( 0.000 0.000 -0.000) 0.000 5.629 ( 0.000 0.000 0.000) 0.000 5.824 ( 0.000 0.000 0.000) 0.000 5.850 ( 0.000 0.000 0.000) 0.000 6.190 ( 0.000 0.000 0.000) 0.000 6.446 ( 0.000 0.000 0.000) 0.000 6.597 ( 0.000 0.000 -0.000) 0.000 6.919 ( 0.000 0.000 0.000) 0.000 7.465 ( 0.000 0.000 0.000) 0.000 7.721 ( 0.000 0.000 0.000) 0.000 7.810 ( 0.000 0.000 0.000) 0.000 8.301 ( 0.000 0.000 0.000) 0.000 8.585 ( 0.000 0.000 0.000) 0.000 8.607 ( 0.000 0.000 0.000) 0.000 8.648 ( 0.000 0.000 0.000) 0.000 8.649 ( 0.000 0.000 -0.000) 0.000 8.747 ( 0.000 0.000 -0.000) 0.000 8.917 ( 0.000 0.000 0.000) 0.000 9.060 ( 0.000 0.000 -0.000) 0.000 9.141 ( 0.000 0.000 0.000) 0.000 9.322 ( 0.000 0.000 0.000) 0.000 9.365 ( 0.000 0.000 0.000) 0.000 9.653 ( 0.000 0.000 0.000) 0.000 9.689 ( 0.000 0.000 0.000) 0.000 9.818 ( 0.000 0.000 0.000) 0.000 9.828 ( 0.000 0.000 -0.000) 0.000 9.883 ( 0.000 0.000 -0.000) 0.000 9.961 ( 0.000 0.000 0.000) 0.000 10.034 ( 0.000 0.000 -0.000) 0.000 10.263 ( 0.000 0.000 -0.000) 0.000 10.272 ( 0.000 0.000 0.000) 0.000 10.405 ( 0.000 0.000 0.000) 0.000 10.527 ( 0.000 0.000 0.000) 0.000 10.558 ( 0.000 0.000 0.000) 0.000 10.569 ( 0.000 0.000 0.000) 0.000 10.834 ( 0.000 0.000 0.000) 0.000 10.949 ( 0.000 0.000 0.000) 0.000 11.039 ( 0.000 0.000 0.000) 0.000 11.212 ( 0.000 0.000 0.000) 0.000 11.221 ( 0.000 0.000 0.000) 0.000 11.466 ( 0.000 0.000 0.000) 0.000 11.530 ( 0.000 0.000 0.000) 0.000 11.596 ( 0.000 0.000 -0.000) 0.000 11.602 ( 0.000 0.000 0.000) 0.000 11.630 ( 0.000 0.000 0.000) 0.000 12.001 ( 0.000 0.000 0.000) 0.000 12.023 ( 0.000 0.000 0.000) 0.000 12.098 ( 0.000 0.000 0.000) 0.000 12.257 ( 0.000 0.000 0.000) 0.000 12.274 ( 0.000 0.000 0.000) 0.000 12.432 ( 0.000 0.000 0.000) 0.000 12.597 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.412 ( 19.170 0.000 0.000) 19.170 0.504 ( 23.157 0.000 0.000) 23.157 0.777 ( 34.583 0.000 0.000) 34.583 1.428 ( 2.683 0.000 0.000) 2.683 1.931 ( -8.739 0.000 0.000) 8.739 2.278 ( 1.675 0.000 0.000) 1.675 2.313 ( 6.112 0.000 0.000) 6.112 2.389 ( -1.293 0.000 0.000) 1.293 2.398 ( 3.675 0.000 0.000) 3.675 2.433 ( -1.299 0.000 0.000) 1.299 2.451 ( 1.768 0.000 0.000) 1.768 2.487 ( 4.106 0.000 0.000) 4.106 2.692 ( 15.689 0.000 0.000) 15.689 2.769 ( -2.409 0.000 0.000) 2.409 2.945 ( -3.227 0.000 0.000) 3.227 3.025 ( -1.140 0.000 0.000) 1.140 3.387 ( -1.746 0.000 0.000) 1.746 3.625 ( -7.157 0.000 0.000) 7.157 3.694 ( -0.967 0.000 0.000) 0.967 3.967 ( -2.016 0.000 0.000) 2.016 4.000 ( 1.840 0.000 0.000) 1.840 4.548 ( -2.104 0.000 0.000) 2.104 4.589 ( -6.226 0.000 0.000) 6.226 4.795 ( -7.045 0.000 0.000) 7.045 4.986 ( -3.070 0.000 0.000) 3.070 5.024 ( 2.398 0.000 0.000) 2.398 5.255 ( -1.180 0.000 0.000) 1.180 5.266 ( 5.089 0.000 0.000) 5.089 5.377 ( 4.192 0.000 0.000) 4.192 5.502 ( 2.584 0.000 0.000) 2.584 5.550 ( -0.494 0.000 0.000) 0.494 5.581 ( 7.366 0.000 0.000) 7.366 5.582 ( -0.603 0.000 0.000) 0.603 5.730 ( 6.978 0.000 0.000) 6.978 5.866 ( 2.037 0.000 0.000) 2.037 5.895 ( 5.701 0.000 0.000) 5.701 6.133 ( -5.095 0.000 0.000) 5.095 6.434 ( -2.256 0.000 0.000) 2.256 6.586 ( -1.357 0.000 0.000) 1.357 6.806 ( -10.177 0.000 0.000) 10.177 7.477 ( 1.323 0.000 0.000) 1.323 7.814 ( -0.146 0.000 0.000) 0.146 7.969 ( 1.822 0.000 0.000) 1.822 8.266 ( -3.018 0.000 0.000) 3.018 8.520 ( -4.539 0.000 0.000) 4.539 8.541 ( -4.472 0.000 0.000) 4.472 8.626 ( -2.677 0.000 0.000) 2.677 8.647 ( -0.632 0.000 0.000) 0.632 8.820 ( 5.158 0.000 0.000) 5.158 8.933 ( 1.163 0.000 0.000) 1.163 9.135 ( 6.222 0.000 0.000) 6.222 9.200 ( -2.751 0.000 0.000) 2.751 9.356 ( -0.430 0.000 0.000) 0.430 9.357 ( 2.572 0.000 0.000) 2.572 9.632 ( -0.734 0.000 0.000) 0.734 9.736 ( 0.779 0.000 0.000) 0.779 9.749 ( -2.372 0.000 0.000) 2.372 9.835 ( -3.845 0.000 0.000) 3.845 9.951 ( -1.540 0.000 0.000) 1.540 9.969 ( 5.282 0.000 0.000) 5.282 10.064 ( 2.076 0.000 0.000) 2.076 10.314 ( 4.612 0.000 0.000) 4.612 10.344 ( -6.939 0.000 0.000) 6.939 10.425 ( -4.674 0.000 0.000) 4.674 10.443 ( -6.935 0.000 0.000) 6.935 10.588 ( -2.187 0.000 0.000) 2.187 10.872 ( -4.734 0.000 0.000) 4.734 10.880 ( 6.998 0.000 0.000) 6.998 11.116 ( 7.384 0.000 0.000) 7.384 11.183 ( -3.780 0.000 0.000) 3.780 11.283 ( 4.032 0.000 0.000) 4.032 11.421 ( -2.855 0.000 0.000) 2.855 11.524 ( -1.053 0.000 0.000) 1.053 11.593 ( -2.562 0.000 0.000) 2.562 11.619 ( 1.699 0.000 0.000) 1.699 11.657 ( 6.199 0.000 0.000) 6.199 11.713 ( 4.108 0.000 0.000) 4.108 11.999 ( -3.575 0.000 0.000) 3.575 12.010 ( 0.829 0.000 0.000) 0.829 12.201 ( -2.274 0.000 0.000) 2.274 12.245 ( -1.181 0.000 0.000) 1.181 12.265 ( -0.881 0.000 0.000) 0.881 12.605 ( 0.757 0.000 0.000) 0.757 12.838 ( -2.672 0.000 0.000) 2.672 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( 16.794 0.000 0.000) 16.794 0.952 ( 18.496 0.000 0.000) 18.496 1.304 ( 5.911 0.000 0.000) 5.911 1.555 ( 18.396 0.000 0.000) 18.396 1.702 ( -12.657 0.000 0.000) 12.657 2.275 ( -9.448 0.000 0.000) 9.448 2.354 ( 3.476 0.000 0.000) 3.476 2.407 ( -0.841 0.000 0.000) 0.841 2.466 ( 4.001 0.000 0.000) 4.001 2.487 ( 8.933 0.000 0.000) 8.933 2.578 ( 9.137 0.000 0.000) 9.137 2.602 ( 5.234 0.000 0.000) 5.234 2.689 ( -5.218 0.000 0.000) 5.218 2.862 ( -4.630 0.000 0.000) 4.630 2.989 ( 9.119 0.000 0.000) 9.119 3.039 ( 5.535 0.000 0.000) 5.535 3.298 ( -7.116 0.000 0.000) 7.116 3.442 ( -9.372 0.000 0.000) 9.372 3.699 ( 2.507 0.000 0.000) 2.507 3.904 ( -3.999 0.000 0.000) 3.999 4.061 ( 3.960 0.000 0.000) 3.960 4.383 ( -10.707 0.000 0.000) 10.707 4.530 ( -0.488 0.000 0.000) 0.488 4.653 ( -6.060 0.000 0.000) 6.060 4.969 ( 1.116 0.000 0.000) 1.116 5.042 ( -0.487 0.000 0.000) 0.487 5.242 ( 0.677 0.000 0.000) 0.677 5.361 ( 2.981 0.000 0.000) 2.981 5.452 ( -5.132 0.000 0.000) 5.132 5.452 ( 1.745 0.000 0.000) 1.745 5.618 ( 7.792 0.000 0.000) 7.792 5.658 ( 4.816 0.000 0.000) 4.816 5.795 ( 6.320 0.000 0.000) 6.320 5.821 ( 8.150 0.000 0.000) 8.150 5.982 ( 7.600 0.000 0.000) 7.600 5.993 ( -7.794 0.000 0.000) 7.794 6.017 ( 4.946 0.000 0.000) 4.946 6.391 ( -1.006 0.000 0.000) 1.006 6.509 ( -11.821 0.000 0.000) 11.821 6.541 ( -8.399 0.000 0.000) 8.399 7.532 ( 4.105 0.000 0.000) 4.105 7.773 ( -4.260 0.000 0.000) 4.260 8.026 ( 3.561 0.000 0.000) 3.561 8.191 ( -3.737 0.000 0.000) 3.737 8.434 ( -3.257 0.000 0.000) 3.257 8.451 ( -3.797 0.000 0.000) 3.797 8.574 ( -1.127 0.000 0.000) 1.127 8.625 ( -1.459 0.000 0.000) 1.459 8.916 ( 3.167 0.000 0.000) 3.167 8.947 ( 0.097 0.000 0.000) 0.097 9.155 ( -0.718 0.000 0.000) 0.718 9.229 ( -0.002 0.000 0.000) 0.002 9.420 ( 3.488 0.000 0.000) 3.488 9.424 ( 9.284 0.000 0.000) 9.284 9.601 ( -3.646 0.000 0.000) 3.646 9.671 ( -0.675 0.000 0.000) 0.675 9.755 ( -3.465 0.000 0.000) 3.465 9.808 ( 3.230 0.000 0.000) 3.230 9.890 ( -4.800 0.000 0.000) 4.800 10.038 ( -8.518 0.000 0.000) 8.518 10.086 ( 5.423 0.000 0.000) 5.423 10.172 ( -2.337 0.000 0.000) 2.337 10.333 ( -3.137 0.000 0.000) 3.137 10.354 ( -3.333 0.000 0.000) 3.333 10.470 ( 9.424 0.000 0.000) 9.424 10.554 ( 0.659 0.000 0.000) 0.659 10.751 ( -6.425 0.000 0.000) 6.425 11.001 ( -11.971 0.000 0.000) 11.971 11.086 ( 10.944 0.000 0.000) 10.944 11.259 ( 4.509 0.000 0.000) 4.509 11.333 ( 1.067 0.000 0.000) 1.067 11.392 ( 0.191 0.000 0.000) 0.191 11.486 ( -2.385 0.000 0.000) 2.385 11.505 ( -5.936 0.000 0.000) 5.936 11.666 ( 2.676 0.000 0.000) 2.676 11.767 ( -0.154 0.000 0.000) 0.154 11.830 ( 8.759 0.000 0.000) 8.759 11.954 ( 0.586 0.000 0.000) 0.586 12.033 ( 1.269 0.000 0.000) 1.269 12.142 ( -3.271 0.000 0.000) 3.271 12.211 ( -1.772 0.000 0.000) 1.772 12.234 ( -2.005 0.000 0.000) 2.005 12.633 ( 1.984 0.000 0.000) 1.984 12.767 ( -3.784 0.000 0.000) 3.784 ======================= Grid point 3 (4/60) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( -9.072 0.000 0.000) 9.072 1.087 ( 9.072 0.000 0.000) 9.072 1.414 ( -13.338 0.000 0.000) 13.338 1.414 ( 13.338 0.000 0.000) 13.338 1.990 ( -17.843 0.000 0.000) 17.843 1.990 ( 17.843 0.000 0.000) 17.843 2.392 ( -0.758 0.000 0.000) 0.758 2.392 ( 0.758 0.000 0.000) 0.758 2.565 ( -5.834 0.000 0.000) 5.834 2.565 ( 5.834 0.000 0.000) 5.834 2.652 ( -2.392 0.000 0.000) 2.392 2.652 ( 2.392 0.000 0.000) 2.392 2.737 ( -7.078 0.000 0.000) 7.078 2.737 ( 7.078 0.000 0.000) 7.078 3.127 ( -7.641 0.000 0.000) 7.641 3.127 ( 7.641 0.000 0.000) 7.641 3.236 ( -10.135 0.000 0.000) 10.135 3.236 ( 10.135 0.000 0.000) 10.135 3.799 ( -5.748 0.000 0.000) 5.748 3.799 ( 5.748 0.000 0.000) 5.748 4.180 ( -7.749 0.000 0.000) 7.749 4.180 ( 7.749 0.000 0.000) 7.749 4.555 ( -3.000 0.000 0.000) 3.000 4.555 ( 3.000 0.000 0.000) 3.000 5.010 ( -2.201 0.000 0.000) 2.201 5.010 ( 2.201 0.000 0.000) 2.201 5.303 ( -4.831 0.000 0.000) 4.831 5.303 ( 4.831 0.000 0.000) 4.831 5.450 ( -1.694 0.000 0.000) 1.694 5.450 ( 1.694 0.000 0.000) 1.694 5.739 ( -0.966 0.000 0.000) 0.966 5.739 ( 0.966 0.000 0.000) 0.966 5.827 ( -6.254 0.000 0.000) 6.254 5.827 ( 6.254 0.000 0.000) 6.254 6.069 ( -1.332 0.000 0.000) 1.332 6.069 ( 1.332 0.000 0.000) 1.332 6.163 ( -16.635 0.000 0.000) 16.635 6.163 ( 16.635 0.000 0.000) 16.635 6.428 ( -4.508 0.000 0.000) 4.508 6.428 ( 4.508 0.000 0.000) 4.508 7.649 ( -6.571 0.000 0.000) 6.571 7.649 ( 6.571 0.000 0.000) 6.571 8.110 ( -4.089 0.000 0.000) 4.089 8.110 ( 4.089 0.000 0.000) 4.089 8.401 ( -0.458 0.000 0.000) 0.458 8.401 ( 0.458 0.000 0.000) 0.458 8.588 ( -1.810 0.000 0.000) 1.810 8.588 ( 1.810 0.000 0.000) 1.810 8.945 ( -0.226 0.000 0.000) 0.226 8.945 ( 0.226 0.000 0.000) 0.226 9.184 ( -2.784 0.000 0.000) 2.784 9.184 ( 2.784 0.000 0.000) 2.784 9.505 ( -4.578 0.000 0.000) 4.578 9.505 ( 4.578 0.000 0.000) 4.578 9.684 ( -12.841 0.000 0.000) 12.841 9.684 ( 12.841 0.000 0.000) 12.841 9.695 ( -2.856 0.000 0.000) 2.856 9.695 ( 2.856 0.000 0.000) 2.856 9.884 ( -4.368 0.000 0.000) 4.368 9.884 ( 4.368 0.000 0.000) 4.368 10.166 ( -1.353 0.000 0.000) 1.353 10.166 ( 1.353 0.000 0.000) 1.353 10.300 ( -0.833 0.000 0.000) 0.833 10.300 ( 0.833 0.000 0.000) 0.833 10.622 ( -5.261 0.000 0.000) 5.261 10.622 ( 5.261 0.000 0.000) 5.261 10.719 ( -13.605 0.000 0.000) 13.605 10.719 ( 13.605 0.000 0.000) 13.605 11.282 ( -4.716 0.000 0.000) 4.716 11.282 ( 4.716 0.000 0.000) 4.716 11.359 ( -3.658 0.000 0.000) 3.658 11.359 ( 3.658 0.000 0.000) 3.658 11.433 ( -2.159 0.000 0.000) 2.159 11.433 ( 2.159 0.000 0.000) 2.159 11.726 ( -2.799 0.000 0.000) 2.799 11.726 ( 2.799 0.000 0.000) 2.799 11.964 ( -2.417 0.000 0.000) 2.417 11.964 ( 2.417 0.000 0.000) 2.417 12.069 ( -2.866 0.000 0.000) 2.866 12.069 ( 2.866 0.000 0.000) 2.866 12.196 ( -0.894 0.000 0.000) 0.894 12.196 ( 0.894 0.000 0.000) 0.894 12.689 ( -3.345 0.000 0.000) 3.345 12.689 ( 3.345 0.000 0.000) 3.345 ======================= Grid point 7 (5/60) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.369 ( 0.000 19.430 0.000) 19.430 0.451 ( 0.000 23.322 0.000) 23.322 0.998 ( 0.000 50.277 0.000) 50.277 1.485 ( 0.000 9.580 0.000) 9.580 2.002 ( 0.000 -3.273 0.000) 3.273 2.181 ( 0.000 -8.565 0.000) 8.565 2.283 ( 0.000 -2.058 0.000) 2.058 2.325 ( 0.000 2.112 0.000) 2.112 2.367 ( 0.000 -1.053 0.000) 1.053 2.440 ( 0.000 0.584 0.000) 0.584 2.500 ( 0.000 3.670 0.000) 3.670 2.512 ( 0.000 6.259 0.000) 6.259 2.546 ( 0.000 6.668 0.000) 6.668 2.747 ( 0.000 -2.859 0.000) 2.859 2.998 ( 0.000 1.281 0.000) 1.281 3.161 ( 0.000 9.497 0.000) 9.497 3.395 ( 0.000 -0.365 0.000) 0.365 3.630 ( 0.000 -4.379 0.000) 4.379 3.737 ( 0.000 1.744 0.000) 1.744 3.884 ( 0.000 -7.358 0.000) 7.358 4.002 ( 0.000 0.383 0.000) 0.383 4.540 ( 0.000 -12.050 0.000) 12.050 4.613 ( 0.000 -1.213 0.000) 1.213 4.746 ( 0.000 -8.465 0.000) 8.465 4.903 ( 0.000 -4.052 0.000) 4.052 5.069 ( 0.000 0.747 0.000) 0.747 5.205 ( 0.000 -2.808 0.000) 2.808 5.236 ( 0.000 -2.778 0.000) 2.778 5.407 ( 0.000 -7.286 0.000) 7.286 5.451 ( 0.000 8.372 0.000) 8.372 5.524 ( 0.000 2.581 0.000) 2.581 5.537 ( 0.000 -4.515 0.000) 4.515 5.549 ( 0.000 2.568 0.000) 2.568 5.774 ( 0.000 14.271 0.000) 14.271 5.844 ( 0.000 -0.467 0.000) 0.467 5.917 ( 0.000 5.138 0.000) 5.138 6.254 ( 0.000 2.621 0.000) 2.621 6.389 ( 0.000 -5.306 0.000) 5.306 6.575 ( 0.000 -2.672 0.000) 2.672 6.894 ( 0.000 -2.287 0.000) 2.287 7.455 ( 0.000 -0.624 0.000) 0.624 7.745 ( 0.000 2.481 0.000) 2.481 7.901 ( 0.000 4.818 0.000) 4.818 8.245 ( 0.000 -6.568 0.000) 6.568 8.476 ( 0.000 -4.959 0.000) 4.959 8.632 ( 0.000 -2.170 0.000) 2.170 8.726 ( 0.000 -0.541 0.000) 0.541 8.775 ( 0.000 7.243 0.000) 7.243 8.839 ( 0.000 3.080 0.000) 3.080 8.910 ( 0.000 -0.734 0.000) 0.734 9.104 ( 0.000 -2.732 0.000) 2.732 9.158 ( 0.000 1.881 0.000) 1.881 9.312 ( 0.000 -4.956 0.000) 4.956 9.333 ( 0.000 1.174 0.000) 1.174 9.657 ( 0.000 -2.596 0.000) 2.596 9.676 ( 0.000 0.023 0.000) 0.023 9.801 ( 0.000 -1.842 0.000) 1.842 9.851 ( 0.000 2.120 0.000) 2.120 9.958 ( 0.000 -0.630 0.000) 0.630 9.987 ( 0.000 -1.136 0.000) 1.136 10.049 ( 0.000 0.675 0.000) 0.675 10.197 ( 0.000 -6.317 0.000) 6.317 10.296 ( 0.000 -2.214 0.000) 2.214 10.401 ( 0.000 0.530 0.000) 0.530 10.630 ( 0.000 4.340 0.000) 4.340 10.641 ( 0.000 8.560 0.000) 8.560 10.771 ( 0.000 -0.661 0.000) 0.661 10.822 ( 0.000 -6.785 0.000) 6.785 10.944 ( 0.000 -0.559 0.000) 0.559 11.050 ( 0.000 -0.228 0.000) 0.228 11.144 ( 0.000 -6.395 0.000) 6.395 11.183 ( 0.000 -2.219 0.000) 2.219 11.479 ( 0.000 1.336 0.000) 1.336 11.555 ( 0.000 -3.602 0.000) 3.602 11.555 ( 0.000 -0.477 0.000) 0.477 11.710 ( 0.000 5.791 0.000) 5.791 11.859 ( 0.000 -8.986 0.000) 8.986 12.078 ( 0.000 2.933 0.000) 2.933 12.212 ( 0.000 -1.177 0.000) 1.177 12.228 ( 0.000 2.268 0.000) 2.268 12.293 ( 0.000 8.025 0.000) 8.025 12.308 ( 0.000 5.784 0.000) 5.784 12.501 ( 0.000 7.618 0.000) 7.618 13.691 ( 0.000 -1.892 0.000) 1.892 ======================= Grid point 8 (6/60) ======================= q-point: ( 0.17 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.658 ( 16.563 14.144 0.000) 21.781 0.709 ( 19.461 13.579 0.000) 23.730 1.152 ( 14.686 37.879 0.000) 40.627 1.530 ( 3.168 10.006 0.000) 10.496 1.912 ( -7.646 -1.919 0.000) 7.883 2.201 ( 2.719 -7.463 0.000) 7.943 2.309 ( 2.904 -0.811 0.000) 3.015 2.369 ( 5.876 0.037 0.000) 5.877 2.418 ( 1.375 2.081 0.000) 2.494 2.440 ( -0.082 0.957 0.000) 0.961 2.487 ( 0.149 3.554 0.000) 3.557 2.576 ( 3.535 7.576 0.000) 8.360 2.703 ( 13.821 1.265 0.000) 13.879 2.731 ( -1.282 -1.939 0.000) 2.324 2.964 ( -2.879 1.799 0.000) 3.395 3.152 ( -0.668 10.389 0.000) 10.410 3.366 ( -2.746 -1.868 0.000) 3.321 3.586 ( -5.850 -3.790 0.000) 6.971 3.694 ( -1.832 1.213 0.000) 2.197 3.891 ( 0.331 -6.526 0.000) 6.535 4.004 ( -0.229 0.115 0.000) 0.256 4.400 ( -9.637 -14.336 0.000) 17.274 4.609 ( -0.650 2.047 0.000) 2.148 4.805 ( 1.552 -2.415 0.000) 2.870 4.919 ( 2.911 -8.237 0.000) 8.736 5.030 ( -3.601 4.058 0.000) 5.425 5.217 ( 0.917 -2.152 0.000) 2.339 5.227 ( 0.651 -3.682 0.000) 3.739 5.437 ( 1.410 -8.281 0.000) 8.401 5.464 ( -0.116 3.969 0.000) 3.971 5.536 ( 5.596 4.136 0.000) 6.958 5.581 ( 3.419 1.606 0.000) 3.777 5.663 ( 7.254 -2.405 0.000) 7.642 5.759 ( -1.019 11.454 0.000) 11.499 5.859 ( 2.183 -0.081 0.000) 2.185 5.960 ( 3.301 3.878 0.000) 5.093 6.173 ( -5.471 3.528 0.000) 6.510 6.371 ( -1.821 -5.593 0.000) 5.882 6.559 ( -1.885 -3.216 0.000) 3.728 6.783 ( -10.052 -2.074 0.000) 10.263 7.451 ( 1.172 -1.034 0.000) 1.563 7.836 ( 3.018 0.922 0.000) 3.156 7.922 ( 1.958 0.730 0.000) 2.090 8.226 ( -1.617 -5.271 0.000) 5.514 8.439 ( -2.708 -3.381 0.000) 4.332 8.580 ( -4.184 -2.128 0.000) 4.694 8.660 ( -5.508 4.006 0.000) 6.811 8.702 ( -2.636 3.591 0.000) 4.454 8.863 ( 3.446 3.887 0.000) 5.195 8.979 ( -0.001 1.936 0.000) 1.936 9.094 ( 3.892 -3.225 0.000) 5.055 9.199 ( 1.015 0.371 0.000) 1.081 9.314 ( 0.733 -3.771 0.000) 3.841 9.359 ( 2.093 0.507 0.000) 2.153 9.647 ( -1.169 0.017 0.000) 1.170 9.701 ( 1.273 -2.694 0.000) 2.980 9.749 ( -3.333 0.673 0.000) 3.401 9.888 ( -0.308 2.211 0.000) 2.232 9.953 ( -1.533 0.555 0.000) 1.631 9.986 ( 2.280 1.539 0.000) 2.751 10.046 ( 2.412 -1.679 0.000) 2.939 10.213 ( -3.285 -9.476 0.000) 10.029 10.312 ( 3.960 -0.440 0.000) 3.984 10.427 ( -2.287 -0.817 0.000) 2.429 10.478 ( -5.781 3.802 0.000) 6.920 10.621 ( -7.002 1.749 0.000) 7.218 10.792 ( -0.431 -4.576 0.000) 4.596 10.892 ( 6.075 -3.019 0.000) 6.784 11.014 ( 8.955 -7.792 0.000) 11.870 11.130 ( -0.452 -5.218 0.000) 5.238 11.161 ( 5.213 0.664 0.000) 5.256 11.287 ( 6.737 -5.985 0.000) 9.012 11.405 ( -5.195 -1.840 0.000) 5.511 11.536 ( -0.900 -2.250 0.000) 2.423 11.576 ( 0.986 -3.051 0.000) 3.206 11.685 ( -2.376 3.468 0.000) 4.204 11.894 ( 2.710 -5.021 0.000) 5.706 12.024 ( -2.785 6.008 0.000) 6.622 12.141 ( -2.377 6.538 0.000) 6.957 12.238 ( -0.759 -0.336 0.000) 0.830 12.291 ( -0.616 6.293 0.000) 6.323 12.353 ( 1.240 9.652 0.000) 9.732 12.541 ( 3.680 2.775 0.000) 4.609 13.280 ( -21.779 19.622 0.000) 29.315 ======================= Grid point 9 (7/60) ======================= q-point: ( 0.33 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( 15.103 10.490 0.000) 18.388 1.033 ( 13.315 13.672 0.000) 19.084 1.418 ( 2.377 12.230 0.000) 12.459 1.672 ( 7.917 7.863 0.000) 11.158 1.722 ( -2.920 6.285 0.000) 6.930 2.235 ( -3.633 -2.176 0.000) 4.235 2.385 ( 2.431 -0.068 0.000) 2.432 2.421 ( 1.635 0.014 0.000) 1.635 2.474 ( 6.686 2.684 0.000) 7.205 2.495 ( 2.174 3.085 0.000) 3.774 2.584 ( 9.456 1.234 0.000) 9.537 2.667 ( 2.121 4.175 0.000) 4.683 2.688 ( -0.476 1.981 0.000) 2.037 2.887 ( -4.607 2.512 0.000) 5.247 2.992 ( 11.683 -1.133 0.000) 11.737 3.141 ( 0.084 10.462 0.000) 10.463 3.271 ( -6.146 -2.571 0.000) 6.662 3.418 ( -8.655 -1.879 0.000) 8.857 3.687 ( 1.427 -0.737 0.000) 1.607 3.873 ( -2.975 -3.181 0.000) 4.356 4.001 ( 0.873 -4.515 0.000) 4.599 4.197 ( -8.610 -13.083 0.000) 15.662 4.614 ( 1.621 4.524 0.000) 4.806 4.783 ( -3.570 5.692 0.000) 6.719 4.945 ( -0.539 -1.226 0.000) 1.339 4.988 ( -0.319 -4.866 0.000) 4.877 5.240 ( 2.026 -0.366 0.000) 2.058 5.293 ( 4.850 -3.155 0.000) 5.786 5.391 ( -2.983 -3.948 0.000) 4.948 5.509 ( -0.576 2.682 0.000) 2.743 5.658 ( 5.474 0.849 0.000) 5.539 5.690 ( 5.918 2.025 0.000) 6.255 5.768 ( 1.497 -1.830 0.000) 2.364 5.816 ( 8.449 2.721 0.000) 8.876 5.953 ( 4.550 -0.672 0.000) 4.600 5.988 ( -0.413 -1.638 0.000) 1.689 6.091 ( -0.553 5.339 0.000) 5.368 6.336 ( -0.639 -5.240 0.000) 5.278 6.485 ( -7.435 -3.112 0.000) 8.060 6.506 ( -13.122 -2.902 0.000) 13.439 7.516 ( 4.961 -0.654 0.000) 5.004 7.803 ( -5.514 2.112 0.000) 5.905 7.993 ( 4.586 -2.200 0.000) 5.086 8.183 ( -2.742 -1.154 0.000) 2.975 8.396 ( -0.898 -1.959 0.000) 2.155 8.474 ( -5.003 -0.019 0.000) 5.003 8.581 ( -1.597 1.650 0.000) 2.297 8.649 ( -2.631 1.848 0.000) 3.215 8.923 ( 1.845 1.185 0.000) 2.193 8.971 ( -0.692 1.193 0.000) 1.380 9.132 ( 0.897 -1.931 0.000) 2.129 9.217 ( -0.944 -1.588 0.000) 1.848 9.413 ( 3.280 -0.339 0.000) 3.298 9.421 ( 9.975 -0.182 0.000) 9.977 9.588 ( -4.348 -1.218 0.000) 4.515 9.694 ( 0.147 1.369 0.000) 1.377 9.735 ( -0.294 -1.539 0.000) 1.567 9.856 ( -0.994 4.002 0.000) 4.124 9.897 ( -4.031 0.234 0.000) 4.038 10.019 ( -7.737 -2.285 0.000) 8.068 10.087 ( 4.535 0.028 0.000) 4.535 10.136 ( 0.432 -2.935 0.000) 2.967 10.310 ( -3.772 -0.405 0.000) 3.794 10.372 ( -2.034 0.707 0.000) 2.153 10.491 ( 6.917 1.571 0.000) 7.094 10.539 ( 0.013 -1.406 0.000) 1.406 10.721 ( -4.788 -2.363 0.000) 5.340 10.977 ( -9.381 -2.879 0.000) 9.813 11.064 ( 6.424 -3.023 0.000) 7.100 11.167 ( 3.331 -12.236 0.000) 12.681 11.275 ( 3.404 -0.045 0.000) 3.405 11.363 ( 2.311 -2.360 0.000) 3.303 11.379 ( 1.644 -6.226 0.000) 6.440 11.520 ( -0.999 -0.619 0.000) 1.175 11.574 ( -1.588 -6.356 0.000) 6.552 11.635 ( -1.255 -1.539 0.000) 1.986 11.956 ( 2.892 -1.460 0.000) 3.240 12.003 ( 0.225 4.763 0.000) 4.768 12.121 ( 0.586 6.741 0.000) 6.766 12.208 ( -2.121 0.285 0.000) 2.141 12.281 ( 0.121 9.681 0.000) 9.682 12.345 ( -1.476 12.984 0.000) 13.067 12.636 ( 5.123 2.757 0.000) 5.817 12.949 ( -11.235 13.914 0.000) 17.884 ======================= Grid point 10 (8/60) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( -3.199 10.904 0.000) 11.363 1.215 ( 3.199 10.904 0.000) 11.363 1.463 ( -3.974 5.248 0.000) 6.583 1.463 ( 3.974 5.248 0.000) 6.583 2.039 ( -13.645 5.129 0.000) 14.578 2.039 ( 13.645 5.129 0.000) 14.578 2.421 ( -0.083 2.664 0.000) 2.665 2.421 ( 0.083 2.664 0.000) 2.665 2.572 ( -2.885 0.608 0.000) 2.948 2.572 ( 2.885 0.608 0.000) 2.948 2.675 ( -2.034 2.459 0.000) 3.191 2.675 ( 2.034 2.459 0.000) 3.191 2.765 ( -0.793 2.942 0.000) 3.047 2.765 ( 0.793 2.942 0.000) 3.047 3.157 ( -1.537 0.145 0.000) 1.543 3.157 ( 1.537 0.145 0.000) 1.543 3.225 ( -5.748 2.275 0.000) 6.182 3.225 ( 5.748 2.275 0.000) 6.182 3.769 ( -3.279 -3.035 0.000) 4.468 3.769 ( 3.279 -3.035 0.000) 4.468 4.059 ( -0.937 -8.500 0.000) 8.552 4.059 ( 0.937 -8.500 0.000) 8.552 4.684 ( -1.980 7.452 0.000) 7.711 4.684 ( 1.980 7.452 0.000) 7.711 4.962 ( -0.241 -3.740 0.000) 3.747 4.962 ( 0.241 -3.740 0.000) 3.747 5.302 ( -3.246 -1.019 0.000) 3.402 5.302 ( 3.246 -1.019 0.000) 3.402 5.430 ( -2.184 0.085 0.000) 2.185 5.430 ( 2.184 0.085 0.000) 2.185 5.749 ( -0.585 -0.336 0.000) 0.675 5.749 ( 0.585 -0.336 0.000) 0.675 5.823 ( -1.384 -0.109 0.000) 1.388 5.823 ( 1.384 -0.109 0.000) 1.388 6.067 ( -1.244 -0.154 0.000) 1.254 6.067 ( 1.244 -0.154 0.000) 1.254 6.155 ( -14.886 -0.389 0.000) 14.891 6.155 ( 14.886 -0.389 0.000) 14.891 6.380 ( -4.617 -4.786 0.000) 6.650 6.380 ( 4.617 -4.786 0.000) 6.650 7.653 ( -7.212 0.495 0.000) 7.229 7.653 ( 7.212 0.495 0.000) 7.229 8.099 ( -4.642 -0.900 0.000) 4.728 8.099 ( 4.642 -0.900 0.000) 4.728 8.403 ( -0.274 0.064 0.000) 0.282 8.403 ( 0.274 0.064 0.000) 0.282 8.594 ( -0.772 0.585 0.000) 0.969 8.594 ( 0.772 0.585 0.000) 0.969 8.949 ( -0.313 0.476 0.000) 0.570 8.949 ( 0.313 0.476 0.000) 0.570 9.173 ( -0.454 -1.173 0.000) 1.258 9.173 ( 0.454 -1.173 0.000) 1.258 9.491 ( -2.667 -1.107 0.000) 2.887 9.491 ( 2.667 -1.107 0.000) 2.887 9.668 ( -9.269 -1.952 0.000) 9.473 9.668 ( 9.269 -1.952 0.000) 9.473 9.732 ( -4.130 3.106 0.000) 5.168 9.732 ( 4.130 3.106 0.000) 5.168 9.891 ( -2.699 0.553 0.000) 2.755 9.891 ( 2.699 0.553 0.000) 2.755 10.145 ( -0.810 -1.712 0.000) 1.894 10.145 ( 0.810 -1.712 0.000) 1.894 10.308 ( -1.661 0.921 0.000) 1.899 10.308 ( 1.661 0.921 0.000) 1.899 10.590 ( -1.363 -2.779 0.000) 3.096 10.590 ( 1.363 -2.779 0.000) 3.096 10.728 ( -9.560 0.752 0.000) 9.590 10.728 ( 9.560 0.752 0.000) 9.590 11.176 ( -0.855 -9.502 0.000) 9.540 11.176 ( 0.855 -9.502 0.000) 9.540 11.344 ( -2.315 -2.721 0.000) 3.572 11.344 ( 2.315 -2.721 0.000) 3.572 11.449 ( -3.623 1.405 0.000) 3.886 11.449 ( 3.623 1.405 0.000) 3.886 11.598 ( -0.738 -6.794 0.000) 6.834 11.598 ( 0.738 -6.794 0.000) 6.834 12.001 ( -0.245 1.215 0.000) 1.239 12.001 ( 0.245 1.215 0.000) 1.239 12.156 ( -0.913 2.713 0.000) 2.862 12.156 ( 0.913 2.713 0.000) 2.862 12.305 ( -1.938 13.225 0.000) 13.366 12.305 ( 1.938 13.225 0.000) 13.366 12.762 ( -6.665 7.156 0.000) 9.779 12.762 ( 6.665 7.156 0.000) 9.779 ======================= Grid point 14 (9/60) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( 0.000 18.575 0.000) 18.575 0.866 ( 0.000 20.442 0.000) 20.442 1.699 ( 0.000 11.757 0.000) 11.757 1.796 ( 0.000 24.440 0.000) 24.440 1.915 ( 0.000 -6.107 0.000) 6.107 2.020 ( 0.000 0.076 0.000) 0.076 2.232 ( 0.000 -2.633 0.000) 2.633 2.360 ( 0.000 -0.006 0.000) 0.006 2.423 ( 0.000 8.250 0.000) 8.250 2.484 ( 0.000 3.848 0.000) 3.848 2.572 ( 0.000 4.144 0.000) 4.144 2.623 ( 0.000 5.451 0.000) 5.451 2.714 ( 0.000 -1.019 0.000) 1.019 2.721 ( 0.000 11.007 0.000) 11.007 3.023 ( 0.000 1.708 0.000) 1.708 3.308 ( 0.000 4.345 0.000) 4.345 3.413 ( 0.000 3.315 0.000) 3.315 3.564 ( 0.000 -1.585 0.000) 1.585 3.742 ( 0.000 -6.606 0.000) 6.606 3.811 ( 0.000 6.223 0.000) 6.223 4.020 ( 0.000 1.759 0.000) 1.759 4.272 ( 0.000 -15.380 0.000) 15.380 4.379 ( 0.000 -15.079 0.000) 15.079 4.740 ( 0.000 -12.738 0.000) 12.738 4.781 ( 0.000 3.134 0.000) 3.134 5.063 ( 0.000 -9.658 0.000) 9.658 5.097 ( 0.000 2.612 0.000) 2.612 5.178 ( 0.000 -6.792 0.000) 6.792 5.276 ( 0.000 -3.573 0.000) 3.573 5.482 ( 0.000 -2.649 0.000) 2.649 5.525 ( 0.000 2.747 0.000) 2.747 5.592 ( 0.000 3.450 0.000) 3.450 5.711 ( 0.000 11.890 0.000) 11.890 5.842 ( 0.000 0.468 0.000) 0.468 5.990 ( 0.000 2.911 0.000) 2.911 6.053 ( 0.000 12.205 0.000) 12.205 6.283 ( 0.000 -4.314 0.000) 4.314 6.290 ( 0.000 0.422 0.000) 0.422 6.492 ( 0.000 -5.495 0.000) 5.495 6.847 ( 0.000 -2.637 0.000) 2.637 7.460 ( 0.000 1.506 0.000) 1.506 7.811 ( 0.000 4.213 0.000) 4.213 8.008 ( 0.000 6.019 0.000) 6.019 8.068 ( 0.000 -10.681 0.000) 10.681 8.419 ( 0.000 -1.846 0.000) 1.846 8.561 ( 0.000 -5.500 0.000) 5.500 8.737 ( 0.000 1.548 0.000) 1.548 8.867 ( 0.000 0.967 0.000) 0.967 8.884 ( 0.000 1.435 0.000) 1.435 8.905 ( 0.000 1.634 0.000) 1.634 9.046 ( 0.000 -2.881 0.000) 2.881 9.152 ( 0.000 -5.668 0.000) 5.668 9.274 ( 0.000 4.758 0.000) 4.758 9.366 ( 0.000 2.368 0.000) 2.368 9.607 ( 0.000 -2.606 0.000) 2.606 9.668 ( 0.000 -0.994 0.000) 0.994 9.765 ( 0.000 -1.713 0.000) 1.713 9.889 ( 0.000 1.701 0.000) 1.701 9.933 ( 0.000 -1.493 0.000) 1.493 9.970 ( 0.000 -1.197 0.000) 1.197 10.033 ( 0.000 -2.513 0.000) 2.513 10.082 ( 0.000 -5.248 0.000) 5.248 10.282 ( 0.000 1.075 0.000) 1.075 10.407 ( 0.000 -0.263 0.000) 0.263 10.603 ( 0.000 -6.009 0.000) 6.009 10.743 ( 0.000 0.075 0.000) 0.075 10.775 ( 0.000 4.119 0.000) 4.119 10.843 ( 0.000 4.953 0.000) 4.953 10.947 ( 0.000 2.295 0.000) 2.295 10.963 ( 0.000 -6.725 0.000) 6.725 11.033 ( 0.000 -5.946 0.000) 5.946 11.193 ( 0.000 2.498 0.000) 2.498 11.494 ( 0.000 -1.829 0.000) 1.829 11.517 ( 0.000 2.318 0.000) 2.318 11.543 ( 0.000 -0.384 0.000) 0.384 11.693 ( 0.000 -8.049 0.000) 8.049 11.782 ( 0.000 1.809 0.000) 1.809 12.098 ( 0.000 -0.404 0.000) 0.404 12.178 ( 0.000 -2.326 0.000) 2.326 12.186 ( 0.000 -4.795 0.000) 4.795 12.471 ( 0.000 10.436 0.000) 10.436 12.504 ( 0.000 11.226 0.000) 11.226 12.720 ( 0.000 14.722 0.000) 14.722 13.630 ( 0.000 -4.893 0.000) 4.893 ======================= Grid point 15 (10/60) ======================= q-point: ( 0.17 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( 13.291 14.198 0.000) 19.449 0.987 ( 12.666 16.440 0.000) 20.753 1.734 ( 0.181 12.617 0.000) 12.619 1.820 ( 1.311 16.703 0.000) 16.755 1.862 ( -1.321 -1.498 0.000) 1.997 2.077 ( 5.346 1.218 0.000) 5.483 2.287 ( 4.646 -0.327 0.000) 4.657 2.405 ( 3.247 2.151 0.000) 3.895 2.472 ( 3.599 5.132 0.000) 6.268 2.491 ( 1.144 4.136 0.000) 4.291 2.568 ( 1.184 5.211 0.000) 5.344 2.707 ( -0.534 -0.769 0.000) 0.936 2.734 ( 5.982 5.051 0.000) 7.829 2.765 ( 6.640 8.400 0.000) 10.707 3.002 ( -1.920 2.304 0.000) 2.999 3.299 ( -1.497 2.480 0.000) 2.897 3.367 ( -2.673 3.590 0.000) 4.476 3.532 ( -3.982 -0.547 0.000) 4.019 3.763 ( -3.166 6.438 0.000) 7.174 3.769 ( 2.268 -5.297 0.000) 5.762 4.005 ( -2.925 -0.852 0.000) 3.046 4.130 ( -8.196 -12.605 0.000) 15.035 4.457 ( 3.308 -14.667 0.000) 15.035 4.716 ( 0.158 -12.710 0.000) 12.711 4.854 ( 4.077 4.536 0.000) 6.099 5.079 ( -0.472 -2.024 0.000) 2.078 5.115 ( 3.183 -5.461 0.000) 6.321 5.192 ( 1.598 -0.801 0.000) 1.787 5.283 ( 1.924 -6.763 0.000) 7.031 5.493 ( 0.554 0.082 0.000) 0.560 5.596 ( 4.442 0.399 0.000) 4.460 5.619 ( 3.330 2.777 0.000) 4.336 5.719 ( 0.926 7.821 0.000) 7.876 5.855 ( 1.620 1.493 0.000) 2.202 5.951 ( -1.658 4.374 0.000) 4.678 6.062 ( -1.681 7.719 0.000) 7.900 6.228 ( -3.357 1.759 0.000) 3.790 6.266 ( -2.169 -3.885 0.000) 4.450 6.461 ( -2.996 -6.734 0.000) 7.371 6.741 ( -9.730 -2.342 0.000) 10.007 7.463 ( 1.190 2.212 0.000) 2.512 7.866 ( 3.466 2.492 0.000) 4.269 7.964 ( -3.503 0.552 0.000) 3.546 8.100 ( 2.854 -4.947 0.000) 5.712 8.399 ( -1.769 -1.458 0.000) 2.292 8.520 ( -3.135 -4.368 0.000) 5.377 8.709 ( -2.971 1.993 0.000) 3.577 8.768 ( -4.617 2.878 0.000) 5.441 8.933 ( 1.238 2.146 0.000) 2.478 8.970 ( 2.337 -1.229 0.000) 2.641 9.036 ( 1.609 -3.021 0.000) 3.423 9.168 ( 0.527 -4.963 0.000) 4.991 9.301 ( 3.109 4.168 0.000) 5.200 9.381 ( 1.254 1.868 0.000) 2.250 9.625 ( 0.305 -2.129 0.000) 2.151 9.657 ( -0.948 -1.950 0.000) 2.168 9.742 ( -1.364 -1.374 0.000) 1.936 9.908 ( 0.351 -0.730 0.000) 0.810 9.947 ( -1.974 -1.454 0.000) 2.452 9.991 ( 4.559 -0.489 0.000) 4.585 10.020 ( 0.296 -2.004 0.000) 2.025 10.084 ( -0.183 -2.579 0.000) 2.585 10.308 ( 2.554 0.658 0.000) 2.637 10.413 ( -1.024 -0.980 0.000) 1.417 10.509 ( -5.044 -2.227 0.000) 5.514 10.625 ( -8.145 0.154 0.000) 8.146 10.754 ( -2.144 0.229 0.000) 2.156 10.825 ( 0.802 -1.095 0.000) 1.357 10.998 ( 4.318 -0.518 0.000) 4.349 11.025 ( 0.411 -3.698 0.000) 3.720 11.116 ( 5.522 -6.250 0.000) 8.340 11.244 ( 4.393 1.149 0.000) 4.541 11.389 ( -6.321 1.097 0.000) 6.415 11.490 ( -1.745 -1.029 0.000) 2.026 11.561 ( 0.374 -0.150 0.000) 0.403 11.679 ( -1.862 -3.478 0.000) 3.945 11.831 ( 3.736 -1.199 0.000) 3.924 12.072 ( -1.496 0.575 0.000) 1.603 12.153 ( -0.581 -3.475 0.000) 3.523 12.226 ( 1.182 -1.311 0.000) 1.765 12.484 ( 1.319 11.712 0.000) 11.786 12.543 ( 3.297 9.999 0.000) 10.529 12.714 ( -0.175 13.792 0.000) 13.793 13.459 ( -13.526 2.025 0.000) 13.677 ======================= Grid point 16 (11/60) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 11.927 9.666 0.000) 15.352 1.300 ( 12.771 12.625 0.000) 17.958 1.682 ( -4.443 6.666 0.000) 8.011 1.704 ( -7.135 6.336 0.000) 9.543 2.003 ( 8.749 13.071 0.000) 15.728 2.212 ( 4.657 0.240 0.000) 4.663 2.371 ( 2.696 1.961 0.000) 3.334 2.469 ( 3.839 5.309 0.000) 6.551 2.520 ( 2.596 1.135 0.000) 2.834 2.558 ( 1.903 1.926 0.000) 2.708 2.669 ( 5.171 6.930 0.000) 8.647 2.677 ( 1.638 0.225 0.000) 1.653 2.819 ( 3.964 7.988 0.000) 8.917 2.940 ( -4.696 3.107 0.000) 5.631 2.979 ( 9.166 0.671 0.000) 9.190 3.226 ( -4.494 0.718 0.000) 4.551 3.347 ( 0.192 5.825 0.000) 5.828 3.420 ( -4.991 4.754 0.000) 6.892 3.700 ( -2.658 2.938 0.000) 3.962 3.799 ( -2.691 -4.006 0.000) 4.827 3.889 ( -2.649 -8.702 0.000) 9.096 4.014 ( -3.973 -4.464 0.000) 5.976 4.523 ( 3.865 -12.659 0.000) 13.236 4.711 ( -1.904 -13.654 0.000) 13.786 4.929 ( 3.016 5.571 0.000) 6.335 5.039 ( -2.556 3.178 0.000) 4.078 5.213 ( 3.404 -2.355 0.000) 4.140 5.267 ( 6.922 -1.168 0.000) 7.020 5.319 ( 0.262 -2.722 0.000) 2.735 5.532 ( 2.876 0.304 0.000) 2.892 5.677 ( 3.348 -0.043 0.000) 3.348 5.706 ( 4.019 0.426 0.000) 4.041 5.737 ( 0.278 0.945 0.000) 0.985 5.906 ( 1.555 2.320 0.000) 2.793 5.956 ( -3.436 -0.558 0.000) 3.481 5.983 ( 3.871 4.650 0.000) 6.050 6.177 ( -2.255 3.120 0.000) 3.850 6.228 ( -0.615 -4.595 0.000) 4.636 6.373 ( -5.128 -7.795 0.000) 9.331 6.468 ( -15.193 -1.520 0.000) 15.269 7.531 ( 5.292 2.356 0.000) 5.793 7.824 ( -6.566 -0.154 0.000) 6.568 7.979 ( 4.520 1.013 0.000) 4.632 8.151 ( 0.345 -1.914 0.000) 1.945 8.365 ( -0.505 -1.592 0.000) 1.670 8.453 ( -2.955 -1.933 0.000) 3.531 8.627 ( -3.327 2.760 0.000) 4.323 8.680 ( -4.045 1.353 0.000) 4.265 8.944 ( 0.471 0.353 0.000) 0.589 8.986 ( -0.526 1.047 0.000) 1.171 9.091 ( 2.531 -2.554 0.000) 3.596 9.165 ( -0.745 -3.725 0.000) 3.799 9.416 ( 2.440 0.771 0.000) 2.559 9.425 ( 8.056 0.757 0.000) 8.092 9.567 ( -4.019 -0.732 0.000) 4.086 9.667 ( 0.691 -3.027 0.000) 3.105 9.728 ( -0.076 -0.762 0.000) 0.765 9.854 ( -4.488 -5.754 0.000) 7.297 9.911 ( -1.331 1.486 0.000) 1.995 9.996 ( -4.286 1.890 0.000) 4.684 10.077 ( 1.471 -0.890 0.000) 1.720 10.114 ( 4.834 0.447 0.000) 4.855 10.316 ( -4.039 0.531 0.000) 4.074 10.379 ( 0.661 0.231 0.000) 0.700 10.480 ( 1.382 -3.287 0.000) 3.566 10.529 ( 0.292 0.304 0.000) 0.421 10.706 ( -1.680 1.842 0.000) 2.493 10.876 ( 1.876 -6.956 0.000) 7.205 10.940 ( -6.322 -6.100 0.000) 8.785 11.056 ( -0.102 -3.313 0.000) 3.315 11.192 ( 2.568 -6.513 0.000) 7.001 11.263 ( -1.502 -4.895 0.000) 5.121 11.399 ( 5.403 3.760 0.000) 6.582 11.476 ( 0.778 -1.237 0.000) 1.461 11.546 ( -1.809 1.052 0.000) 2.093 11.621 ( -3.327 -1.499 0.000) 3.649 11.910 ( 3.702 -2.399 0.000) 4.411 12.045 ( -1.705 -0.335 0.000) 1.737 12.154 ( 0.998 -0.701 0.000) 1.220 12.227 ( -0.959 1.447 0.000) 1.736 12.525 ( 2.460 13.389 0.000) 13.613 12.600 ( 0.737 12.561 0.000) 12.582 12.753 ( 5.056 9.341 0.000) 10.622 13.164 ( -13.272 7.592 0.000) 15.290 ======================= Grid point 17 (12/60) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( -5.706 8.325 0.000) 10.092 1.404 ( 5.706 8.325 0.000) 10.092 1.603 ( -0.230 8.814 0.000) 8.817 1.603 ( 0.230 8.814 0.000) 8.817 2.172 ( -5.460 8.040 0.000) 9.719 2.172 ( 5.460 8.040 0.000) 9.719 2.453 ( -1.360 0.446 0.000) 1.431 2.453 ( 1.360 0.446 0.000) 1.431 2.593 ( -0.700 0.677 0.000) 0.974 2.593 ( 0.700 0.677 0.000) 0.974 2.720 ( -2.772 1.405 0.000) 3.108 2.720 ( 2.772 1.405 0.000) 3.108 2.865 ( -0.015 8.113 0.000) 8.113 2.865 ( 0.015 8.113 0.000) 8.113 3.124 ( -5.426 -0.077 0.000) 5.426 3.124 ( 5.426 -0.077 0.000) 5.426 3.359 ( -1.083 9.143 0.000) 9.207 3.359 ( 1.083 9.143 0.000) 9.207 3.696 ( -1.596 -4.270 0.000) 4.558 3.696 ( 1.596 -4.270 0.000) 4.558 3.932 ( -0.847 -4.730 0.000) 4.805 3.932 ( 0.847 -4.730 0.000) 4.805 4.627 ( -5.100 -12.089 0.000) 13.121 4.627 ( 5.100 -12.089 0.000) 13.121 4.985 ( -0.636 4.671 0.000) 4.714 4.985 ( 0.636 4.671 0.000) 4.714 5.270 ( -0.815 -1.695 0.000) 1.881 5.270 ( 0.815 -1.695 0.000) 1.881 5.472 ( -8.708 3.406 0.000) 9.351 5.472 ( 8.708 3.406 0.000) 9.351 5.725 ( -0.344 -1.447 0.000) 1.487 5.725 ( 0.344 -1.447 0.000) 1.487 5.810 ( -0.950 -1.720 0.000) 1.965 5.810 ( 0.950 -1.720 0.000) 1.965 6.066 ( -0.231 0.053 0.000) 0.237 6.066 ( 0.231 0.053 0.000) 0.237 6.166 ( -8.281 1.438 0.000) 8.405 6.166 ( 8.281 1.438 0.000) 8.405 6.267 ( -2.965 -6.344 0.000) 7.002 6.267 ( 2.965 -6.344 0.000) 7.002 7.671 ( -7.012 1.458 0.000) 7.162 7.671 ( 7.012 1.458 0.000) 7.162 8.088 ( -3.594 -0.197 0.000) 3.600 8.088 ( 3.594 -0.197 0.000) 3.600 8.396 ( -0.488 -0.979 0.000) 1.093 8.396 ( 0.488 -0.979 0.000) 1.093 8.610 ( -0.804 1.203 0.000) 1.448 8.610 ( 0.804 1.203 0.000) 1.448 8.962 ( -0.607 0.839 0.000) 1.036 8.962 ( 0.607 0.839 0.000) 1.036 9.138 ( -0.144 -2.570 0.000) 2.574 9.138 ( 0.144 -2.570 0.000) 2.574 9.476 ( -1.195 -0.344 0.000) 1.243 9.476 ( 1.195 -0.344 0.000) 1.243 9.617 ( -5.919 -3.235 0.000) 6.745 9.617 ( 5.919 -3.235 0.000) 6.745 9.753 ( -2.503 -1.853 0.000) 3.114 9.753 ( 2.503 -1.853 0.000) 3.114 9.914 ( -0.986 2.624 0.000) 2.803 9.914 ( 0.986 2.624 0.000) 2.803 10.122 ( -2.126 -0.732 0.000) 2.249 10.122 ( 2.126 -0.732 0.000) 2.249 10.334 ( -2.510 1.853 0.000) 3.120 10.334 ( 2.510 1.853 0.000) 3.120 10.534 ( -0.869 -2.841 0.000) 2.971 10.534 ( 0.869 -2.841 0.000) 2.971 10.742 ( -3.679 0.438 0.000) 3.705 10.742 ( 3.679 0.438 0.000) 3.705 10.993 ( -2.794 -8.421 0.000) 8.872 10.993 ( 2.794 -8.421 0.000) 8.872 11.240 ( -1.241 -6.916 0.000) 7.026 11.240 ( 1.241 -6.916 0.000) 7.026 11.481 ( -1.123 1.921 0.000) 2.225 11.481 ( 1.123 1.921 0.000) 2.225 11.546 ( -1.351 -0.259 0.000) 1.375 11.546 ( 1.351 -0.259 0.000) 1.375 11.988 ( -2.511 -2.212 0.000) 3.346 11.988 ( 2.511 -2.212 0.000) 3.346 12.192 ( -1.124 1.869 0.000) 2.181 12.192 ( 1.124 1.869 0.000) 2.181 12.577 ( -1.101 13.948 0.000) 13.991 12.577 ( 1.101 13.948 0.000) 13.991 12.918 ( -9.562 8.159 0.000) 12.569 12.918 ( 9.562 8.159 0.000) 12.569 ======================= Grid point 21 (13/60) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( 0.000 16.683 0.000) 16.683 1.211 ( 0.000 15.634 0.000) 15.634 1.694 ( 0.000 -11.742 0.000) 11.742 1.768 ( 0.000 -9.348 0.000) 9.348 1.925 ( 0.000 9.799 0.000) 9.799 2.179 ( 0.000 -3.490 0.000) 3.490 2.298 ( 0.000 9.375 0.000) 9.375 2.371 ( 0.000 1.083 0.000) 1.083 2.560 ( 0.000 3.726 0.000) 3.726 2.643 ( 0.000 9.707 0.000) 9.707 2.660 ( 0.000 4.838 0.000) 4.838 2.688 ( 0.000 -0.507 0.000) 0.507 2.730 ( 0.000 7.027 0.000) 7.027 2.888 ( 0.000 4.222 0.000) 4.222 3.105 ( 0.000 8.042 0.000) 8.042 3.334 ( 0.000 -0.989 0.000) 0.989 3.510 ( 0.000 6.345 0.000) 6.345 3.586 ( 0.000 3.982 0.000) 3.982 3.667 ( 0.000 -1.147 0.000) 1.147 3.919 ( 0.000 -0.340 0.000) 0.340 4.009 ( 0.000 -8.065 0.000) 8.065 4.074 ( 0.000 4.139 0.000) 4.139 4.129 ( 0.000 -10.472 0.000) 10.472 4.460 ( 0.000 -15.762 0.000) 15.762 4.799 ( 0.000 -0.482 0.000) 0.482 4.892 ( 0.000 -7.679 0.000) 7.679 5.064 ( 0.000 -1.656 0.000) 1.656 5.156 ( 0.000 2.790 0.000) 2.790 5.251 ( 0.000 -0.472 0.000) 0.472 5.378 ( 0.000 -8.124 0.000) 8.124 5.605 ( 0.000 4.798 0.000) 4.798 5.655 ( 0.000 2.666 0.000) 2.666 5.866 ( 0.000 2.273 0.000) 2.273 5.913 ( 0.000 8.043 0.000) 8.043 6.042 ( 0.000 2.950 0.000) 2.950 6.100 ( 0.000 -2.902 0.000) 2.902 6.253 ( 0.000 -4.922 0.000) 4.922 6.258 ( 0.000 -3.640 0.000) 3.640 6.484 ( 0.000 7.949 0.000) 7.949 6.782 ( 0.000 -4.690 0.000) 4.690 7.518 ( 0.000 4.716 0.000) 4.716 7.801 ( 0.000 -8.300 0.000) 8.300 7.981 ( 0.000 5.008 0.000) 5.008 8.113 ( 0.000 4.394 0.000) 4.394 8.382 ( 0.000 -2.355 0.000) 2.355 8.427 ( 0.000 -7.903 0.000) 7.903 8.781 ( 0.000 3.171 0.000) 3.171 8.860 ( 0.000 -0.265 0.000) 0.265 8.891 ( 0.000 -0.435 0.000) 0.435 8.930 ( 0.000 -0.514 0.000) 0.514 9.007 ( 0.000 -1.328 0.000) 1.328 9.031 ( 0.000 -5.267 0.000) 5.267 9.416 ( 0.000 8.686 0.000) 8.686 9.424 ( 0.000 3.612 0.000) 3.612 9.556 ( 0.000 -2.888 0.000) 2.888 9.636 ( 0.000 -2.477 0.000) 2.477 9.747 ( 0.000 0.135 0.000) 0.135 9.897 ( 0.000 -5.179 0.000) 5.179 9.913 ( 0.000 0.887 0.000) 0.887 9.925 ( 0.000 -0.956 0.000) 0.956 9.991 ( 0.000 -1.180 0.000) 1.180 10.008 ( 0.000 -2.581 0.000) 2.581 10.321 ( 0.000 2.390 0.000) 2.390 10.389 ( 0.000 -1.459 0.000) 1.459 10.522 ( 0.000 -1.276 0.000) 1.276 10.731 ( 0.000 -7.988 0.000) 7.988 10.772 ( 0.000 2.760 0.000) 2.760 10.879 ( 0.000 0.243 0.000) 0.243 10.881 ( 0.000 -2.552 0.000) 2.552 10.939 ( 0.000 -3.351 0.000) 3.351 11.061 ( 0.000 7.572 0.000) 7.572 11.218 ( 0.000 -0.321 0.000) 0.321 11.500 ( 0.000 1.295 0.000) 1.295 11.514 ( 0.000 -1.126 0.000) 1.126 11.584 ( 0.000 2.629 0.000) 2.629 11.584 ( 0.000 -2.455 0.000) 2.455 11.812 ( 0.000 2.560 0.000) 2.560 12.056 ( 0.000 -7.410 0.000) 7.410 12.089 ( 0.000 -1.216 0.000) 1.216 12.129 ( 0.000 -2.648 0.000) 2.648 12.651 ( 0.000 7.631 0.000) 7.631 12.677 ( 0.000 6.476 0.000) 6.476 13.015 ( 0.000 15.718 0.000) 15.718 13.500 ( 0.000 -8.982 0.000) 8.982 ======================= Grid point 22 (14/60) ======================= q-point: ( 0.17 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( 10.005 13.992 0.000) 17.201 1.285 ( 7.733 14.383 0.000) 16.331 1.706 ( -1.531 -8.983 0.000) 9.113 1.775 ( 3.787 -9.504 0.000) 10.231 1.986 ( 4.342 10.588 0.000) 11.443 2.220 ( 2.966 0.299 0.000) 2.981 2.349 ( 4.955 6.347 0.000) 8.052 2.434 ( 4.698 0.921 0.000) 4.787 2.543 ( -1.284 3.111 0.000) 3.366 2.657 ( 0.255 0.574 0.000) 0.628 2.679 ( 1.679 11.448 0.000) 11.570 2.699 ( 2.111 3.197 0.000) 3.832 2.797 ( 5.392 3.169 0.000) 6.254 2.912 ( 2.150 3.139 0.000) 3.805 3.094 ( -0.638 8.719 0.000) 8.743 3.319 ( -0.580 -0.453 0.000) 0.736 3.451 ( -4.165 6.375 0.000) 7.615 3.555 ( -2.745 2.635 0.000) 3.806 3.708 ( 2.660 -2.902 0.000) 3.937 3.864 ( -6.754 -7.938 0.000) 10.422 3.921 ( -3.963 7.444 0.000) 8.433 4.056 ( -2.525 0.923 0.000) 2.689 4.178 ( 3.029 -12.608 0.000) 12.967 4.442 ( -0.667 -15.501 0.000) 15.516 4.904 ( 8.385 -0.018 0.000) 8.385 4.976 ( 6.738 -5.310 0.000) 8.579 5.042 ( -0.140 -0.562 0.000) 0.579 5.206 ( 2.788 -0.043 0.000) 2.788 5.220 ( -0.646 0.534 0.000) 0.838 5.426 ( 3.141 -7.120 0.000) 7.783 5.639 ( 2.248 3.604 0.000) 4.247 5.667 ( 1.481 2.166 0.000) 2.624 5.837 ( -1.886 4.093 0.000) 4.507 5.913 ( -0.531 3.197 0.000) 3.241 6.011 ( -1.510 3.666 0.000) 3.965 6.090 ( -1.724 -1.764 0.000) 2.466 6.219 ( -2.690 -3.374 0.000) 4.315 6.247 ( -1.387 -4.854 0.000) 5.048 6.419 ( -5.660 7.091 0.000) 9.074 6.685 ( -8.949 -4.035 0.000) 9.816 7.533 ( 1.739 5.196 0.000) 5.480 7.815 ( 0.399 -8.480 0.000) 8.490 7.987 ( 0.991 5.667 0.000) 5.753 8.115 ( 0.395 2.957 0.000) 2.984 8.363 ( -1.708 -2.623 0.000) 3.130 8.416 ( -0.773 -6.053 0.000) 6.102 8.749 ( -2.829 2.365 0.000) 3.687 8.805 ( -4.672 0.936 0.000) 4.764 8.913 ( 2.315 -1.621 0.000) 2.825 8.976 ( 0.559 -3.435 0.000) 3.480 8.990 ( 2.397 1.420 0.000) 2.786 9.074 ( 1.864 -3.948 0.000) 4.366 9.419 ( 0.711 7.192 0.000) 7.227 9.432 ( 0.548 3.818 0.000) 3.857 9.572 ( 1.090 -3.357 0.000) 3.530 9.624 ( -1.485 -1.860 0.000) 2.381 9.714 ( -1.761 -1.155 0.000) 2.105 9.818 ( -4.759 -6.683 0.000) 8.204 9.943 ( 0.818 0.781 0.000) 1.131 9.989 ( 1.795 -1.150 0.000) 2.132 10.002 ( 4.790 1.204 0.000) 4.939 10.058 ( 3.574 -1.528 0.000) 3.887 10.350 ( 2.038 3.342 0.000) 3.914 10.391 ( -1.368 -0.893 0.000) 1.633 10.446 ( -4.901 -2.617 0.000) 5.556 10.602 ( -7.652 -3.852 0.000) 8.567 10.753 ( -0.581 0.182 0.000) 0.609 10.822 ( -1.803 -2.183 0.000) 2.831 10.946 ( 0.636 -1.085 0.000) 1.257 11.019 ( 4.803 -1.453 0.000) 5.018 11.040 ( -3.437 1.787 0.000) 3.874 11.233 ( 1.378 -3.033 0.000) 3.332 11.457 ( -4.005 5.215 0.000) 6.575 11.493 ( -0.890 1.014 0.000) 1.349 11.553 ( 1.302 -0.838 0.000) 1.548 11.617 ( -0.848 -2.615 0.000) 2.749 11.839 ( 2.155 2.070 0.000) 2.988 12.035 ( -1.730 -5.981 0.000) 6.226 12.098 ( 2.161 0.243 0.000) 2.175 12.184 ( 3.274 -2.852 0.000) 4.342 12.676 ( 2.263 7.831 0.000) 8.152 12.705 ( 2.615 6.312 0.000) 6.833 12.994 ( -1.803 14.779 0.000) 14.888 13.415 ( -7.432 -6.048 0.000) 9.582 ======================= Grid point 23 (15/60) ======================= q-point: ( 0.33 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( 7.452 9.769 0.000) 12.287 1.531 ( 11.911 11.797 0.000) 16.764 1.651 ( -2.826 -3.912 0.000) 4.826 1.848 ( 0.307 -0.029 0.000) 0.308 2.107 ( 8.182 4.953 0.000) 9.565 2.278 ( 2.092 2.953 0.000) 3.619 2.444 ( 2.281 3.933 0.000) 4.547 2.515 ( 0.183 -0.827 0.000) 0.847 2.551 ( 5.658 1.569 0.000) 5.871 2.623 ( -2.522 -3.892 0.000) 4.638 2.654 ( -4.898 8.201 0.000) 9.552 2.811 ( 4.486 4.658 0.000) 6.467 2.902 ( 3.601 1.830 0.000) 4.039 2.965 ( 3.540 0.175 0.000) 3.545 3.121 ( 4.217 12.549 0.000) 13.238 3.334 ( -1.952 9.935 0.000) 10.125 3.393 ( 3.010 1.541 0.000) 3.381 3.501 ( -1.507 1.078 0.000) 1.853 3.673 ( -7.469 -8.995 0.000) 11.692 3.762 ( -2.588 -2.081 0.000) 3.321 3.833 ( -2.177 7.092 0.000) 7.419 3.979 ( -4.563 -0.735 0.000) 4.622 4.258 ( 4.959 -12.152 0.000) 13.125 4.431 ( -1.158 -14.792 0.000) 14.837 5.025 ( 1.436 4.403 0.000) 4.631 5.061 ( 3.129 0.863 0.000) 3.246 5.167 ( 6.737 -2.624 0.000) 7.230 5.224 ( 1.774 -3.280 0.000) 3.729 5.305 ( 7.682 1.505 0.000) 7.828 5.506 ( 4.856 -4.724 0.000) 6.775 5.674 ( 1.881 1.081 0.000) 2.169 5.705 ( 0.933 0.146 0.000) 0.945 5.795 ( -2.770 3.276 0.000) 4.290 5.898 ( -3.485 -2.106 0.000) 4.072 5.974 ( 0.303 2.581 0.000) 2.599 6.071 ( 1.084 3.079 0.000) 3.264 6.148 ( -3.144 -2.137 0.000) 3.801 6.204 ( -2.678 -6.587 0.000) 7.110 6.286 ( -5.918 4.172 0.000) 7.241 6.438 ( -13.232 -2.032 0.000) 13.387 7.600 ( 4.513 4.732 0.000) 6.539 7.790 ( -2.820 -3.570 0.000) 4.550 8.026 ( 2.474 3.591 0.000) 4.361 8.126 ( -0.081 -0.726 0.000) 0.730 8.333 ( -0.247 -1.539 0.000) 1.559 8.400 ( -0.816 -3.594 0.000) 3.686 8.675 ( -3.509 2.139 0.000) 4.109 8.701 ( -4.746 0.817 0.000) 4.815 8.944 ( 1.438 0.209 0.000) 1.453 9.004 ( 0.279 -0.047 0.000) 0.282 9.039 ( 2.462 -2.167 0.000) 3.280 9.095 ( 0.160 -3.171 0.000) 3.175 9.443 ( 0.951 2.174 0.000) 2.372 9.458 ( 2.513 2.621 0.000) 3.631 9.560 ( -2.536 -0.386 0.000) 2.565 9.607 ( 0.523 -3.046 0.000) 3.091 9.685 ( -1.465 -3.226 0.000) 3.543 9.731 ( -2.891 -5.965 0.000) 6.629 9.946 ( 0.309 2.519 0.000) 2.538 10.031 ( 1.927 -0.181 0.000) 1.935 10.076 ( -2.729 1.481 0.000) 3.105 10.122 ( 3.834 0.116 0.000) 3.835 10.319 ( -2.603 -0.109 0.000) 2.605 10.391 ( 4.155 -1.015 0.000) 4.277 10.409 ( -0.200 -1.125 0.000) 1.143 10.517 ( -0.768 -1.647 0.000) 1.817 10.771 ( -3.109 0.701 0.000) 3.187 10.781 ( 3.444 -1.310 0.000) 3.684 10.854 ( -8.450 -1.475 0.000) 8.578 10.988 ( -1.215 -3.551 0.000) 3.753 11.101 ( 2.647 -2.474 0.000) 3.623 11.183 ( -5.015 -4.059 0.000) 6.452 11.458 ( 3.284 2.414 0.000) 4.076 11.493 ( 0.664 2.142 0.000) 2.242 11.560 ( -0.974 0.162 0.000) 0.988 11.582 ( -1.765 -2.232 0.000) 2.845 11.887 ( 2.419 0.232 0.000) 2.430 11.995 ( -2.207 -4.206 0.000) 4.750 12.164 ( 3.589 1.815 0.000) 4.022 12.235 ( 1.200 -0.648 0.000) 1.364 12.737 ( 3.238 8.443 0.000) 9.043 12.781 ( 3.795 6.246 0.000) 7.308 12.960 ( -0.441 11.379 0.000) 11.387 13.226 ( -9.677 -0.833 0.000) 9.713 ======================= Grid point 24 (16/60) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( -2.810 4.488 0.000) 5.296 1.526 ( 2.810 4.488 0.000) 5.296 1.768 ( -4.846 7.968 0.000) 9.326 1.768 ( 4.846 7.968 0.000) 9.326 2.270 ( -3.706 0.978 0.000) 3.832 2.270 ( 3.706 0.978 0.000) 3.832 2.486 ( -1.799 3.064 0.000) 3.553 2.486 ( 1.799 3.064 0.000) 3.553 2.570 ( -0.172 -1.204 0.000) 1.216 2.570 ( 0.172 -1.204 0.000) 1.216 2.720 ( -4.395 -1.249 0.000) 4.569 2.720 ( 4.395 -1.249 0.000) 4.569 3.010 ( -0.251 5.213 0.000) 5.219 3.010 ( 0.251 5.213 0.000) 5.219 3.233 ( -4.528 11.631 0.000) 12.481 3.233 ( 4.528 11.631 0.000) 12.481 3.488 ( -0.461 2.889 0.000) 2.925 3.488 ( 0.461 2.889 0.000) 2.925 3.623 ( -4.578 -3.761 0.000) 5.925 3.623 ( 4.578 -3.761 0.000) 5.925 3.881 ( -3.367 -0.565 0.000) 3.414 3.881 ( 3.367 -0.565 0.000) 3.414 4.369 ( -1.999 -12.865 0.000) 13.019 4.369 ( 1.999 -12.865 0.000) 13.019 5.061 ( -1.495 3.981 0.000) 4.252 5.061 ( 1.495 3.981 0.000) 4.252 5.234 ( -1.208 -2.580 0.000) 2.849 5.234 ( 1.208 -2.580 0.000) 2.849 5.525 ( -6.987 1.373 0.000) 7.121 5.525 ( 6.987 1.373 0.000) 7.121 5.705 ( -0.088 -0.525 0.000) 0.532 5.705 ( 0.088 -0.525 0.000) 0.532 5.772 ( -0.761 -1.718 0.000) 1.879 5.772 ( 0.761 -1.718 0.000) 1.879 6.069 ( -1.760 0.300 0.000) 1.785 6.069 ( 1.760 0.300 0.000) 1.785 6.136 ( -1.415 -4.113 0.000) 4.350 6.136 ( 1.415 -4.113 0.000) 4.350 6.229 ( -1.504 1.939 0.000) 2.454 6.229 ( 1.504 1.939 0.000) 2.454 7.705 ( -4.780 1.920 0.000) 5.151 7.705 ( 4.780 1.920 0.000) 5.151 8.087 ( -1.182 0.007 0.000) 1.182 8.087 ( 1.182 0.007 0.000) 1.182 8.366 ( -0.506 -1.800 0.000) 1.870 8.366 ( 0.506 -1.800 0.000) 1.870 8.637 ( -0.107 1.406 0.000) 1.410 8.637 ( 0.107 1.406 0.000) 1.410 8.981 ( -0.274 1.253 0.000) 1.282 8.981 ( 0.274 1.253 0.000) 1.282 9.082 ( -0.072 -3.105 0.000) 3.106 9.082 ( 0.072 -3.105 0.000) 3.106 9.472 ( -0.176 -0.514 0.000) 0.544 9.472 ( 0.176 -0.514 0.000) 0.544 9.568 ( -2.884 -1.055 0.000) 3.071 9.568 ( 2.884 -1.055 0.000) 3.071 9.688 ( -0.644 -3.979 0.000) 4.031 9.688 ( 0.644 -3.979 0.000) 4.031 9.981 ( -2.193 3.826 0.000) 4.410 9.981 ( 2.193 3.826 0.000) 4.410 10.100 ( -3.138 -1.924 0.000) 3.681 10.100 ( 3.138 -1.924 0.000) 3.681 10.367 ( -1.947 1.061 0.000) 2.217 10.367 ( 1.947 1.061 0.000) 2.217 10.498 ( -3.097 -0.506 0.000) 3.138 10.498 ( 3.097 -0.506 0.000) 3.138 10.720 ( -0.060 -2.889 0.000) 2.890 10.720 ( 0.060 -2.889 0.000) 2.890 10.902 ( -4.118 -1.175 0.000) 4.282 10.902 ( 4.118 -1.175 0.000) 4.282 11.129 ( -0.193 -4.361 0.000) 4.366 11.129 ( 0.193 -4.361 0.000) 4.366 11.511 ( -0.126 1.180 0.000) 1.187 11.511 ( 0.126 1.180 0.000) 1.187 11.544 ( -0.341 -0.337 0.000) 0.479 11.544 ( 0.341 -0.337 0.000) 0.479 11.942 ( -1.760 -2.087 0.000) 2.730 11.942 ( 1.760 -2.087 0.000) 2.730 12.227 ( -1.530 1.586 0.000) 2.204 12.227 ( 1.530 1.586 0.000) 2.204 12.799 ( -0.734 8.888 0.000) 8.919 12.799 ( 0.734 8.888 0.000) 8.919 13.036 ( -7.155 4.011 0.000) 8.202 13.036 ( 7.155 4.011 0.000) 8.202 ======================= Grid point 28 (17/60) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( 0.000 -8.867 0.000) 8.867 1.332 ( 0.000 8.867 0.000) 8.867 1.588 ( 0.000 -6.808 0.000) 6.808 1.588 ( 0.000 6.808 0.000) 6.808 2.084 ( 0.000 -6.790 0.000) 6.790 2.084 ( 0.000 6.790 0.000) 6.790 2.379 ( 0.000 -1.026 0.000) 1.026 2.379 ( 0.000 1.026 0.000) 1.026 2.626 ( 0.000 -3.340 0.000) 3.340 2.626 ( 0.000 3.340 0.000) 3.340 2.720 ( 0.000 -0.720 0.000) 0.720 2.720 ( 0.000 0.720 0.000) 0.720 2.880 ( 0.000 -4.649 0.000) 4.649 2.880 ( 0.000 4.649 0.000) 4.649 3.261 ( 0.000 -6.676 0.000) 6.676 3.261 ( 0.000 6.676 0.000) 6.676 3.630 ( 0.000 -4.769 0.000) 4.769 3.630 ( 0.000 4.769 0.000) 4.769 3.730 ( 0.000 -10.878 0.000) 10.878 3.730 ( 0.000 10.878 0.000) 10.878 4.016 ( 0.000 -1.892 0.000) 1.892 4.016 ( 0.000 1.892 0.000) 1.892 4.202 ( 0.000 -10.184 0.000) 10.184 4.202 ( 0.000 10.184 0.000) 10.184 4.801 ( 0.000 -1.780 0.000) 1.780 4.801 ( 0.000 1.780 0.000) 1.780 5.140 ( 0.000 -6.544 0.000) 6.544 5.140 ( 0.000 6.544 0.000) 6.544 5.251 ( 0.000 -1.680 0.000) 1.680 5.251 ( 0.000 1.680 0.000) 1.680 5.671 ( 0.000 -1.406 0.000) 1.406 5.671 ( 0.000 1.406 0.000) 1.406 5.930 ( 0.000 -3.961 0.000) 3.961 5.930 ( 0.000 3.961 0.000) 3.961 6.104 ( 0.000 -2.046 0.000) 2.046 6.104 ( 0.000 2.046 0.000) 2.046 6.175 ( 0.000 -2.577 0.000) 2.577 6.175 ( 0.000 2.577 0.000) 2.577 6.659 ( 0.000 -8.452 0.000) 8.452 6.659 ( 0.000 8.452 0.000) 8.452 7.637 ( 0.000 -7.780 0.000) 7.780 7.637 ( 0.000 7.780 0.000) 7.780 8.110 ( 0.000 -5.772 0.000) 5.772 8.110 ( 0.000 5.772 0.000) 5.772 8.342 ( 0.000 -0.499 0.000) 0.499 8.342 ( 0.000 0.499 0.000) 0.499 8.851 ( 0.000 -2.919 0.000) 2.919 8.851 ( 0.000 2.919 0.000) 2.919 8.884 ( 0.000 -0.933 0.000) 0.933 8.884 ( 0.000 0.933 0.000) 0.933 8.992 ( 0.000 -0.102 0.000) 0.102 8.992 ( 0.000 0.102 0.000) 0.102 9.494 ( 0.000 -3.535 0.000) 3.535 9.494 ( 0.000 3.535 0.000) 3.535 9.563 ( 0.000 -5.810 0.000) 5.810 9.563 ( 0.000 5.810 0.000) 5.810 9.787 ( 0.000 -4.531 0.000) 4.531 9.787 ( 0.000 4.531 0.000) 4.531 9.923 ( 0.000 -0.106 0.000) 0.106 9.923 ( 0.000 0.106 0.000) 0.106 9.982 ( 0.000 -0.288 0.000) 0.288 9.982 ( 0.000 0.288 0.000) 0.288 10.359 ( 0.000 -1.687 0.000) 1.687 10.359 ( 0.000 1.687 0.000) 1.687 10.576 ( 0.000 -6.642 0.000) 6.642 10.576 ( 0.000 6.642 0.000) 6.642 10.831 ( 0.000 -2.966 0.000) 2.966 10.831 ( 0.000 2.966 0.000) 2.966 10.892 ( 0.000 -1.616 0.000) 1.616 10.892 ( 0.000 1.616 0.000) 1.616 11.177 ( 0.000 -4.195 0.000) 4.195 11.177 ( 0.000 4.195 0.000) 4.195 11.501 ( 0.000 -0.020 0.000) 0.020 11.501 ( 0.000 0.020 0.000) 0.020 11.597 ( 0.000 -1.298 0.000) 1.298 11.597 ( 0.000 1.298 0.000) 1.298 11.907 ( 0.000 -7.302 0.000) 7.302 11.907 ( 0.000 7.302 0.000) 7.302 12.090 ( 0.000 -1.188 0.000) 1.188 12.090 ( 0.000 1.188 0.000) 1.188 12.733 ( 0.000 -0.737 0.000) 0.737 12.733 ( 0.000 0.737 0.000) 0.737 13.291 ( 0.000 -13.108 0.000) 13.108 13.291 ( 0.000 13.108 0.000) 13.108 ======================= Grid point 30 (18/60) ======================= q-point: ( 0.17 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( 7.637 -5.391 0.000) 9.348 1.432 ( 7.637 5.391 0.000) 9.348 1.598 ( 2.118 -6.092 0.000) 6.450 1.598 ( 2.118 6.092 0.000) 6.450 2.152 ( 5.119 -6.024 0.000) 7.905 2.152 ( 5.119 6.024 0.000) 7.905 2.427 ( 3.994 -1.004 0.000) 4.118 2.427 ( 3.994 1.004 0.000) 4.118 2.605 ( -1.919 -3.477 0.000) 3.971 2.605 ( -1.919 3.477 0.000) 3.971 2.768 ( 4.243 -0.186 0.000) 4.247 2.768 ( 4.243 0.186 0.000) 4.247 2.890 ( 0.438 -2.762 0.000) 2.797 2.890 ( 0.438 2.762 0.000) 2.797 3.256 ( 0.603 -5.923 0.000) 5.954 3.256 ( 0.603 5.923 0.000) 5.954 3.579 ( -3.939 -4.323 0.000) 5.849 3.579 ( -3.939 4.323 0.000) 5.849 3.707 ( -2.275 -7.210 0.000) 7.561 3.707 ( -2.275 7.210 0.000) 7.561 4.019 ( -1.175 -1.023 0.000) 1.558 4.019 ( -1.175 1.023 0.000) 1.558 4.178 ( -0.630 -9.988 0.000) 10.008 4.178 ( -0.630 9.988 0.000) 10.008 4.902 ( 8.585 -0.429 0.000) 8.596 4.902 ( 8.585 0.429 0.000) 8.596 5.134 ( -0.046 -4.757 0.000) 4.758 5.134 ( -0.046 4.757 0.000) 4.758 5.287 ( 2.967 -3.886 0.000) 4.889 5.287 ( 2.967 3.886 0.000) 4.889 5.685 ( 1.087 -0.481 0.000) 1.189 5.685 ( 1.087 0.481 0.000) 1.189 5.905 ( -2.050 -2.709 0.000) 3.398 5.905 ( -2.050 2.709 0.000) 3.398 6.082 ( -1.841 -2.698 0.000) 3.267 6.082 ( -1.841 2.698 0.000) 3.267 6.162 ( -1.156 -2.413 0.000) 2.676 6.162 ( -1.156 2.413 0.000) 2.676 6.577 ( -7.459 -7.414 0.000) 10.517 6.577 ( -7.459 7.414 0.000) 10.517 7.656 ( 1.696 -7.716 0.000) 7.900 7.656 ( 1.696 7.716 0.000) 7.900 8.106 ( -0.329 -4.985 0.000) 4.996 8.106 ( -0.329 4.985 0.000) 4.996 8.336 ( -0.381 -1.441 0.000) 1.491 8.336 ( -0.381 1.441 0.000) 1.491 8.794 ( -4.031 -1.141 0.000) 4.189 8.794 ( -4.031 1.141 0.000) 4.189 8.915 ( 2.134 -1.696 0.000) 2.726 8.915 ( 2.134 1.696 0.000) 2.726 9.021 ( 1.951 -0.849 0.000) 2.127 9.021 ( 1.951 0.849 0.000) 2.127 9.501 ( 0.532 -3.660 0.000) 3.698 9.501 ( 0.532 3.660 0.000) 3.698 9.559 ( -0.578 -5.597 0.000) 5.627 9.559 ( -0.578 5.597 0.000) 5.627 9.719 ( -4.066 -2.391 0.000) 4.717 9.719 ( -4.066 2.391 0.000) 4.717 9.966 ( 1.561 -1.097 0.000) 1.908 9.966 ( 1.561 1.097 0.000) 1.908 10.027 ( 4.898 -0.929 0.000) 4.985 10.027 ( 4.898 0.929 0.000) 4.985 10.380 ( 0.388 -0.267 0.000) 0.471 10.380 ( 0.388 0.267 0.000) 0.471 10.490 ( -5.621 -5.773 0.000) 8.058 10.490 ( -5.621 5.773 0.000) 8.058 10.772 ( -1.545 -1.779 0.000) 2.357 10.772 ( -1.545 1.779 0.000) 2.357 10.966 ( 1.474 -1.648 0.000) 2.211 10.966 ( 1.474 1.648 0.000) 2.211 11.141 ( -2.356 -5.976 0.000) 6.424 11.141 ( -2.356 5.976 0.000) 6.424 11.517 ( 0.258 -0.203 0.000) 0.328 11.517 ( 0.258 0.203 0.000) 0.328 11.562 ( -1.639 -2.490 0.000) 2.981 11.562 ( -1.639 2.490 0.000) 2.981 11.914 ( 0.442 -5.501 0.000) 5.519 11.914 ( 0.442 5.501 0.000) 5.519 12.130 ( 3.376 -2.385 0.000) 4.134 12.130 ( 3.376 2.385 0.000) 4.134 12.759 ( 2.437 -0.735 0.000) 2.545 12.759 ( 2.437 0.735 0.000) 2.545 13.246 ( -3.951 -11.482 0.000) 12.143 13.246 ( -3.951 11.482 0.000) 12.143 ======================= Grid point 32 (19/60) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( 2.581 -5.203 0.000) 5.808 1.541 ( 2.581 5.203 0.000) 5.808 1.735 ( 9.271 -9.180 0.000) 13.046 1.735 ( 9.271 9.180 0.000) 13.046 2.241 ( 2.558 -5.182 0.000) 5.779 2.241 ( 2.558 5.182 0.000) 5.779 2.497 ( 1.188 -1.319 0.000) 1.776 2.497 ( 1.188 1.319 0.000) 1.776 2.568 ( -0.084 -1.166 0.000) 1.169 2.568 ( -0.084 1.166 0.000) 1.169 2.790 ( -4.823 -5.212 0.000) 7.101 2.790 ( -4.823 5.212 0.000) 7.101 2.953 ( 7.313 -0.890 0.000) 7.367 2.953 ( 7.313 0.890 0.000) 7.367 3.335 ( 6.659 -6.844 0.000) 9.549 3.335 ( 6.659 6.844 0.000) 9.549 3.498 ( -3.280 -1.861 0.000) 3.771 3.498 ( -3.280 1.861 0.000) 3.771 3.635 ( -4.542 -7.196 0.000) 8.509 3.635 ( -4.542 7.196 0.000) 8.509 3.946 ( -4.495 -2.740 0.000) 5.264 3.946 ( -4.495 2.740 0.000) 5.264 4.204 ( 2.018 -6.273 0.000) 6.589 4.204 ( 2.018 6.273 0.000) 6.589 5.082 ( 5.898 -1.878 0.000) 6.190 5.082 ( 5.898 1.878 0.000) 6.190 5.154 ( 1.984 -2.136 0.000) 2.915 5.154 ( 1.984 2.136 0.000) 2.915 5.381 ( 7.053 -4.527 0.000) 8.380 5.381 ( 7.053 4.527 0.000) 8.380 5.701 ( 0.289 -0.878 0.000) 0.924 5.701 ( 0.289 0.878 0.000) 0.924 5.849 ( -3.935 -2.386 0.000) 4.602 5.849 ( -3.935 2.386 0.000) 4.602 6.051 ( -0.318 -3.782 0.000) 3.795 6.051 ( -0.318 3.782 0.000) 3.795 6.130 ( -1.769 -0.657 0.000) 1.887 6.130 ( -1.769 0.657 0.000) 1.887 6.379 ( -9.885 -4.344 0.000) 10.797 6.379 ( -9.885 4.344 0.000) 10.797 7.700 ( 2.166 -5.462 0.000) 5.876 7.700 ( 2.166 5.462 0.000) 5.876 8.096 ( -0.632 -2.364 0.000) 2.447 8.096 ( -0.632 2.364 0.000) 2.447 8.336 ( 0.484 -1.317 0.000) 1.403 8.336 ( 0.484 1.317 0.000) 1.403 8.704 ( -4.100 -0.155 0.000) 4.103 8.704 ( -4.100 0.155 0.000) 4.103 8.965 ( 2.486 -1.349 0.000) 2.829 8.965 ( 2.486 1.349 0.000) 2.829 9.048 ( 0.284 -0.521 0.000) 0.593 9.048 ( 0.284 0.521 0.000) 0.593 9.489 ( -1.952 -0.463 0.000) 2.006 9.489 ( -1.952 0.463 0.000) 2.006 9.557 ( 0.947 -2.062 0.000) 2.269 9.557 ( 0.947 2.062 0.000) 2.269 9.657 ( -1.832 -0.994 0.000) 2.084 9.657 ( -1.832 0.994 0.000) 2.084 9.998 ( 1.778 -2.372 0.000) 2.964 9.998 ( 1.778 2.372 0.000) 2.964 10.110 ( 0.015 -0.502 0.000) 0.502 10.110 ( 0.015 0.502 0.000) 0.502 10.333 ( 0.261 -0.723 0.000) 0.769 10.333 ( 0.261 0.723 0.000) 0.769 10.464 ( 1.153 -2.953 0.000) 3.170 10.464 ( 1.153 2.953 0.000) 3.170 10.756 ( -1.908 -0.572 0.000) 1.992 10.756 ( -1.908 0.572 0.000) 1.992 10.916 ( -3.414 -4.366 0.000) 5.543 10.916 ( -3.414 4.366 0.000) 5.543 11.110 ( -1.324 -1.860 0.000) 2.283 11.110 ( -1.324 1.860 0.000) 2.283 11.503 ( 0.135 -0.813 0.000) 0.824 11.503 ( 0.135 0.813 0.000) 0.824 11.557 ( -0.374 -0.069 0.000) 0.380 11.557 ( -0.374 0.069 0.000) 0.380 11.920 ( 0.134 -2.699 0.000) 2.703 11.920 ( 0.134 2.699 0.000) 2.703 12.206 ( 3.236 -2.081 0.000) 3.848 12.206 ( 3.236 2.081 0.000) 3.848 12.829 ( 3.908 -0.883 0.000) 4.006 12.829 ( 3.908 0.883 0.000) 4.006 13.144 ( -5.167 -7.482 0.000) 9.093 13.144 ( -5.167 7.482 0.000) 9.093 ======================= Grid point 34 (20/60) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( 0.000 0.000 0.000) 0.000 1.569 ( 0.000 0.000 0.000) 0.000 1.857 ( 0.000 0.000 0.000) 0.000 1.857 ( 0.000 0.000 0.000) 0.000 2.262 ( 0.000 0.000 0.000) 0.000 2.262 ( 0.000 0.000 0.000) 0.000 2.491 ( 0.000 0.000 0.000) 0.000 2.491 ( 0.000 0.000 0.000) 0.000 2.606 ( 0.000 0.000 0.000) 0.000 2.606 ( 0.000 0.000 0.000) 0.000 2.690 ( 0.000 -0.000 0.000) 0.000 2.690 ( 0.000 -0.000 0.000) 0.000 3.058 ( 0.000 0.000 0.000) 0.000 3.058 ( 0.000 0.000 0.000) 0.000 3.440 ( -0.000 0.000 0.000) 0.000 3.440 ( -0.000 0.000 0.000) 0.000 3.481 ( 0.000 -0.000 0.000) 0.000 3.481 ( 0.000 -0.000 0.000) 0.000 3.539 ( 0.000 0.000 0.000) 0.000 3.539 ( 0.000 0.000 0.000) 0.000 3.888 ( 0.000 0.000 0.000) 0.000 3.888 ( 0.000 0.000 0.000) 0.000 4.229 ( 0.000 0.000 0.000) 0.000 4.229 ( 0.000 0.000 0.000) 0.000 5.137 ( 0.000 0.000 0.000) 0.000 5.137 ( 0.000 0.000 0.000) 0.000 5.174 ( 0.000 0.000 0.000) 0.000 5.174 ( 0.000 0.000 0.000) 0.000 5.528 ( 0.000 0.000 0.000) 0.000 5.528 ( 0.000 0.000 0.000) 0.000 5.706 ( -0.000 0.000 0.000) 0.000 5.706 ( -0.000 0.000 0.000) 0.000 5.753 ( 0.000 0.000 0.000) 0.000 5.753 ( 0.000 0.000 0.000) 0.000 6.077 ( 0.000 0.000 0.000) 0.000 6.077 ( 0.000 0.000 0.000) 0.000 6.090 ( -0.000 0.000 0.000) 0.000 6.090 ( -0.000 0.000 0.000) 0.000 6.252 ( 0.000 0.000 0.000) 0.000 6.252 ( 0.000 0.000 0.000) 0.000 7.727 ( 0.000 0.000 0.000) 0.000 7.727 ( 0.000 0.000 0.000) 0.000 8.087 ( 0.000 0.000 0.000) 0.000 8.087 ( 0.000 0.000 0.000) 0.000 8.346 ( 0.000 0.000 0.000) 0.000 8.346 ( 0.000 0.000 0.000) 0.000 8.652 ( 0.000 0.000 0.000) 0.000 8.652 ( 0.000 0.000 0.000) 0.000 9.003 ( 0.000 0.000 0.000) 0.000 9.003 ( 0.000 0.000 0.000) 0.000 9.040 ( 0.000 0.000 0.000) 0.000 9.040 ( 0.000 0.000 0.000) 0.000 9.461 ( 0.000 0.000 0.000) 0.000 9.461 ( 0.000 0.000 0.000) 0.000 9.574 ( 0.000 0.000 0.000) 0.000 9.574 ( 0.000 0.000 0.000) 0.000 9.637 ( 0.000 0.000 0.000) 0.000 9.637 ( 0.000 0.000 0.000) 0.000 10.044 ( -0.000 -0.000 0.000) 0.000 10.044 ( -0.000 -0.000 0.000) 0.000 10.054 ( 0.000 0.000 0.000) 0.000 10.054 ( 0.000 0.000 0.000) 0.000 10.372 ( 0.000 0.000 0.000) 0.000 10.372 ( 0.000 0.000 0.000) 0.000 10.504 ( 0.000 0.000 0.000) 0.000 10.504 ( 0.000 0.000 0.000) 0.000 10.681 ( 0.000 0.000 0.000) 0.000 10.681 ( 0.000 0.000 0.000) 0.000 10.900 ( 0.000 0.000 0.000) 0.000 10.900 ( 0.000 0.000 0.000) 0.000 11.086 ( 0.000 0.000 0.000) 0.000 11.086 ( 0.000 0.000 0.000) 0.000 11.529 ( -0.000 -0.000 0.000) 0.000 11.529 ( -0.000 -0.000 0.000) 0.000 11.531 ( 0.000 0.000 0.000) 0.000 11.531 ( 0.000 0.000 0.000) 0.000 11.921 ( 0.000 0.000 0.000) 0.000 11.921 ( 0.000 0.000 0.000) 0.000 12.243 ( 0.000 0.000 0.000) 0.000 12.243 ( 0.000 0.000 0.000) 0.000 12.888 ( 0.000 0.000 0.000) 0.000 12.888 ( 0.000 0.000 0.000) 0.000 13.071 ( 0.000 0.000 0.000) 0.000 13.071 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 63 (21/60) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.418 ( 0.000 0.000 20.239) 20.239 0.521 ( 0.000 0.000 24.812) 24.812 0.840 ( 0.000 0.000 35.957) 35.957 1.485 ( 0.000 0.000 10.244) 10.244 1.791 ( 0.000 0.000 -22.990) 22.990 2.015 ( 0.000 0.000 -13.699) 13.699 2.083 ( 0.000 0.000 -14.279) 14.279 2.142 ( 0.000 0.000 -11.155) 11.155 2.155 ( 0.000 0.000 -15.287) 15.287 2.430 ( 0.000 0.000 2.742) 2.742 2.480 ( 0.000 0.000 3.916) 3.916 2.612 ( 0.000 0.000 6.993) 6.993 2.860 ( 0.000 0.000 14.541) 14.541 2.952 ( 0.000 0.000 8.379) 8.379 3.153 ( 0.000 0.000 8.853) 8.853 3.221 ( 0.000 0.000 19.315) 19.315 3.399 ( 0.000 0.000 1.319) 1.319 3.629 ( 0.000 0.000 -2.860) 2.860 3.779 ( 0.000 0.000 6.599) 6.599 3.817 ( 0.000 0.000 -11.904) 11.904 3.884 ( 0.000 0.000 -8.157) 8.157 4.529 ( 0.000 0.000 -10.456) 10.456 4.702 ( 0.000 0.000 4.556) 4.556 4.880 ( 0.000 0.000 -11.616) 11.616 4.935 ( 0.000 0.000 -4.805) 4.805 4.960 ( 0.000 0.000 0.584) 0.584 5.015 ( 0.000 0.000 -17.895) 17.895 5.171 ( 0.000 0.000 -2.802) 2.802 5.213 ( 0.000 0.000 1.070) 1.070 5.524 ( 0.000 0.000 -0.147) 0.147 5.580 ( 0.000 0.000 -4.465) 4.465 5.715 ( 0.000 0.000 7.569) 7.569 5.759 ( 0.000 0.000 14.483) 14.483 5.844 ( 0.000 0.000 1.421) 1.421 5.960 ( 0.000 0.000 11.929) 11.929 6.091 ( 0.000 0.000 -8.929) 8.929 6.153 ( 0.000 0.000 1.480) 1.480 6.409 ( 0.000 0.000 -3.353) 3.353 6.643 ( 0.000 0.000 4.013) 4.013 6.894 ( 0.000 0.000 -2.221) 2.221 7.499 ( 0.000 0.000 2.986) 2.986 7.707 ( 0.000 0.000 -1.480) 1.480 7.847 ( 0.000 0.000 3.574) 3.574 8.239 ( 0.000 0.000 -5.383) 5.383 8.589 ( 0.000 0.000 0.606) 0.606 8.652 ( 0.000 0.000 3.842) 3.842 8.683 ( 0.000 0.000 0.264) 0.264 8.695 ( 0.000 0.000 3.507) 3.507 8.938 ( 0.000 0.000 1.968) 1.968 8.976 ( 0.000 0.000 -0.373) 0.373 9.045 ( 0.000 0.000 -1.304) 1.304 9.127 ( 0.000 0.000 -1.415) 1.415 9.374 ( 0.000 0.000 1.105) 1.105 9.632 ( 0.000 0.000 -2.314) 2.314 9.705 ( 0.000 0.000 1.811) 1.811 9.712 ( 0.000 0.000 0.961) 0.961 9.803 ( 0.000 0.000 -1.355) 1.355 9.860 ( 0.000 0.000 -2.141) 2.141 9.885 ( 0.000 0.000 4.998) 4.998 10.042 ( 0.000 0.000 4.693) 4.693 10.228 ( 0.000 0.000 -2.917) 2.917 10.262 ( 0.000 0.000 -1.066) 1.066 10.415 ( 0.000 0.000 0.999) 0.999 10.520 ( 0.000 0.000 -0.645) 0.645 10.541 ( 0.000 0.000 -1.475) 1.475 10.551 ( 0.000 0.000 -1.091) 1.091 10.853 ( 0.000 0.000 2.189) 2.189 10.969 ( 0.000 0.000 2.227) 2.227 11.071 ( 0.000 0.000 2.569) 2.569 11.164 ( 0.000 0.000 -4.330) 4.330 11.219 ( 0.000 0.000 0.004) 0.004 11.435 ( 0.000 0.000 -2.946) 2.946 11.539 ( 0.000 0.000 0.661) 0.661 11.582 ( 0.000 0.000 3.588) 3.588 11.590 ( 0.000 0.000 -0.556) 0.556 11.636 ( 0.000 0.000 3.319) 3.319 11.952 ( 0.000 0.000 -4.194) 4.194 11.956 ( 0.000 0.000 -5.343) 5.343 12.112 ( 0.000 0.000 0.235) 0.235 12.114 ( 0.000 0.000 -1.291) 1.291 12.304 ( 0.000 0.000 1.748) 1.748 12.320 ( 0.000 0.000 3.903) 3.903 12.414 ( 0.000 0.000 -1.535) 1.535 12.572 ( 0.000 0.000 -2.362) 2.362 ======================= Grid point 64 (22/60) ======================= q-point: ( 0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.574 ( 12.610 0.000 13.550) 18.510 0.624 ( 11.197 0.000 16.762) 20.157 1.169 ( 24.758 0.000 24.349) 34.725 1.479 ( -0.961 0.000 9.298) 9.348 1.773 ( -3.216 0.000 -15.173) 15.511 1.975 ( -1.325 0.000 -18.899) 18.946 2.099 ( 3.343 0.000 -13.100) 13.520 2.173 ( 2.109 0.000 -10.516) 10.725 2.197 ( 2.688 0.000 -15.392) 15.625 2.472 ( 4.245 0.000 4.039) 5.860 2.588 ( 7.276 0.000 6.830) 9.980 2.713 ( 10.091 0.000 2.098) 10.307 2.795 ( -5.966 0.000 13.164) 14.453 2.930 ( -2.236 0.000 8.499) 8.789 3.143 ( 0.123 0.000 9.213) 9.214 3.192 ( -2.688 0.000 18.117) 18.315 3.390 ( -1.266 0.000 2.398) 2.712 3.641 ( 0.594 0.000 -1.345) 1.470 3.705 ( -5.762 0.000 5.876) 8.230 3.808 ( -1.679 0.000 -10.030) 10.169 3.903 ( 1.879 0.000 -9.222) 9.411 4.460 ( -5.993 0.000 -10.241) 11.866 4.714 ( 0.287 0.000 6.771) 6.777 4.799 ( -5.749 0.000 -0.830) 5.809 4.863 ( -5.165 0.000 -7.045) 8.735 4.924 ( -2.418 0.000 -21.055) 21.193 5.124 ( 6.538 0.000 -5.137) 8.314 5.223 ( 4.941 0.000 -0.853) 5.014 5.250 ( 2.643 0.000 0.359) 2.668 5.535 ( 0.800 0.000 -0.152) 0.814 5.610 ( 3.239 0.000 0.139) 3.242 5.703 ( -0.546 0.000 7.469) 7.489 5.813 ( 2.675 0.000 11.861) 12.159 5.896 ( 3.874 0.000 -0.525) 3.910 5.908 ( -4.434 0.000 14.411) 15.077 5.993 ( -2.112 0.000 7.354) 7.652 6.063 ( -2.357 0.000 -6.157) 6.593 6.390 ( -2.410 0.000 -4.120) 4.773 6.608 ( -3.260 0.000 2.282) 3.979 6.789 ( -9.473 0.000 -1.560) 9.601 7.509 ( 1.304 0.000 3.029) 3.297 7.809 ( 6.166 0.000 -6.840) 9.209 7.849 ( -0.330 0.000 3.355) 3.371 8.210 ( -2.717 0.000 -4.999) 5.690 8.556 ( -2.263 0.000 2.323) 3.243 8.584 ( -4.235 0.000 4.371) 6.087 8.701 ( -1.234 0.000 5.466) 5.604 8.728 ( 2.364 0.000 0.436) 2.404 8.891 ( -4.306 0.000 3.919) 5.822 8.923 ( -0.318 0.000 -0.731) 0.797 9.110 ( 4.521 0.000 -2.437) 5.137 9.153 ( 0.601 0.000 -3.207) 3.263 9.379 ( 1.027 0.000 2.422) 2.631 9.562 ( -8.023 0.000 10.181) 12.962 9.633 ( -0.034 0.000 -0.249) 0.251 9.735 ( 2.257 0.000 -0.033) 2.257 9.772 ( -4.219 0.000 1.359) 4.433 9.800 ( -1.573 0.000 -2.159) 2.671 9.980 ( 5.456 0.000 1.609) 5.688 9.981 ( -3.963 0.000 3.179) 5.080 10.158 ( -4.149 0.000 3.215) 5.249 10.271 ( 3.599 0.000 -3.511) 5.028 10.364 ( -4.688 0.000 1.984) 5.091 10.431 ( -3.995 0.000 0.467) 4.022 10.461 ( -6.253 0.000 0.912) 6.319 10.563 ( -1.649 0.000 -2.300) 2.830 10.901 ( -6.264 0.000 2.858) 6.885 10.919 ( 7.222 0.000 3.544) 8.044 11.135 ( 2.631 0.000 -0.380) 2.659 11.183 ( -0.814 0.000 2.018) 2.176 11.246 ( 5.279 0.000 -3.617) 6.399 11.424 ( -1.419 0.000 -0.888) 1.674 11.531 ( -0.969 0.000 0.519) 1.100 11.563 ( -1.181 0.000 0.855) 1.457 11.594 ( 0.857 0.000 -1.530) 1.754 11.691 ( 4.870 0.000 2.719) 5.577 11.835 ( -3.639 0.000 3.509) 5.056 11.965 ( 1.179 0.000 -3.817) 3.995 11.982 ( -4.604 0.000 0.218) 4.609 12.161 ( -1.446 0.000 -3.175) 3.489 12.264 ( -0.647 0.000 2.068) 2.167 12.314 ( -0.639 0.000 4.105) 4.154 12.579 ( 0.681 0.000 -2.436) 2.529 12.646 ( 6.706 0.000 -11.219) 13.070 ======================= Grid point 65 (23/60) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( 14.367 0.000 6.731) 15.866 0.944 ( 16.531 0.000 1.563) 16.605 1.407 ( -5.607 0.000 9.514) 11.043 1.622 ( -10.439 0.000 -4.801) 11.490 1.687 ( 21.443 0.000 9.639) 23.510 1.995 ( 1.918 0.000 -22.090) 22.173 2.203 ( 2.879 0.000 -9.852) 10.264 2.235 ( 6.059 0.000 -12.901) 14.253 2.244 ( 1.483 0.000 -14.162) 14.239 2.571 ( 5.245 0.000 4.962) 7.220 2.620 ( -10.306 0.000 10.118) 14.442 2.791 ( 11.217 0.000 12.161) 16.545 2.852 ( -5.302 0.000 7.239) 8.973 2.952 ( 10.961 0.000 -0.620) 10.978 3.110 ( -5.061 0.000 14.585) 15.438 3.206 ( 6.267 0.000 9.919) 11.733 3.331 ( -4.514 0.000 5.662) 7.241 3.557 ( -8.304 0.000 9.408) 12.548 3.650 ( 0.780 0.000 -1.314) 1.528 3.753 ( -3.059 0.000 -10.745) 11.172 3.971 ( 4.678 0.000 -9.486) 10.576 4.292 ( -9.409 0.000 -9.989) 13.723 4.682 ( -2.896 0.000 13.736) 14.038 4.687 ( -4.154 0.000 4.425) 6.070 4.798 ( -0.417 0.000 -16.728) 16.733 4.867 ( -2.746 0.000 -20.675) 20.856 5.232 ( 3.882 0.000 -3.562) 5.268 5.299 ( 1.508 0.000 -0.944) 1.778 5.359 ( 6.816 0.000 2.377) 7.218 5.527 ( -1.826 0.000 4.113) 4.500 5.689 ( 2.275 0.000 3.268) 3.982 5.723 ( 2.142 0.000 3.029) 3.710 5.847 ( 6.219 0.000 5.237) 8.130 5.930 ( -2.033 0.000 -3.684) 4.208 5.976 ( 2.391 0.000 7.147) 7.536 6.023 ( 6.556 0.000 5.411) 8.501 6.044 ( 1.905 0.000 0.662) 2.017 6.337 ( -1.468 0.000 -4.981) 5.193 6.502 ( -8.517 0.000 -0.481) 8.531 6.533 ( -12.195 0.000 -0.450) 12.203 7.564 ( 4.143 0.000 3.097) 5.173 7.804 ( -4.330 0.000 2.984) 5.258 7.923 ( 5.001 0.000 -7.118) 8.699 8.132 ( -4.433 0.000 -5.039) 6.711 8.510 ( -2.354 0.000 5.737) 6.201 8.511 ( -1.820 0.000 5.376) 5.676 8.663 ( -1.216 0.000 7.005) 7.110 8.718 ( -2.465 0.000 6.288) 6.754 8.880 ( 1.915 0.000 -2.357) 3.037 8.921 ( -0.279 0.000 -2.339) 2.356 9.144 ( -0.665 0.000 -2.430) 2.519 9.173 ( 0.522 0.000 -5.056) 5.083 9.459 ( 6.739 0.000 3.420) 7.557 9.482 ( -0.250 0.000 6.125) 6.130 9.619 ( -1.334 0.000 1.287) 1.854 9.697 ( -1.162 0.000 2.017) 2.328 9.748 ( -2.856 0.000 -0.986) 3.021 9.803 ( 3.339 0.000 -0.527) 3.381 9.902 ( -4.396 0.000 1.290) 4.581 10.032 ( -9.026 0.000 -0.436) 9.036 10.106 ( 6.277 0.000 1.802) 6.531 10.256 ( -2.971 0.000 5.726) 6.451 10.306 ( -1.411 0.000 -2.627) 2.982 10.363 ( -3.872 0.000 1.034) 4.007 10.445 ( 6.260 0.000 -1.026) 6.344 10.558 ( 2.760 0.000 -0.405) 2.790 10.749 ( -7.724 0.000 0.509) 7.741 10.982 ( -11.657 0.000 -2.001) 11.827 11.117 ( 10.380 0.000 2.830) 10.759 11.280 ( 4.098 0.000 2.219) 4.660 11.326 ( 2.246 0.000 -0.919) 2.427 11.406 ( -0.021 0.000 1.136) 1.137 11.498 ( -1.995 0.000 1.004) 2.234 11.514 ( -4.088 0.000 0.876) 4.181 11.630 ( 2.340 0.000 -3.193) 3.959 11.760 ( -4.263 0.000 -2.197) 4.796 11.822 ( 6.785 0.000 -0.100) 6.786 11.937 ( 0.375 0.000 -0.187) 0.419 11.996 ( 1.661 0.000 -3.120) 3.534 12.110 ( -3.106 0.000 -2.810) 4.188 12.254 ( -0.235 0.000 4.064) 4.071 12.292 ( -1.383 0.000 4.844) 5.038 12.603 ( 1.643 0.000 -2.813) 3.258 12.687 ( -0.991 0.000 -6.771) 6.843 ======================= Grid point 66 (24/60) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( -4.237 0.000 -0.053) 4.237 1.125 ( 4.237 0.000 -0.053) 4.237 1.377 ( -9.617 0.000 3.627) 10.278 1.377 ( 9.617 0.000 3.627) 10.278 1.984 ( -5.066 0.000 -11.462) 12.532 1.984 ( 5.066 0.000 -11.462) 12.532 2.246 ( -0.701 0.000 -8.084) 8.114 2.246 ( 0.701 0.000 -8.084) 8.114 2.394 ( -9.490 0.000 -1.932) 9.685 2.394 ( 9.490 0.000 -1.932) 9.685 2.711 ( -7.566 0.000 5.572) 9.397 2.711 ( 7.566 0.000 5.572) 9.397 2.983 ( -5.204 0.000 12.559) 13.594 2.983 ( 5.204 0.000 12.559) 13.594 3.184 ( -9.584 0.000 4.516) 10.595 3.184 ( 9.584 0.000 4.516) 10.595 3.370 ( -7.587 0.000 11.195) 13.524 3.370 ( 7.587 0.000 11.195) 13.524 3.690 ( -2.158 0.000 -7.025) 7.349 3.690 ( 2.158 0.000 -7.025) 7.349 4.102 ( -4.013 0.000 -9.383) 10.205 4.102 ( 4.013 0.000 -9.383) 10.205 4.643 ( -0.003 0.000 9.595) 9.595 4.643 ( 0.003 0.000 9.595) 9.595 4.817 ( -0.594 0.000 -18.974) 18.984 4.817 ( 0.594 0.000 -18.974) 18.984 5.295 ( -0.426 0.000 -1.611) 1.667 5.295 ( 0.426 0.000 -1.611) 1.667 5.471 ( -3.250 0.000 5.185) 6.119 5.471 ( 3.250 0.000 5.185) 6.119 5.731 ( -0.582 0.000 -1.241) 1.371 5.731 ( 0.582 0.000 -1.241) 1.371 5.902 ( -0.030 0.000 4.185) 4.185 5.902 ( 0.030 0.000 4.185) 4.185 6.074 ( -0.257 0.000 0.703) 0.749 6.074 ( 0.257 0.000 0.703) 0.749 6.205 ( -13.658 0.000 3.238) 14.036 6.205 ( 13.658 0.000 3.238) 14.036 6.380 ( -5.500 0.000 -3.936) 6.763 6.380 ( 5.500 0.000 -3.936) 6.763 7.681 ( -6.275 0.000 3.046) 6.975 7.681 ( 6.275 0.000 3.046) 6.975 8.030 ( -5.123 0.000 -6.148) 8.003 8.030 ( 5.123 0.000 -6.148) 8.003 8.488 ( -0.006 0.000 6.866) 6.866 8.488 ( 0.006 0.000 6.866) 6.866 8.670 ( -0.708 0.000 6.812) 6.849 8.670 ( 0.708 0.000 6.812) 6.849 8.910 ( -0.256 0.000 -3.023) 3.034 8.910 ( 0.256 0.000 -3.023) 3.034 9.153 ( -0.213 0.000 -3.488) 3.495 9.153 ( 0.213 0.000 -3.488) 3.495 9.512 ( -1.144 0.000 1.954) 2.264 9.512 ( 1.144 0.000 1.954) 2.264 9.683 ( -4.334 0.000 -0.559) 4.370 9.683 ( 4.334 0.000 -0.559) 4.370 9.747 ( -8.011 0.000 3.954) 8.934 9.747 ( 8.011 0.000 3.954) 8.934 9.880 ( -4.382 0.000 -0.198) 4.386 9.880 ( 4.382 0.000 -0.198) 4.386 10.215 ( -1.842 0.000 3.630) 4.071 10.215 ( 1.842 0.000 3.630) 4.071 10.293 ( -0.509 0.000 -0.355) 0.621 10.293 ( 0.509 0.000 -0.355) 0.621 10.592 ( -5.512 0.000 -1.768) 5.789 10.592 ( 5.512 0.000 -1.768) 5.789 10.719 ( -11.401 0.000 -0.617) 11.418 10.719 ( 11.401 0.000 -0.617) 11.418 11.299 ( -1.662 0.000 1.475) 2.222 11.299 ( 1.662 0.000 1.475) 2.222 11.370 ( -3.845 0.000 1.141) 4.011 11.370 ( 3.845 0.000 1.141) 4.011 11.457 ( -0.878 0.000 1.911) 2.103 11.457 ( 0.878 0.000 1.911) 2.103 11.685 ( -0.672 0.000 -3.933) 3.990 11.685 ( 0.672 0.000 -3.933) 3.990 11.930 ( -0.520 0.000 -1.953) 2.021 11.930 ( 0.520 0.000 -1.953) 2.021 12.041 ( -1.277 0.000 -2.614) 2.910 12.041 ( 1.277 0.000 -2.614) 2.910 12.263 ( -0.554 0.000 5.525) 5.552 12.263 ( 0.554 0.000 5.525) 5.552 12.646 ( -1.866 0.000 -3.999) 4.413 12.646 ( 1.866 0.000 -3.999) 4.413 ======================= Grid point 70 (25/60) ======================= q-point: ( 0.00 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.627 ( 0.000 10.258 19.549) 22.077 0.743 ( 0.000 18.659 17.178) 25.362 1.193 ( 0.000 34.234 16.236) 37.889 1.556 ( 0.000 8.344 10.123) 13.118 1.819 ( 0.000 1.971 -16.563) 16.680 2.008 ( 0.000 1.703 -16.451) 16.539 2.068 ( 0.000 -2.141 -11.302) 11.502 2.145 ( 0.000 -0.151 -11.812) 11.813 2.216 ( 0.000 5.086 -7.680) 9.211 2.431 ( 0.000 0.820 1.026) 1.314 2.524 ( 0.000 4.933 0.138) 4.935 2.597 ( 0.000 -1.302 6.410) 6.541 2.845 ( 0.000 -1.342 11.947) 12.022 2.866 ( 0.000 -6.125 7.891) 9.989 3.210 ( 0.000 2.363 2.862) 3.711 3.211 ( 0.000 -0.945 17.785) 17.810 3.486 ( 0.000 9.003 7.742) 11.874 3.527 ( 0.000 -6.851 -6.432) 9.397 3.776 ( 0.000 -0.284 5.043) 5.051 3.835 ( 0.000 -0.092 -4.125) 4.126 3.949 ( 0.000 4.433 -4.872) 6.587 4.453 ( 0.000 -7.817 -8.237) 11.355 4.647 ( 0.000 -4.312 -5.539) 7.020 4.792 ( 0.000 -6.779 11.109) 13.014 4.794 ( 0.000 -9.497 -9.412) 13.371 4.967 ( 0.000 -2.075 -18.439) 18.555 5.062 ( 0.000 1.976 0.118) 1.979 5.207 ( 0.000 4.071 -11.660) 12.350 5.251 ( 0.000 1.582 0.423) 1.637 5.510 ( 0.000 -0.861 -0.901) 1.246 5.523 ( 0.000 -6.565 -1.571) 6.750 5.671 ( 0.000 -11.849 6.453) 13.492 5.710 ( 0.000 4.221 7.334) 8.462 5.927 ( 0.000 -7.110 1.395) 7.245 5.938 ( 0.000 12.277 11.899) 17.097 6.008 ( 0.000 -1.219 9.113) 9.194 6.223 ( 0.000 6.958 -1.177) 7.057 6.364 ( 0.000 -4.374 -2.492) 5.034 6.624 ( 0.000 -2.105 4.275) 4.765 6.874 ( 0.000 -1.799 -1.794) 2.540 7.485 ( 0.000 -0.806 3.227) 3.326 7.727 ( 0.000 2.090 -1.774) 2.741 7.893 ( 0.000 3.896 0.749) 3.967 8.178 ( 0.000 -6.303 -5.426) 8.317 8.525 ( 0.000 -3.890 3.529) 5.252 8.564 ( 0.000 -3.927 0.108) 3.929 8.751 ( 0.000 2.208 2.525) 3.354 8.767 ( 0.000 4.271 -0.218) 4.277 8.932 ( 0.000 -0.644 1.510) 1.642 8.936 ( 0.000 -1.785 1.107) 2.100 9.102 ( 0.000 3.057 -0.945) 3.200 9.154 ( 0.000 2.952 -0.644) 3.021 9.336 ( 0.000 -3.456 2.500) 4.266 9.581 ( 0.000 -5.884 6.947) 9.104 9.669 ( 0.000 -1.073 0.072) 1.075 9.681 ( 0.000 -2.044 2.249) 3.039 9.818 ( 0.000 0.378 -0.973) 1.044 9.864 ( 0.000 -1.067 3.771) 3.919 9.876 ( 0.000 0.549 -4.024) 4.061 10.040 ( 0.000 -0.416 4.772) 4.790 10.183 ( 0.000 -4.494 1.586) 4.765 10.192 ( 0.000 -5.919 -0.413) 5.933 10.362 ( 0.000 -9.943 5.080) 11.165 10.410 ( 0.000 0.198 0.837) 0.860 10.623 ( 0.000 7.997 -1.516) 8.139 10.627 ( 0.000 4.540 -0.320) 4.552 10.779 ( 0.000 -5.478 1.047) 5.577 10.955 ( 0.000 -6.819 6.194) 9.212 11.005 ( 0.000 -10.258 10.691) 14.817 11.039 ( 0.000 -4.072 -2.115) 4.588 11.134 ( 0.000 -5.600 -1.550) 5.811 11.190 ( 0.000 1.001 2.240) 2.453 11.471 ( 0.000 1.189 -0.745) 1.403 11.546 ( 0.000 -3.614 -1.040) 3.761 11.586 ( 0.000 0.212 2.574) 2.582 11.713 ( 0.000 5.383 0.745) 5.434 11.818 ( 0.000 -8.660 -3.644) 9.396 12.015 ( 0.000 3.434 -5.383) 6.385 12.209 ( 0.000 0.730 -0.349) 0.809 12.220 ( 0.000 3.653 -0.364) 3.671 12.323 ( 0.000 4.506 1.512) 4.753 12.360 ( 0.000 6.706 5.230) 8.504 12.476 ( 0.000 7.187 -2.061) 7.477 13.150 ( 0.000 25.478 -28.955) 38.568 ======================= Grid point 71 (26/60) ======================= q-point: ( 0.17 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( 10.743 10.991 12.618) 19.885 0.917 ( 10.894 21.428 11.369) 26.592 1.362 ( 15.796 21.552 15.090) 30.687 1.566 ( 0.018 9.330 8.283) 12.476 1.784 ( -4.058 0.847 -11.145) 11.891 2.021 ( 1.494 4.221 -18.679) 19.208 2.098 ( 3.770 -0.395 -9.765) 10.475 2.163 ( 2.524 1.350 -12.472) 12.796 2.252 ( 2.328 3.383 -9.217) 10.091 2.485 ( 4.135 1.643 1.628) 4.738 2.597 ( 5.973 1.170 5.428) 8.155 2.690 ( 7.982 -1.434 2.409) 8.460 2.784 ( -4.440 -1.413 8.977) 10.114 2.889 ( 1.737 -1.964 8.526) 8.920 3.169 ( -2.452 -0.718 11.223) 11.510 3.224 ( 0.327 3.177 10.728) 11.193 3.417 ( -4.120 2.493 2.771) 5.556 3.568 ( 0.602 -2.598 -0.323) 2.686 3.708 ( -4.710 0.020 3.762) 6.028 3.839 ( -0.360 0.680 -3.014) 3.111 3.939 ( -0.965 2.720 -5.428) 6.147 4.377 ( -5.945 -7.622 -5.903) 11.327 4.660 ( -0.308 -6.306 -5.636) 8.463 4.721 ( -1.749 -3.241 2.868) 4.668 4.844 ( 0.148 -6.878 -5.962) 9.103 4.937 ( -2.809 1.409 -15.736) 16.047 5.089 ( 0.567 -0.124 -7.454) 7.477 5.183 ( 3.405 -1.658 1.437) 4.050 5.321 ( 3.170 2.645 -3.500) 5.412 5.529 ( 1.214 -3.966 1.204) 4.318 5.589 ( 6.170 -1.279 0.572) 6.328 5.652 ( -0.929 -6.587 4.946) 8.290 5.751 ( 3.498 0.704 4.685) 5.889 5.893 ( -2.403 -2.436 5.799) 6.733 5.936 ( 0.540 6.273 9.092) 11.059 6.009 ( 0.951 2.837 4.072) 5.053 6.178 ( -2.718 6.901 1.115) 7.501 6.346 ( -1.841 -3.749 -2.491) 4.863 6.584 ( -3.677 -2.601 2.619) 5.210 6.772 ( -9.305 -1.514 -1.121) 9.494 7.492 ( 1.308 -0.984 3.725) 4.069 7.801 ( 5.012 0.263 -3.951) 6.388 7.889 ( -0.814 3.067 0.081) 3.174 8.156 ( -1.910 -5.490 -5.300) 7.866 8.486 ( -2.092 -3.346 3.574) 5.324 8.592 ( 0.692 -3.525 2.672) 4.477 8.671 ( -3.994 2.614 2.591) 5.431 8.822 ( -3.075 2.180 3.849) 5.387 8.840 ( 1.352 0.424 -0.667) 1.566 8.996 ( -1.084 2.350 0.213) 2.597 9.067 ( 0.587 -1.936 -2.079) 2.900 9.190 ( 1.851 2.471 -1.675) 3.512 9.354 ( 2.137 -1.984 3.774) 4.769 9.513 ( -3.878 -3.119 9.583) 10.798 9.649 ( -0.988 0.413 0.045) 1.072 9.705 ( 1.474 -2.302 0.419) 2.765 9.771 ( -3.229 0.746 0.994) 3.460 9.847 ( -0.665 2.304 -2.751) 3.649 9.964 ( 5.290 -1.302 0.522) 5.473 9.984 ( -3.599 0.210 3.040) 4.716 10.127 ( -2.434 -3.189 2.370) 4.659 10.243 ( 0.971 -5.039 -0.708) 5.181 10.319 ( -0.762 -1.807 3.746) 4.228 10.421 ( -2.593 -1.152 -0.499) 2.881 10.486 ( -4.704 2.943 0.428) 5.565 10.597 ( -5.866 2.396 -2.201) 6.708 10.808 ( -0.086 -5.661 2.397) 6.148 10.942 ( 1.092 -1.893 3.720) 4.314 11.069 ( 5.399 -9.774 3.600) 11.732 11.103 ( 2.688 -5.489 -2.121) 6.469 11.178 ( 3.707 -4.124 1.550) 5.758 11.287 ( 6.575 -3.446 0.919) 7.480 11.409 ( -4.238 -1.543 0.241) 4.516 11.548 ( -0.468 -5.252 -1.007) 5.368 11.574 ( -0.593 0.055 1.901) 1.992 11.697 ( -1.271 3.727 1.200) 4.116 11.853 ( 2.674 -4.774 -3.498) 6.494 11.996 ( -0.514 5.346 -3.634) 6.484 12.137 ( -4.302 5.756 0.388) 7.196 12.234 ( -0.517 2.032 -0.858) 2.265 12.307 ( -0.191 6.246 1.824) 6.509 12.386 ( 0.436 8.353 3.498) 9.066 12.517 ( 3.599 2.648 -2.185) 4.974 13.026 ( -8.855 21.141 -17.760) 28.996 ======================= Grid point 72 (27/60) ======================= q-point: ( 0.33 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( 13.547 9.012 3.455) 16.634 1.138 ( 10.510 19.813 6.075) 23.236 1.495 ( -5.172 7.480 7.191) 11.593 1.649 ( -7.993 3.764 -4.280) 9.817 1.766 ( 17.537 8.845 6.319) 20.633 2.058 ( 1.302 6.126 -18.747) 19.765 2.213 ( 3.832 1.764 -6.303) 7.584 2.242 ( 5.561 1.025 -11.652) 12.952 2.305 ( 3.359 4.944 -12.544) 13.895 2.557 ( 1.166 -0.679 2.149) 2.537 2.649 ( -4.896 2.640 8.331) 10.017 2.766 ( 4.610 -2.596 7.995) 9.587 2.827 ( 5.770 -0.326 8.054) 9.912 2.985 ( 6.344 1.223 -1.120) 6.557 3.121 ( -1.304 0.658 14.833) 14.905 3.239 ( 0.990 2.638 7.752) 8.248 3.337 ( -2.737 1.299 5.430) 6.218 3.498 ( -6.045 -3.529 6.559) 9.592 3.653 ( -0.844 0.343 -0.831) 1.233 3.767 ( -6.127 0.393 -5.568) 8.288 3.956 ( 2.768 -1.668 -3.614) 4.848 4.251 ( -5.315 -3.899 -3.042) 7.260 4.627 ( -1.519 -4.901 1.300) 5.293 4.719 ( -0.000 1.129 -2.548) 2.787 4.786 ( -3.871 -1.941 -12.379) 13.115 4.875 ( -2.658 1.476 -15.452) 15.748 5.131 ( 3.208 -6.812 -6.802) 10.147 5.292 ( 4.476 -0.785 3.750) 5.892 5.384 ( 3.570 0.375 -0.711) 3.659 5.544 ( -0.100 -0.683 3.358) 3.428 5.638 ( -1.002 -4.417 -0.832) 4.605 5.726 ( 3.286 1.312 1.876) 4.005 5.854 ( 8.377 -1.548 2.218) 8.803 5.880 ( 1.841 1.129 5.023) 5.467 5.990 ( 2.101 -0.235 3.971) 4.499 6.031 ( 2.702 3.313 5.092) 6.649 6.137 ( -0.657 4.281 2.418) 4.961 6.307 ( -1.013 -2.453 -2.453) 3.614 6.474 ( -7.140 -3.114 -0.311) 7.795 6.514 ( -13.901 -1.477 0.325) 13.983 7.553 ( 4.584 -0.594 3.488) 5.791 7.817 ( -4.993 0.952 1.588) 5.325 7.916 ( 4.729 -0.367 -6.008) 7.655 8.104 ( -3.176 -2.767 -5.759) 7.135 8.456 ( -0.676 -2.421 5.048) 5.640 8.568 ( -2.386 1.805 6.304) 6.978 8.616 ( -0.757 -1.977 4.111) 4.624 8.729 ( -4.081 -0.651 4.623) 6.201 8.897 ( 2.292 2.666 -1.341) 3.763 8.956 ( -1.632 1.760 -1.436) 2.797 9.070 ( -0.742 -4.580 -4.569) 6.512 9.220 ( 0.522 2.109 -1.973) 2.934 9.441 ( 4.362 -1.164 3.788) 5.894 9.490 ( 2.977 0.414 5.525) 6.289 9.616 ( -2.021 -0.530 1.954) 2.861 9.706 ( -0.495 -0.150 0.783) 0.938 9.741 ( -0.269 0.247 0.528) 0.642 9.838 ( 0.365 2.712 -1.467) 3.104 9.910 ( -3.755 0.587 1.332) 4.027 10.016 ( -6.699 -1.703 -0.285) 6.918 10.100 ( 5.105 -0.740 1.757) 5.449 10.215 ( -1.450 -3.626 4.418) 5.896 10.305 ( -3.641 0.235 0.082) 3.650 10.356 ( -0.801 -0.253 -1.158) 1.431 10.475 ( 2.955 1.982 -0.502) 3.593 10.541 ( 2.148 -1.260 -0.662) 2.577 10.721 ( -5.884 -2.423 0.735) 6.405 10.958 ( -10.187 -2.628 -2.082) 10.725 11.066 ( 6.568 -5.503 0.656) 8.594 11.204 ( 3.606 -9.212 1.780) 10.052 11.277 ( 2.929 -5.283 0.455) 6.058 11.349 ( -0.337 -4.987 0.203) 5.003 11.407 ( 4.243 -1.197 1.446) 4.640 11.517 ( -2.246 -2.584 -0.131) 3.427 11.563 ( -0.834 -2.918 -0.443) 3.067 11.674 ( -0.598 -0.353 3.092) 3.169 11.909 ( 2.304 0.168 -3.950) 4.576 12.015 ( 1.530 4.908 -0.574) 5.173 12.064 ( -1.597 6.053 -3.072) 6.973 12.202 ( -2.356 2.925 -1.252) 3.959 12.316 ( 1.000 8.360 3.218) 9.014 12.376 ( -1.095 9.874 3.389) 10.497 12.605 ( 4.550 2.747 -2.908) 6.058 12.851 ( -7.392 12.816 -8.303) 16.965 ======================= Grid point 73 (28/60) ======================= q-point: (-0.50 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( 0.000 11.826 -2.978) 12.195 1.290 ( 0.000 9.487 4.633) 10.558 1.406 ( 0.000 3.586 6.913) 7.788 1.502 ( 0.000 12.930 0.314) 12.934 2.007 ( 0.000 3.661 -11.875) 12.427 2.049 ( 0.000 5.914 -6.121) 8.511 2.244 ( 0.000 1.270 -3.163) 3.408 2.299 ( 0.000 3.449 -11.714) 12.212 2.432 ( -0.000 4.797 -3.059) 5.689 2.441 ( 0.000 3.861 -5.367) 6.611 2.702 ( 0.000 -1.094 5.918) 6.019 2.710 ( -0.000 -0.218 3.677) 3.684 2.947 ( 0.000 0.001 13.677) 13.677 3.036 ( 0.000 1.855 9.709) 9.884 3.169 ( 0.000 -0.290 2.359) 2.377 3.219 ( 0.000 0.460 5.212) 5.232 3.335 ( 0.000 1.159 10.452) 10.516 3.393 ( 0.000 -0.259 10.455) 10.458 3.650 ( 0.000 -1.892 -3.892) 4.327 3.674 ( 0.000 -1.705 -7.308) 7.504 4.004 ( 0.000 -3.387 -2.021) 3.944 4.182 ( 0.000 0.075 -1.929) 1.930 4.613 ( 0.000 -0.267 0.865) 0.905 4.699 ( 0.000 -0.484 -1.238) 1.329 4.758 ( 0.000 -1.732 -14.087) 14.193 4.839 ( 0.000 0.832 -16.617) 16.638 5.175 ( 0.000 -7.328 -5.532) 9.181 5.334 ( 0.000 0.104 2.416) 2.418 5.455 ( 0.000 -1.568 -1.426) 2.120 5.521 ( 0.000 4.257 10.620) 11.441 5.619 ( 0.000 -6.993 -8.907) 11.324 5.745 ( 0.000 -0.177 2.672) 2.678 5.901 ( 0.000 1.351 6.994) 7.123 5.972 ( 0.000 1.506 3.971) 4.247 6.043 ( 0.000 0.797 -0.547) 0.967 6.143 ( -0.000 3.457 3.162) 4.685 6.177 ( -0.000 -1.444 2.535) 2.917 6.200 ( 0.000 -0.704 4.343) 4.400 6.334 ( -0.000 -4.100 -3.689) 5.515 6.357 ( 0.000 -2.652 -2.072) 3.365 7.666 ( 0.000 -0.425 2.275) 2.314 7.694 ( -0.000 0.546 3.057) 3.105 8.016 ( -0.000 -1.359 -5.793) 5.950 8.021 ( 0.000 -0.543 -6.541) 6.564 8.451 ( 0.000 -1.735 6.050) 6.293 8.538 ( 0.000 2.801 7.367) 7.881 8.622 ( 0.000 -2.741 5.390) 6.047 8.672 ( 0.000 -1.541 3.896) 4.190 8.923 ( 0.000 2.629 -0.187) 2.636 8.936 ( 0.000 0.822 -3.026) 3.136 9.061 ( 0.000 -4.885 -5.630) 7.454 9.221 ( 0.000 2.363 -1.384) 2.738 9.480 ( 0.000 -1.459 2.040) 2.507 9.534 ( 0.000 0.514 2.928) 2.973 9.656 ( 0.000 -2.059 -0.622) 2.151 9.687 ( -0.000 -0.347 0.657) 0.743 9.770 ( 0.000 2.137 3.593) 4.181 9.781 ( -0.000 2.731 3.004) 4.060 9.880 ( 0.000 -0.256 -0.303) 0.397 9.898 ( -0.000 1.813 0.169) 1.821 10.177 ( 0.000 -1.762 3.208) 3.660 10.195 ( -0.000 -4.602 2.956) 5.470 10.275 ( -0.000 1.301 -0.843) 1.550 10.327 ( 0.000 1.420 0.068) 1.422 10.535 ( 0.000 -2.820 -2.200) 3.576 10.614 ( 0.000 -1.172 0.084) 1.175 10.684 ( 0.000 -1.147 -1.735) 2.080 10.740 ( -0.000 0.806 -1.346) 1.569 11.155 ( 0.000 -9.774 0.263) 9.777 11.241 ( 0.000 -9.382 3.511) 10.017 11.304 ( 0.000 -6.086 -2.384) 6.536 11.344 ( 0.000 -4.504 -0.817) 4.577 11.472 ( 0.000 3.372 3.181) 4.636 11.474 ( -0.000 1.290 1.075) 1.680 11.548 ( 0.000 -5.544 -2.033) 5.905 11.668 ( 0.000 -3.365 3.787) 5.066 11.936 ( 0.000 3.108 -4.858) 5.767 12.019 ( 0.000 2.417 0.938) 2.593 12.078 ( 0.000 4.099 -5.206) 6.626 12.162 ( 0.000 4.367 -1.226) 4.535 12.342 ( 0.000 11.081 3.618) 11.657 12.349 ( 0.000 8.658 4.015) 9.544 12.699 ( 0.000 6.173 -4.781) 7.807 12.726 ( 0.000 7.175 -4.197) 8.312 ======================= Grid point 77 (29/60) ======================= q-point: ( 0.00 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.866 ( 0.000 14.179 12.069) 18.620 1.074 ( 0.000 16.727 15.125) 22.551 1.697 ( 0.000 13.331 0.829) 13.356 1.827 ( 0.000 -1.429 -6.846) 6.994 1.843 ( 0.000 9.510 2.237) 9.770 2.019 ( 0.000 9.659 1.437) 9.765 2.109 ( 0.000 7.820 -14.080) 16.106 2.223 ( 0.000 8.166 -11.750) 14.309 2.273 ( 0.000 1.294 -0.282) 1.324 2.469 ( 0.000 0.906 -5.130) 5.209 2.588 ( 0.000 1.689 3.903) 4.253 2.643 ( 0.000 6.279 -3.896) 7.390 2.778 ( 0.000 -2.021 6.350) 6.664 2.841 ( 0.000 2.411 6.278) 6.725 3.189 ( 0.000 -1.459 12.524) 12.608 3.221 ( 0.000 -0.257 0.013) 0.258 3.438 ( 0.000 -1.848 -4.650) 5.004 3.670 ( 0.000 7.186 14.054) 15.784 3.792 ( 0.000 3.740 -0.709) 3.807 3.815 ( 0.000 -1.817 1.756) 2.526 3.993 ( 0.000 1.088 0.005) 1.088 4.260 ( 0.000 -11.440 -1.417) 11.527 4.511 ( 0.000 -9.906 6.484) 11.840 4.574 ( 0.000 -12.746 -11.873) 17.419 4.775 ( 0.000 4.155 1.161) 4.314 4.923 ( 0.000 -3.244 -12.414) 12.831 5.059 ( 0.000 -0.768 -1.049) 1.300 5.221 ( 0.000 -5.896 1.976) 6.219 5.267 ( 0.000 1.463 -13.871) 13.947 5.362 ( 0.000 -6.357 3.019) 7.038 5.531 ( 0.000 2.549 -3.995) 4.739 5.550 ( 0.000 -2.081 2.145) 2.989 5.816 ( 0.000 5.501 3.336) 6.433 5.826 ( 0.000 -3.105 -2.251) 3.835 6.010 ( 0.000 0.471 3.384) 3.417 6.148 ( 0.000 7.802 8.257) 11.360 6.271 ( 0.000 -4.324 -1.158) 4.476 6.322 ( 0.000 2.792 2.677) 3.868 6.577 ( 0.000 -1.660 6.791) 6.991 6.843 ( 0.000 -1.363 -0.553) 1.471 7.482 ( 0.000 0.725 2.452) 2.557 7.778 ( 0.000 2.594 -3.185) 4.108 7.975 ( 0.000 4.570 -2.230) 5.085 8.028 ( 0.000 -8.175 -3.148) 8.760 8.464 ( 0.000 -2.846 3.369) 4.410 8.504 ( 0.000 -3.208 -1.790) 3.674 8.757 ( 0.000 -1.227 1.490) 1.930 8.809 ( 0.000 0.037 -3.497) 3.497 8.917 ( 0.000 -0.795 0.878) 1.185 8.919 ( 0.000 -0.151 1.233) 1.242 9.142 ( 0.000 1.529 4.027) 4.308 9.219 ( 0.000 1.165 1.870) 2.204 9.297 ( 0.000 2.620 4.950) 5.601 9.493 ( 0.000 -2.579 9.951) 10.280 9.638 ( 0.000 -2.454 2.678) 3.633 9.659 ( 0.000 -0.529 -1.146) 1.262 9.792 ( 0.000 -1.854 1.879) 2.640 9.870 ( 0.000 -0.917 -4.259) 4.357 9.875 ( 0.000 1.074 -0.418) 1.153 10.010 ( 0.000 -3.369 3.631) 4.953 10.082 ( 0.000 -5.114 0.049) 5.114 10.093 ( 0.000 -3.980 3.882) 5.559 10.274 ( 0.000 -0.704 -0.684) 0.982 10.407 ( 0.000 -0.875 -0.102) 0.881 10.609 ( 0.000 -6.483 0.949) 6.553 10.744 ( 0.000 1.819 -0.049) 1.820 10.751 ( 0.000 3.760 -2.129) 4.320 10.865 ( 0.000 1.265 2.910) 3.173 10.926 ( 0.000 -6.722 -3.901) 7.772 10.988 ( 0.000 1.606 3.600) 3.942 11.014 ( 0.000 -5.581 -1.058) 5.681 11.228 ( 0.000 1.281 2.476) 2.788 11.498 ( 0.000 1.297 -0.692) 1.470 11.501 ( 0.000 0.074 0.087) 0.114 11.596 ( 0.000 1.186 3.522) 3.717 11.660 ( 0.000 -7.675 -2.380) 8.036 11.781 ( 0.000 1.810 0.224) 1.824 12.048 ( 0.000 -0.088 -4.356) 4.357 12.189 ( 0.000 -2.246 0.954) 2.441 12.207 ( 0.000 -3.583 1.282) 3.805 12.472 ( 0.000 10.025 0.262) 10.028 12.531 ( 0.000 9.619 2.324) 9.896 12.693 ( 0.000 14.403 -1.803) 14.515 13.390 ( 0.000 3.695 -19.078) 19.433 ======================= Grid point 78 (30/60) ======================= q-point: ( 0.17 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( 9.513 14.060 8.475) 18.974 1.227 ( 12.104 13.588 14.999) 23.582 1.722 ( -0.087 10.345 -0.363) 10.352 1.787 ( -2.488 2.119 -4.324) 5.420 1.871 ( 3.570 11.481 1.973) 12.184 2.062 ( 4.337 5.840 -1.145) 7.364 2.167 ( 4.071 8.186 -13.011) 15.902 2.241 ( 3.076 7.252 -9.810) 12.582 2.322 ( 3.258 4.112 -3.596) 6.360 2.506 ( 2.744 -0.843 -2.717) 3.952 2.632 ( 4.847 2.603 3.000) 6.266 2.684 ( 1.960 -0.104 -1.757) 2.634 2.793 ( 1.261 4.439 5.589) 7.248 2.881 ( 4.360 1.367 3.912) 6.015 3.136 ( -2.787 -2.273 8.235) 8.986 3.255 ( 1.598 0.919 6.821) 7.066 3.420 ( -1.914 -0.404 -2.990) 3.573 3.622 ( -4.387 4.076 11.466) 12.935 3.734 ( -3.688 3.174 -1.602) 5.123 3.834 ( 0.767 -0.120 1.152) 1.389 3.962 ( -3.732 0.428 2.970) 4.789 4.218 ( -2.755 -8.395 0.802) 8.872 4.480 ( -1.828 -11.116 -0.089) 11.266 4.605 ( 1.962 -12.237 -8.274) 14.902 4.786 ( 0.863 3.717 -2.638) 4.639 4.949 ( 1.073 0.256 -12.647) 12.695 5.085 ( 0.699 -2.746 -2.904) 4.057 5.148 ( -1.619 -1.385 -3.960) 4.497 5.303 ( 2.811 -5.553 -1.173) 6.334 5.414 ( 3.520 -2.082 -0.459) 4.115 5.562 ( 1.756 -1.449 -3.236) 3.957 5.610 ( 5.734 0.532 0.472) 5.778 5.812 ( 0.285 0.417 -0.472) 0.691 5.854 ( 2.334 1.952 3.306) 4.493 6.003 ( -0.327 1.407 4.094) 4.342 6.122 ( -2.639 5.172 6.608) 8.796 6.224 ( -3.197 -1.565 -0.510) 3.596 6.316 ( -1.057 0.961 2.858) 3.195 6.525 ( -4.659 -2.353 5.834) 7.828 6.748 ( -8.689 -0.858 0.390) 8.740 7.492 ( 1.522 1.171 2.970) 3.537 7.824 ( 3.453 1.491 -3.917) 5.430 7.942 ( -3.066 1.488 -1.622) 3.774 8.035 ( 0.794 -5.008 -4.527) 6.797 8.436 ( -1.598 -2.382 2.782) 3.996 8.526 ( 0.938 -3.603 1.252) 3.928 8.708 ( -3.079 0.801 0.878) 3.300 8.809 ( -4.283 -0.181 1.939) 4.705 8.871 ( 2.268 -1.453 -4.140) 4.939 8.979 ( 1.198 -1.255 -0.358) 1.772 9.080 ( -3.763 1.613 4.135) 5.819 9.238 ( 0.687 1.729 1.025) 2.124 9.341 ( 3.781 1.813 5.332) 6.783 9.475 ( -0.775 -0.853 8.014) 8.097 9.641 ( -0.707 -1.287 0.810) 1.677 9.664 ( 0.482 -1.995 0.770) 2.192 9.769 ( -1.362 -1.212 1.504) 2.364 9.872 ( -0.213 0.590 -2.507) 2.585 9.936 ( 3.315 -2.044 -0.888) 3.994 9.978 ( -0.632 -1.238 1.272) 1.884 10.050 ( -1.417 -3.688 1.693) 4.298 10.147 ( 2.696 -3.599 3.772) 5.870 10.301 ( 2.378 -0.096 -0.242) 2.393 10.399 ( -2.242 -1.500 -0.943) 2.858 10.508 ( -5.185 -2.088 0.030) 5.590 10.628 ( -7.109 1.027 -0.443) 7.196 10.747 ( -2.098 -0.280 0.465) 2.167 10.853 ( 0.313 -3.296 2.477) 4.134 10.964 ( 2.415 -5.520 -2.874) 6.676 11.054 ( 2.739 -0.659 0.274) 2.831 11.079 ( 3.960 -4.273 -0.615) 5.858 11.255 ( 1.673 -2.404 -0.006) 2.928 11.414 ( -4.443 2.634 1.852) 5.487 11.492 ( -0.848 -0.304 -0.607) 1.087 11.573 ( -0.400 -0.936 2.013) 2.256 11.705 ( 0.019 -1.897 2.730) 3.324 11.809 ( 3.553 -0.039 -2.053) 4.103 12.047 ( 0.341 0.402 -3.109) 3.153 12.160 ( -1.813 -1.893 0.972) 2.795 12.230 ( 0.713 -1.611 0.312) 1.789 12.487 ( 1.504 10.910 0.329) 11.018 12.557 ( 2.289 8.986 1.437) 9.384 12.688 ( -0.127 13.547 -1.816) 13.669 13.279 ( -9.202 6.240 -14.919) 18.606 ======================= Grid point 79 (31/60) ======================= q-point: ( 0.33 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( 11.659 11.662 4.813) 17.179 1.456 ( 7.543 11.600 10.919) 17.626 1.632 ( -6.957 7.114 -0.500) 9.963 1.762 ( -0.506 7.500 0.596) 7.541 2.003 ( 7.874 12.565 0.170) 14.829 2.166 ( 3.671 2.391 -6.298) 7.672 2.257 ( 4.778 5.264 -10.813) 12.941 2.319 ( 1.976 7.817 -3.765) 8.899 2.409 ( 5.710 5.395 -8.862) 11.843 2.561 ( 1.771 0.879 -2.850) 3.468 2.683 ( -0.486 -0.957 3.255) 3.427 2.740 ( 0.514 1.048 3.432) 3.625 2.848 ( 6.179 2.634 4.919) 8.326 2.988 ( 4.264 -0.308 -2.030) 4.732 3.127 ( 2.435 0.060 11.626) 11.879 3.270 ( -1.748 1.827 6.865) 7.316 3.360 ( -2.241 0.566 -0.677) 2.408 3.516 ( -4.813 4.411 10.744) 12.572 3.662 ( -2.936 0.924 -5.482) 6.287 3.789 ( -5.617 3.016 4.472) 7.787 3.913 ( 1.544 -2.205 4.265) 5.043 4.166 ( -2.618 -4.507 5.401) 7.506 4.468 ( 1.385 -11.053 -4.511) 12.019 4.621 ( -1.466 -12.508 -8.682) 15.296 4.800 ( 0.704 5.922 -7.825) 9.838 4.944 ( -2.428 3.290 -12.089) 12.761 5.040 ( 0.319 -3.026 -10.134) 10.581 5.247 ( 5.060 -4.339 0.415) 6.678 5.358 ( 2.996 -2.077 -1.495) 3.940 5.499 ( 3.589 -1.434 -2.421) 4.561 5.585 ( 0.823 -1.579 -1.606) 2.398 5.750 ( 4.284 -0.992 1.932) 4.803 5.833 ( 2.452 -0.113 2.709) 3.655 5.918 ( 4.485 2.098 1.959) 5.325 5.997 ( -1.003 0.326 7.011) 7.090 6.090 ( 1.997 2.251 5.442) 6.218 6.161 ( -2.442 -0.940 -1.153) 2.859 6.279 ( -2.331 -1.103 2.054) 3.297 6.400 ( -6.606 -2.864 3.762) 8.123 6.504 ( -13.561 0.445 2.780) 13.851 7.560 ( 4.929 1.548 2.866) 5.908 7.825 ( -5.281 -0.550 0.193) 5.313 7.925 ( 3.366 1.470 -4.879) 6.107 8.047 ( -0.320 -2.572 -6.888) 7.360 8.415 ( -0.187 -2.083 4.203) 4.695 8.535 ( 0.274 -3.265 4.743) 5.764 8.644 ( -2.696 2.520 2.142) 4.267 8.704 ( -5.008 -1.459 1.749) 5.501 8.922 ( 1.700 -2.110 -5.892) 6.485 8.965 ( -1.120 -0.630 -0.416) 1.351 9.025 ( -1.864 1.432 0.802) 2.484 9.242 ( -0.074 0.361 0.840) 0.918 9.429 ( 2.954 -0.047 3.640) 4.688 9.498 ( 3.879 0.587 5.187) 6.503 9.602 ( -2.203 -0.845 2.306) 3.299 9.675 ( 0.362 -2.244 0.769) 2.399 9.754 ( 0.186 -0.312 2.181) 2.211 9.854 ( -1.485 -2.130 -0.460) 2.637 9.914 ( -2.089 -0.275 1.189) 2.419 9.996 ( -2.765 1.218 0.187) 3.027 10.075 ( 3.827 -1.752 0.433) 4.231 10.169 ( -0.153 -0.780 3.253) 3.349 10.305 ( -3.967 -0.747 -0.988) 4.156 10.351 ( 1.583 0.025 -1.655) 2.291 10.474 ( 0.598 -2.067 -0.548) 2.221 10.546 ( 0.242 1.191 0.621) 1.365 10.687 ( -2.667 -0.380 -0.279) 2.709 10.872 ( -2.205 -6.034 -0.618) 6.454 10.947 ( -2.431 -5.221 -0.786) 5.813 11.058 ( 0.530 -5.984 1.195) 6.125 11.157 ( 2.441 -6.070 -3.341) 7.346 11.239 ( -2.292 -5.423 -1.190) 6.007 11.423 ( 3.879 0.683 1.415) 4.185 11.489 ( 0.543 1.040 -0.432) 1.250 11.568 ( -0.363 1.345 3.711) 3.964 11.668 ( -2.508 -0.833 3.890) 4.703 11.899 ( 4.178 -0.682 -1.185) 4.396 12.055 ( -0.677 -0.517 0.352) 0.922 12.128 ( -0.217 1.402 -2.200) 2.618 12.225 ( -1.053 0.678 -0.136) 1.260 12.528 ( 2.104 12.047 0.527) 12.241 12.601 ( 0.773 11.630 0.589) 11.671 12.721 ( 4.314 9.342 -2.796) 10.663 13.064 ( -10.263 8.316 -8.765) 15.852 ======================= Grid point 80 (32/60) ======================= q-point: (-0.50 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( -0.000 7.150 -0.920) 7.209 1.459 ( 0.000 9.386 5.440) 10.848 1.532 ( 0.000 11.972 6.531) 13.638 1.761 ( 0.000 10.891 3.211) 11.354 2.121 ( 0.000 8.187 -5.663) 9.955 2.197 ( 0.000 8.589 -0.875) 8.634 2.307 ( 0.000 5.469 -4.028) 6.792 2.329 ( 0.000 -0.292 -9.707) 9.711 2.534 ( -0.000 4.139 -6.057) 7.336 2.542 ( 0.000 5.960 -10.619) 12.177 2.684 ( -0.000 0.119 4.590) 4.592 2.701 ( 0.000 -0.738 3.566) 3.642 2.958 ( 0.000 -0.274 9.360) 9.364 3.051 ( 0.000 0.235 3.585) 3.593 3.181 ( -0.000 2.177 3.292) 3.946 3.191 ( 0.000 -1.317 4.981) 5.153 3.361 ( 0.000 -2.006 0.664) 2.113 3.430 ( 0.000 6.173 6.667) 9.085 3.659 ( 0.000 3.919 4.024) 5.617 3.695 ( 0.000 4.361 2.566) 5.060 3.953 ( 0.000 -2.343 2.837) 3.680 4.121 ( 0.000 -5.138 8.491) 9.924 4.540 ( 0.000 -6.977 -6.836) 9.768 4.545 ( -0.000 -13.731 -8.969) 16.401 4.816 ( 0.000 5.741 -10.382) 11.863 4.901 ( 0.000 3.833 -10.836) 11.494 5.064 ( 0.000 -3.955 -11.501) 12.162 5.286 ( 0.000 -4.701 0.734) 4.758 5.422 ( 0.000 -1.218 -5.023) 5.168 5.533 ( 0.000 -1.963 -13.068) 13.214 5.598 ( 0.000 2.959 10.845) 11.241 5.743 ( -0.000 0.258 3.580) 3.589 5.895 ( 0.000 -2.955 7.207) 7.789 5.966 ( -0.000 -0.448 4.713) 4.734 6.059 ( 0.000 -0.683 1.424) 1.579 6.122 ( 0.000 -3.976 -0.013) 3.976 6.179 ( -0.000 0.872 0.744) 1.146 6.244 ( -0.000 -4.015 -0.826) 4.099 6.251 ( 0.000 4.081 8.294) 9.243 6.315 ( 0.000 -0.629 3.512) 3.568 7.673 ( 0.000 1.274 1.388) 1.884 7.705 ( -0.000 0.749 2.403) 2.517 7.991 ( -0.000 -1.025 -5.976) 6.063 8.018 ( 0.000 0.159 -6.978) 6.980 8.419 ( 0.000 -1.777 5.036) 5.340 8.546 ( 0.000 -2.875 7.435) 7.971 8.613 ( 0.000 2.474 2.651) 3.626 8.633 ( 0.000 -2.109 0.250) 2.123 8.925 ( 0.000 -1.891 -4.271) 4.671 8.979 ( 0.000 -3.659 -6.018) 7.044 8.991 ( 0.000 4.123 2.577) 4.862 9.241 ( 0.000 -0.119 0.460) 0.475 9.457 ( 0.000 -1.135 2.650) 2.883 9.541 ( 0.000 0.513 3.141) 3.183 9.612 ( 0.000 -2.481 0.473) 2.526 9.668 ( 0.000 -1.493 2.474) 2.889 9.788 ( 0.000 -1.715 4.566) 4.877 9.797 ( -0.000 -1.718 2.269) 2.846 9.899 ( -0.000 2.853 0.043) 2.853 9.940 ( -0.000 2.813 1.002) 2.986 10.118 ( 0.000 -2.337 -0.125) 2.340 10.148 ( -0.000 -1.615 2.314) 2.821 10.298 ( -0.000 0.764 -2.174) 2.305 10.356 ( 0.000 1.838 0.069) 1.839 10.496 ( 0.000 -1.236 -0.768) 1.456 10.562 ( 0.000 -3.252 0.770) 3.341 10.675 ( 0.000 -0.470 -2.908) 2.946 10.760 ( 0.000 1.358 -1.764) 2.226 10.967 ( 0.000 -9.073 -0.186) 9.075 11.054 ( 0.000 -8.867 3.590) 9.566 11.181 ( 0.000 -6.158 -4.590) 7.681 11.214 ( 0.000 -7.412 -1.916) 7.655 11.479 ( 0.000 -0.959 0.617) 1.140 11.506 ( 0.000 0.311 -1.263) 1.301 11.551 ( -0.000 3.937 4.542) 6.010 11.635 ( 0.000 -0.993 5.412) 5.502 11.959 ( 0.000 -0.504 -1.848) 1.916 12.025 ( 0.000 -1.231 2.839) 3.095 12.143 ( 0.000 3.037 -4.065) 5.074 12.204 ( 0.000 1.462 0.066) 1.463 12.558 ( 0.000 11.853 0.083) 11.854 12.597 ( 0.000 13.661 0.978) 13.696 12.846 ( -0.000 8.141 -5.507) 9.829 12.881 ( 0.000 8.142 -4.380) 9.245 ======================= Grid point 84 (33/60) ======================= q-point: ( 0.00 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( 0.000 14.580 7.270) 16.292 1.358 ( 0.000 12.622 11.089) 16.801 1.691 ( 0.000 -10.574 -0.216) 10.576 1.762 ( 0.000 -5.556 -0.974) 5.641 1.940 ( 0.000 10.095 1.324) 10.182 2.199 ( 0.000 -1.020 0.012) 1.020 2.264 ( 0.000 7.157 -3.463) 7.951 2.328 ( 0.000 4.892 -2.514) 5.500 2.451 ( 0.000 0.201 -7.405) 7.407 2.458 ( 0.000 11.694 -7.908) 14.116 2.635 ( 0.000 1.625 -2.087) 2.645 2.664 ( 0.000 -2.499 -1.782) 3.069 2.860 ( 0.000 7.936 1.319) 8.045 2.949 ( 0.000 6.635 2.071) 6.951 3.162 ( 0.000 -0.449 3.804) 3.831 3.225 ( 0.000 0.649 0.896) 1.106 3.468 ( 0.000 4.766 0.496) 4.792 3.693 ( 0.000 -3.074 6.524) 7.212 3.795 ( 0.000 0.784 4.345) 4.415 3.899 ( 0.000 3.071 -1.269) 3.323 4.022 ( 0.000 1.954 -1.916) 2.736 4.082 ( 0.000 -5.501 6.920) 8.840 4.329 ( 0.000 -8.256 13.501) 15.826 4.350 ( 0.000 -9.889 -7.297) 12.290 4.831 ( 0.000 0.117 2.338) 2.341 4.846 ( 0.000 -4.078 -4.728) 6.244 5.078 ( 0.000 2.937 -7.189) 7.766 5.109 ( 0.000 -2.983 2.939) 4.187 5.271 ( 0.000 -0.793 -7.774) 7.815 5.291 ( 0.000 -2.604 1.338) 2.928 5.554 ( 0.000 1.480 -3.511) 3.810 5.569 ( 0.000 1.077 -5.390) 5.496 5.800 ( 0.000 0.216 -5.381) 5.385 5.876 ( 0.000 0.088 -4.484) 4.485 6.024 ( 0.000 1.274 0.315) 1.313 6.150 ( 0.000 -4.346 0.730) 4.406 6.253 ( 0.000 0.485 4.920) 4.944 6.329 ( 0.000 -1.585 4.734) 4.992 6.619 ( 0.000 5.885 8.993) 10.748 6.812 ( 0.000 -2.432 2.218) 3.291 7.520 ( 0.000 3.502 0.520) 3.540 7.749 ( 0.000 -6.518 -4.490) 7.914 7.970 ( 0.000 3.159 -0.871) 3.277 8.053 ( 0.000 3.089 -4.289) 5.285 8.409 ( 0.000 -3.009 1.848) 3.531 8.425 ( 0.000 -4.897 -0.135) 4.899 8.731 ( 0.000 -0.752 -2.499) 2.610 8.782 ( 0.000 -2.334 -5.795) 6.247 8.911 ( 0.000 0.273 2.327) 2.343 8.924 ( 0.000 0.365 2.750) 2.774 9.162 ( 0.000 0.461 9.193) 9.204 9.194 ( 0.000 -1.818 8.480) 8.672 9.428 ( 0.000 8.483 1.871) 8.687 9.484 ( 0.000 1.414 5.681) 5.854 9.589 ( 0.000 -2.706 2.984) 4.028 9.639 ( 0.000 -1.814 0.066) 1.815 9.771 ( 0.000 -0.188 1.909) 1.918 9.855 ( 0.000 -0.536 -3.772) 3.810 9.883 ( 0.000 -0.292 -2.249) 2.267 9.913 ( 0.000 -6.053 0.320) 6.062 10.016 ( 0.000 -1.729 0.631) 1.840 10.041 ( 0.000 -1.966 3.408) 3.935 10.293 ( 0.000 2.011 -2.358) 3.099 10.377 ( 0.000 -2.123 -1.168) 2.423 10.520 ( 0.000 -1.812 -0.036) 1.813 10.693 ( 0.000 -7.953 -3.423) 8.658 10.772 ( 0.000 1.660 0.149) 1.666 10.852 ( 0.000 -2.160 -2.364) 3.202 10.900 ( 0.000 1.239 1.876) 2.249 10.949 ( 0.000 -1.591 0.716) 1.745 11.065 ( 0.000 5.786 0.446) 5.804 11.216 ( 0.000 -1.981 -0.664) 2.090 11.504 ( 0.000 -0.526 -0.360) 0.637 11.537 ( 0.000 -2.526 1.373) 2.875 11.567 ( 0.000 3.203 0.486) 3.239 11.637 ( 0.000 2.403 4.028) 4.690 11.810 ( 0.000 2.270 -0.044) 2.271 12.010 ( 0.000 -4.332 -3.236) 5.407 12.127 ( 0.000 -3.515 2.122) 4.106 12.139 ( 0.000 -2.748 0.846) 2.876 12.649 ( 0.000 7.630 -0.032) 7.631 12.685 ( 0.000 5.889 0.898) 5.957 12.970 ( 0.000 14.262 -3.656) 14.723 13.366 ( 0.000 -5.259 -11.607) 12.743 ======================= Grid point 85 (34/60) ======================= q-point: ( 0.17 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( 8.450 13.560 5.938) 17.045 1.459 ( 8.131 10.945 12.188) 18.288 1.709 ( 0.410 -6.885 0.429) 6.911 1.784 ( 3.624 -5.618 0.452) 6.701 2.004 ( 4.971 9.912 1.505) 11.191 2.215 ( 1.228 3.803 -2.648) 4.794 2.320 ( 4.979 4.030 -3.677) 7.386 2.362 ( 2.605 5.455 -3.601) 7.036 2.445 ( 1.262 2.898 -7.421) 8.066 2.503 ( 2.745 5.405 -5.260) 8.026 2.648 ( 0.700 -0.988 -1.076) 1.620 2.694 ( 2.844 1.318 -3.165) 4.454 2.903 ( 3.286 4.740 0.030) 5.767 2.954 ( -0.335 4.615 0.156) 4.630 3.119 ( -1.058 2.025 3.653) 4.309 3.269 ( 2.699 0.346 4.647) 5.385 3.462 ( -1.108 4.540 0.835) 4.748 3.631 ( -4.396 -1.996 7.120) 8.603 3.781 ( -2.624 1.256 1.533) 3.288 3.853 ( -2.727 0.698 -0.875) 2.948 4.003 ( -2.567 3.477 7.069) 8.286 4.094 ( 1.551 -3.683 1.869) 4.411 4.281 ( -2.709 -8.782 6.880) 11.480 4.375 ( 0.743 -10.830 -1.738) 10.993 4.823 ( 3.097 -0.606 -5.611) 6.437 4.973 ( 4.991 -3.237 -2.764) 6.559 5.005 ( -2.175 2.044 -5.071) 5.884 5.142 ( -1.814 0.165 -3.406) 3.863 5.223 ( 3.519 -1.757 -2.983) 4.936 5.404 ( 5.250 -1.488 -1.638) 5.697 5.542 ( -0.072 0.046 -4.990) 4.991 5.618 ( 2.929 -0.275 -1.832) 3.466 5.805 ( 1.311 0.344 -5.855) 6.010 5.898 ( 1.966 1.161 0.028) 2.284 6.021 ( -0.685 0.213 -0.204) 0.746 6.112 ( -2.828 -3.589 1.265) 4.741 6.219 ( -2.979 -0.062 3.723) 4.769 6.308 ( -2.010 -1.369 4.614) 5.216 6.558 ( -5.417 5.378 9.170) 11.931 6.728 ( -7.771 -1.835 3.297) 8.639 7.539 ( 2.054 3.919 0.880) 4.512 7.774 ( 1.740 -6.968 -3.805) 8.128 7.962 ( -0.365 3.788 -1.870) 4.240 8.041 ( -0.961 2.234 -5.110) 5.659 8.388 ( -1.013 -2.506 1.981) 3.351 8.445 ( 1.014 -4.833 1.601) 5.191 8.711 ( -1.539 0.139 -2.446) 2.893 8.786 ( -1.969 -3.101 -3.914) 5.367 8.852 ( -0.855 1.560 0.387) 1.821 8.954 ( -0.181 -1.963 0.880) 2.159 9.117 ( -1.950 2.231 7.828) 8.370 9.232 ( 1.290 -1.632 7.276) 7.567 9.433 ( 0.537 6.596 2.064) 6.933 9.482 ( 0.253 1.653 5.031) 5.301 9.602 ( 0.710 -2.580 2.538) 3.688 9.630 ( -0.927 -1.856 0.513) 2.137 9.740 ( -1.256 -1.395 1.692) 2.527 9.833 ( -3.438 -5.286 1.614) 6.509 9.906 ( 2.209 0.664 -2.042) 3.080 9.958 ( 4.169 -0.792 -2.449) 4.899 10.017 ( 0.878 -0.561 0.883) 1.366 10.096 ( 4.264 -2.078 2.889) 5.554 10.321 ( 2.181 1.374 -2.574) 3.643 10.374 ( -2.556 -0.061 -0.761) 2.668 10.451 ( -3.701 -2.496 0.176) 4.468 10.604 ( -5.813 -4.121 -0.611) 7.151 10.753 ( -3.109 0.309 0.039) 3.125 10.809 ( -0.575 -2.887 -0.706) 3.027 10.897 ( 0.405 -0.270 -3.063) 3.102 10.997 ( 1.232 -2.124 -1.596) 2.928 11.084 ( -1.103 1.906 2.547) 3.367 11.210 ( 0.203 -2.414 -1.931) 3.098 11.458 ( -4.341 1.179 0.086) 4.499 11.503 ( -0.652 -0.278 -1.762) 1.900 11.571 ( 1.797 2.708 4.704) 5.717 11.680 ( 0.345 -1.080 5.169) 5.292 11.830 ( 2.455 2.409 -0.987) 3.579 12.013 ( 0.351 -4.133 -2.102) 4.650 12.119 ( 0.616 -1.117 1.644) 2.081 12.186 ( 2.682 -2.684 0.180) 3.798 12.671 ( 2.110 7.693 -0.304) 7.983 12.706 ( 1.938 5.891 0.337) 6.211 12.952 ( -1.534 13.447 -3.424) 13.961 13.299 ( -5.898 -3.276 -10.093) 12.140 ======================= Grid point 86 (35/60) ======================= q-point: ( 0.33 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( 7.817 10.408 6.195) 14.416 1.604 ( 3.648 5.598 5.576) 8.702 1.737 ( 3.317 3.184 6.696) 8.123 1.859 ( 1.391 0.201 0.758) 1.597 2.125 ( 6.849 4.372 1.164) 8.208 2.259 ( 2.562 6.803 -1.258) 7.378 2.375 ( 0.739 5.526 -7.550) 9.386 2.449 ( 3.104 2.187 -1.120) 3.959 2.501 ( 3.616 4.531 -6.842) 8.968 2.567 ( 2.872 -0.559 -2.565) 3.891 2.659 ( 0.393 0.391 -1.547) 1.643 2.754 ( 1.498 -0.160 -2.440) 2.867 2.899 ( -1.825 1.782 -1.832) 3.141 2.990 ( 4.297 0.317 -2.059) 4.776 3.157 ( 2.611 3.634 2.242) 5.005 3.307 ( -1.114 0.237 2.067) 2.361 3.404 ( -3.642 4.952 2.011) 6.468 3.567 ( -0.915 0.934 7.878) 7.986 3.703 ( -1.660 3.073 4.488) 5.687 3.853 ( 2.606 1.638 2.225) 3.798 3.920 ( -5.102 3.441 8.727) 10.678 4.096 ( -2.947 -2.844 7.785) 8.797 4.248 ( 0.613 -10.207 0.125) 10.226 4.390 ( 0.678 -11.038 -2.991) 11.457 4.898 ( 1.696 3.894 -9.573) 10.473 4.959 ( -0.770 -1.474 -8.990) 9.142 5.009 ( -0.197 -0.081 -11.599) 11.601 5.177 ( 3.326 -1.826 -3.656) 5.269 5.342 ( 6.130 0.294 -3.801) 7.219 5.492 ( 2.580 -0.647 -6.092) 6.647 5.561 ( 2.953 -0.616 0.798) 3.120 5.681 ( 3.232 -4.982 1.954) 6.252 5.848 ( 0.664 1.620 -1.760) 2.483 5.950 ( 2.453 0.368 1.226) 2.767 5.987 ( -1.002 -0.810 5.807) 5.948 6.079 ( -0.124 -2.889 -0.856) 3.016 6.147 ( -3.227 -1.250 1.868) 3.932 6.251 ( -2.591 0.160 4.177) 4.918 6.420 ( -6.773 3.560 8.833) 11.686 6.511 ( -11.722 -0.202 5.820) 13.089 7.612 ( 4.649 3.812 1.282) 6.147 7.784 ( -1.388 -3.766 -0.590) 4.057 7.968 ( 0.819 2.696 -4.735) 5.510 8.024 ( -0.427 0.059 -6.984) 6.997 8.377 ( 0.111 -1.661 3.687) 4.045 8.465 ( 1.034 -4.000 3.580) 5.467 8.663 ( -3.419 -0.682 -1.521) 3.804 8.701 ( -3.898 1.301 0.802) 4.187 8.874 ( 1.308 -1.564 -5.930) 6.270 8.928 ( -1.373 -2.723 -1.911) 3.599 9.085 ( -1.337 3.578 4.667) 6.031 9.234 ( -0.702 -1.207 4.152) 4.381 9.438 ( -0.292 0.918 2.508) 2.687 9.517 ( 2.962 1.380 4.303) 5.403 9.588 ( -1.310 -0.500 1.684) 2.191 9.634 ( 0.888 -1.977 2.443) 3.266 9.724 ( -0.695 -2.163 3.416) 4.102 9.769 ( -2.046 -5.089 3.647) 6.587 9.936 ( 1.047 2.314 -0.686) 2.630 10.032 ( 1.951 -0.109 0.235) 1.968 10.049 ( 0.600 0.468 -1.640) 1.808 10.167 ( 0.045 0.069 2.398) 2.400 10.272 ( -1.642 -2.157 -3.080) 4.104 10.371 ( 1.481 1.953 -1.129) 2.699 10.428 ( 1.361 -2.256 0.321) 2.654 10.536 ( -0.714 -1.957 1.961) 2.861 10.706 ( -0.383 0.855 -3.562) 3.684 10.788 ( -4.248 -2.749 -0.669) 5.104 10.875 ( -1.670 -1.250 0.140) 2.091 10.966 ( -1.591 -3.776 -1.337) 4.310 11.080 ( 0.730 -2.236 -1.548) 2.816 11.159 ( -4.848 -3.246 -2.075) 6.192 11.438 ( 2.048 1.214 -0.136) 2.385 11.498 ( 0.109 -0.547 -1.938) 2.016 11.601 ( 0.632 1.757 5.450) 5.761 11.648 ( -2.404 -1.048 4.475) 5.187 11.898 ( 3.267 0.699 0.802) 3.436 12.012 ( -0.694 -3.212 1.593) 3.652 12.155 ( 2.564 1.807 -1.036) 3.304 12.227 ( 0.914 -0.569 -0.685) 1.276 12.723 ( 2.285 7.858 -0.883) 8.231 12.770 ( 3.864 6.056 -0.796) 7.228 12.923 ( -0.438 10.692 -3.082) 11.136 13.146 ( -7.980 0.482 -7.042) 10.654 ======================= Grid point 87 (36/60) ======================= q-point: (-0.50 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( 0.000 3.113 5.195) 6.057 1.645 ( 0.000 9.636 6.178) 11.446 1.766 ( 0.000 10.604 2.107) 10.811 1.872 ( 0.000 1.517 4.799) 5.033 2.237 ( 0.000 -3.296 -2.084) 3.899 2.275 ( -0.000 6.515 0.328) 6.523 2.410 ( 0.000 7.662 -3.613) 8.471 2.437 ( 0.000 7.514 -3.004) 8.092 2.547 ( 0.000 -1.694 -4.580) 4.883 2.609 ( 0.000 1.190 -2.591) 2.851 2.679 ( 0.000 -1.907 1.622) 2.503 2.718 ( 0.000 2.025 -4.360) 4.807 2.925 ( 0.000 -1.845 2.637) 3.218 3.066 ( 0.000 1.216 -2.454) 2.738 3.175 ( -0.000 -1.274 -5.430) 5.577 3.229 ( 0.000 0.476 -6.650) 6.667 3.380 ( 0.000 5.703 4.487) 7.256 3.546 ( 0.000 7.207 9.702) 12.086 3.782 ( -0.000 2.178 8.139) 8.425 3.788 ( 0.000 7.686 11.171) 13.559 3.926 ( 0.000 0.465 3.557) 3.588 4.015 ( 0.000 -5.817 10.713) 12.191 4.272 ( 0.000 -13.182 -5.716) 14.368 4.397 ( 0.000 -7.341 -1.207) 7.440 4.910 ( 0.000 4.039 -10.096) 10.874 4.929 ( 0.000 -0.118 -10.060) 10.061 5.035 ( 0.000 -0.019 -16.359) 16.359 5.208 ( 0.000 -2.906 -3.680) 4.689 5.420 ( 0.000 1.022 -8.695) 8.755 5.513 ( 0.000 -0.936 -13.214) 13.247 5.619 ( 0.000 -0.281 9.053) 9.057 5.762 ( -0.000 1.595 2.874) 3.287 5.791 ( 0.000 -6.852 6.403) 9.378 5.965 ( -0.000 -0.257 4.808) 4.815 6.031 ( 0.000 -1.579 3.547) 3.882 6.055 ( 0.000 -2.471 -2.515) 3.525 6.125 ( 0.000 -3.541 -0.937) 3.663 6.261 ( 0.000 2.623 2.916) 3.922 6.299 ( 0.000 1.403 10.534) 10.627 6.347 ( 0.000 2.626 7.840) 8.268 7.709 ( 0.000 2.080 0.885) 2.261 7.724 ( -0.000 1.131 1.484) 1.866 7.980 ( 0.000 -0.289 -6.337) 6.344 8.021 ( 0.000 0.085 -7.287) 7.287 8.384 ( 0.000 -1.695 4.358) 4.676 8.484 ( 0.000 -3.055 5.718) 6.483 8.602 ( 0.000 -1.067 -2.086) 2.343 8.661 ( 0.000 2.210 1.304) 2.566 8.886 ( 0.000 -1.706 -6.235) 6.464 8.916 ( 0.000 -3.005 -5.041) 5.869 9.067 ( 0.000 3.750 3.774) 5.320 9.224 ( 0.000 -1.461 2.363) 2.779 9.432 ( 0.000 -1.532 2.953) 3.327 9.561 ( 0.000 1.587 2.592) 3.039 9.577 ( 0.000 -0.900 1.357) 1.628 9.637 ( 0.000 -1.476 4.721) 4.946 9.717 ( 0.000 -4.368 5.293) 6.863 9.749 ( -0.000 -2.649 3.887) 4.704 9.961 ( -0.000 3.309 -0.875) 3.423 10.003 ( 0.000 3.417 0.906) 3.535 10.093 ( 0.000 -1.177 -0.635) 1.337 10.109 ( -0.000 -2.460 1.328) 2.795 10.298 ( 0.000 -0.705 -5.079) 5.127 10.388 ( 0.000 1.105 -0.506) 1.215 10.496 ( -0.000 1.287 1.447) 1.937 10.515 ( 0.000 -1.373 1.091) 1.754 10.651 ( 0.000 -2.066 -2.467) 3.218 10.766 ( 0.000 -1.565 -0.592) 1.673 10.847 ( 0.000 -3.304 -2.247) 3.995 10.953 ( 0.000 -1.100 2.817) 3.024 11.086 ( 0.000 -3.766 -4.693) 6.017 11.096 ( 0.000 -4.910 -1.619) 5.170 11.472 ( 0.000 0.171 -0.714) 0.735 11.504 ( 0.000 -0.625 -1.428) 1.559 11.600 ( 0.000 1.129 4.273) 4.420 11.616 ( 0.000 -0.888 4.579) 4.664 11.942 ( 0.000 -0.807 0.939) 1.238 11.996 ( 0.000 -1.356 4.289) 4.498 12.196 ( 0.000 2.285 -2.917) 3.705 12.228 ( 0.000 1.016 -0.391) 1.089 12.751 ( 0.000 7.826 -2.020) 8.082 12.816 ( 0.000 8.780 0.088) 8.781 12.970 ( -0.000 4.505 -5.251) 6.918 13.002 ( 0.000 4.233 -3.842) 5.717 ======================= Grid point 91 (37/60) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( 0.000 -11.262 5.619) 12.586 1.398 ( 0.000 11.262 5.619) 12.586 1.628 ( 0.000 -7.327 2.824) 7.852 1.628 ( 0.000 7.327 2.824) 7.852 2.109 ( 0.000 -7.400 2.007) 7.667 2.109 ( 0.000 7.400 2.007) 7.667 2.347 ( 0.000 -1.849 -2.733) 3.300 2.347 ( 0.000 1.849 -2.733) 3.300 2.525 ( 0.000 -3.977 -7.058) 8.101 2.525 ( 0.000 3.977 -7.058) 8.101 2.640 ( 0.000 -0.579 -3.653) 3.699 2.640 ( 0.000 0.579 -3.653) 3.699 2.976 ( 0.000 -3.527 -0.835) 3.625 2.976 ( 0.000 3.527 -0.835) 3.625 3.207 ( 0.000 -3.084 1.981) 3.666 3.207 ( 0.000 3.084 1.981) 3.666 3.590 ( 0.000 -6.950 1.833) 7.188 3.590 ( 0.000 6.950 1.833) 7.188 3.856 ( 0.000 -4.733 1.887) 5.096 3.856 ( 0.000 4.733 1.887) 5.096 4.052 ( 0.000 -0.548 2.097) 2.168 4.052 ( 0.000 0.548 2.097) 2.168 4.244 ( 0.000 -0.122 6.602) 6.603 4.244 ( 0.000 0.122 6.602) 6.603 4.811 ( 0.000 -0.146 0.454) 0.477 4.811 ( 0.000 0.146 0.454) 0.477 5.111 ( 0.000 -0.366 -1.890) 1.925 5.111 ( 0.000 0.366 -1.890) 1.925 5.257 ( 0.000 -0.101 -0.888) 0.894 5.257 ( 0.000 0.101 -0.888) 0.894 5.574 ( 0.000 -0.162 -6.982) 6.984 5.574 ( 0.000 0.162 -6.982) 6.984 5.834 ( 0.000 -2.859 -6.918) 7.486 5.834 ( 0.000 2.859 -6.918) 7.486 6.068 ( 0.000 -3.568 -1.436) 3.846 6.068 ( 0.000 3.568 -1.436) 3.846 6.284 ( 0.000 -2.524 6.827) 7.279 6.284 ( 0.000 2.524 6.827) 7.279 6.737 ( 0.000 -5.546 5.850) 8.062 6.737 ( 0.000 5.546 5.850) 8.062 7.615 ( 0.000 -6.437 -1.829) 6.692 7.615 ( 0.000 6.437 -1.829) 6.692 8.054 ( 0.000 -3.486 -3.841) 5.187 8.054 ( 0.000 3.486 -3.841) 5.187 8.369 ( 0.000 -0.155 1.491) 1.499 8.369 ( 0.000 0.155 1.491) 1.499 8.740 ( 0.000 -1.614 -5.466) 5.699 8.740 ( 0.000 1.614 -5.466) 5.699 8.922 ( 0.000 -0.424 3.494) 3.519 8.922 ( 0.000 0.424 3.494) 3.519 9.169 ( 0.000 -0.450 10.523) 10.532 9.169 ( 0.000 0.450 10.523) 10.532 9.529 ( 0.000 -2.395 2.370) 3.370 9.529 ( 0.000 2.395 2.370) 3.370 9.576 ( 0.000 -5.110 2.105) 5.526 9.576 ( 0.000 5.110 2.105) 5.526 9.799 ( 0.000 -3.438 0.872) 3.547 9.799 ( 0.000 3.438 0.872) 3.547 9.871 ( 0.000 -0.481 -3.741) 3.772 9.871 ( 0.000 0.481 -3.741) 3.772 10.012 ( 0.000 -0.730 1.994) 2.123 10.012 ( 0.000 0.730 1.994) 2.123 10.334 ( 0.000 -2.136 -2.159) 3.037 10.334 ( 0.000 2.136 -2.159) 3.037 10.555 ( 0.000 -5.248 -1.765) 5.537 10.555 ( 0.000 5.248 -1.765) 5.537 10.810 ( 0.000 -1.869 -1.403) 2.337 10.810 ( 0.000 1.869 -1.403) 2.337 10.923 ( 0.000 -0.554 2.169) 2.239 10.923 ( 0.000 0.554 2.169) 2.239 11.162 ( 0.000 -3.985 -1.395) 4.222 11.162 ( 0.000 3.985 -1.395) 4.222 11.498 ( 0.000 -0.475 -0.228) 0.527 11.498 ( 0.000 0.475 -0.228) 0.527 11.641 ( 0.000 -2.399 3.927) 4.602 11.641 ( 0.000 2.399 3.927) 4.602 11.895 ( 0.000 -6.452 -1.092) 6.543 11.895 ( 0.000 6.452 -1.092) 6.543 12.102 ( 0.000 -0.597 1.015) 1.177 12.102 ( 0.000 0.597 1.015) 1.177 12.733 ( 0.000 -1.010 0.256) 1.042 12.733 ( 0.000 1.010 0.256) 1.042 13.211 ( 0.000 -10.863 -6.970) 12.907 13.211 ( 0.000 10.863 -6.970) 12.907 ======================= Grid point 93 (38/60) ======================= q-point: ( 0.17 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( 6.559 -0.000 4.796) 8.125 1.542 ( 7.781 0.000 5.252) 9.387 1.645 ( 1.105 0.000 3.870) 4.025 1.672 ( 6.037 0.000 6.348) 8.761 2.145 ( 3.770 0.000 1.433) 4.034 2.201 ( 6.366 0.000 1.394) 6.517 2.343 ( 2.562 -0.000 -5.039) 5.653 2.432 ( 4.418 0.000 -2.282) 4.973 2.485 ( -1.111 0.000 -6.708) 6.799 2.536 ( -0.487 -0.000 -5.049) 5.072 2.650 ( 1.365 -0.000 -3.787) 4.026 2.708 ( 4.428 0.000 -5.705) 7.222 2.964 ( -0.360 0.000 -0.297) 0.467 2.970 ( -1.750 -0.000 -3.576) 3.981 3.182 ( 1.037 0.000 1.667) 1.963 3.261 ( 2.737 0.000 4.406) 5.187 3.531 ( -2.859 0.000 2.331) 3.688 3.600 ( -1.783 -0.000 2.708) 3.242 3.780 ( -4.473 0.000 3.901) 5.935 3.870 ( 0.400 0.000 0.333) 0.520 4.007 ( -3.277 0.000 5.535) 6.432 4.097 ( 2.550 0.000 -1.208) 2.822 4.196 ( -1.508 0.000 9.956) 10.070 4.250 ( -1.968 -0.000 4.968) 5.343 4.810 ( 4.295 -0.000 -4.158) 5.978 4.922 ( 3.374 0.000 -2.992) 4.510 5.059 ( -0.965 0.000 -2.966) 3.119 5.143 ( 0.932 0.000 -3.971) 4.079 5.219 ( 1.071 0.000 -1.978) 2.249 5.367 ( 5.867 0.000 1.088) 5.967 5.554 ( -0.218 0.000 -8.906) 8.908 5.608 ( 0.855 0.000 -2.543) 2.683 5.816 ( 1.351 -0.000 -8.639) 8.744 5.902 ( 3.625 0.000 -0.857) 3.725 6.037 ( -2.302 0.000 -2.488) 3.390 6.044 ( -2.365 -0.000 -0.598) 2.439 6.228 ( -3.743 0.000 6.014) 7.084 6.289 ( -0.840 -0.000 6.666) 6.719 6.657 ( -6.701 -0.000 6.562) 9.378 6.673 ( -6.582 0.000 6.546) 9.283 7.636 ( 2.020 -0.000 -1.469) 2.497 7.642 ( 2.353 0.000 -1.347) 2.711 8.038 ( -1.412 -0.000 -4.427) 4.647 8.043 ( -0.813 0.000 -4.693) 4.763 8.368 ( -0.168 -0.000 2.394) 2.400 8.378 ( 0.982 0.000 1.997) 2.225 8.720 ( -1.876 0.000 -4.055) 4.468 8.743 ( -0.362 -0.000 -5.211) 5.224 8.888 ( -1.414 0.000 1.270) 1.901 8.917 ( -1.503 -0.000 2.574) 2.981 9.147 ( -0.536 0.000 8.503) 8.519 9.206 ( 1.257 0.000 9.463) 9.546 9.516 ( -0.067 0.000 2.267) 2.268 9.524 ( -2.446 0.000 -0.208) 2.455 9.575 ( 1.141 0.000 4.411) 4.556 9.585 ( 0.249 -0.000 1.419) 1.441 9.728 ( -2.399 0.000 1.069) 2.627 9.763 ( -2.901 -0.000 3.301) 4.394 9.925 ( 2.955 -0.000 -2.502) 3.873 9.943 ( 3.758 0.000 -2.465) 4.494 10.013 ( 2.336 -0.000 -0.306) 2.356 10.074 ( 4.444 0.000 2.793) 5.249 10.326 ( -0.559 0.000 -3.161) 3.210 10.391 ( 2.416 0.000 -0.457) 2.459 10.448 ( -6.358 -0.000 -1.547) 6.544 10.524 ( -3.113 0.000 0.122) 3.116 10.758 ( -5.439 0.000 -0.543) 5.466 10.777 ( 0.088 0.000 0.061) 0.107 10.905 ( 2.306 0.000 -3.267) 3.999 10.973 ( -2.214 0.000 -1.367) 2.602 11.139 ( -3.411 0.000 0.588) 3.461 11.157 ( 0.412 -0.000 0.285) 0.501 11.472 ( -2.229 0.000 -1.168) 2.517 11.488 ( -0.291 0.000 -2.336) 2.354 11.640 ( 0.392 -0.000 4.693) 4.709 11.642 ( -0.515 0.000 6.578) 6.598 11.886 ( 0.525 -0.000 -1.614) 1.698 11.934 ( 2.065 0.000 0.361) 2.096 12.121 ( 2.369 -0.000 0.099) 2.371 12.149 ( 3.155 0.000 0.865) 3.271 12.752 ( 2.223 0.000 -0.332) 2.247 12.758 ( 1.835 -0.000 0.008) 1.835 13.162 ( -3.558 -0.000 -6.703) 7.589 13.185 ( -3.039 0.000 -5.964) 6.694 ======================= Grid point 95 (39/60) ======================= q-point: ( 0.33 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( 1.211 -0.000 6.744) 6.852 1.680 ( 6.126 0.000 5.578) 8.285 1.741 ( 8.327 0.000 1.498) 8.461 1.832 ( 5.904 0.000 7.416) 9.479 2.198 ( 0.673 0.000 -0.845) 1.080 2.323 ( 3.385 0.000 4.541) 5.664 2.443 ( 5.084 -0.000 -3.756) 6.321 2.447 ( 1.270 0.000 -5.017) 5.175 2.531 ( 1.050 0.000 -2.025) 2.281 2.552 ( 3.303 -0.000 -1.716) 3.722 2.693 ( 2.880 -0.000 -7.352) 7.896 2.741 ( -2.781 0.000 -4.591) 5.367 2.917 ( -2.031 0.000 -3.899) 4.396 2.992 ( 4.061 0.000 -2.501) 4.769 3.210 ( -1.051 0.000 -3.541) 3.694 3.286 ( -2.327 0.000 -2.666) 3.538 3.513 ( -3.925 0.000 2.992) 4.935 3.537 ( 5.140 -0.000 8.852) 10.236 3.764 ( 3.360 0.000 8.432) 9.077 3.849 ( -3.548 0.000 7.819) 8.587 3.950 ( -0.769 0.000 2.479) 2.596 4.061 ( -5.340 -0.000 8.871) 10.354 4.180 ( -3.816 0.000 1.952) 4.286 4.248 ( 4.781 -0.000 1.751) 5.091 4.929 ( -0.535 -0.000 -8.927) 8.943 4.946 ( 6.894 0.000 -11.221) 13.170 5.016 ( -3.711 -0.000 -9.734) 10.417 5.166 ( 1.164 0.000 -4.088) 4.251 5.354 ( 8.684 0.000 -3.575) 9.391 5.464 ( 2.939 0.000 -5.200) 5.973 5.574 ( 3.256 0.000 -2.715) 4.239 5.615 ( 0.223 0.000 2.789) 2.798 5.887 ( 4.591 0.000 -3.116) 5.549 5.915 ( -4.463 0.000 1.610) 4.744 5.994 ( -1.367 0.000 1.602) 2.107 6.037 ( 3.580 0.000 -0.959) 3.706 6.133 ( -5.090 0.000 3.805) 6.355 6.262 ( -1.049 0.000 5.782) 5.876 6.485 ( -9.504 -2.623 7.952) 12.666 6.485 ( -9.199 2.623 7.967) 12.449 7.692 ( 2.997 -0.000 -0.345) 3.017 7.702 ( 2.851 0.000 0.004) 2.851 8.001 ( -1.827 0.000 -5.574) 5.865 8.028 ( -0.583 0.000 -6.375) 6.402 8.365 ( -0.032 0.000 3.680) 3.680 8.413 ( 2.290 0.000 3.460) 4.149 8.654 ( -4.090 0.000 -2.132) 4.613 8.716 ( -2.115 0.000 -1.935) 2.866 8.876 ( 0.132 0.000 -3.194) 3.197 8.883 ( -1.177 0.000 -2.729) 2.972 9.130 ( -1.213 0.000 5.009) 5.154 9.212 ( -0.529 0.000 6.152) 6.175 9.451 ( -3.335 0.000 1.075) 3.504 9.534 ( 1.782 0.000 2.626) 3.174 9.590 ( 0.195 -0.000 1.867) 1.877 9.608 ( 1.586 0.000 3.512) 3.854 9.700 ( -2.910 0.000 5.760) 6.453 9.711 ( 0.285 -0.000 3.570) 3.581 9.974 ( 2.039 -0.000 -1.674) 2.639 10.007 ( 2.532 0.000 0.194) 2.539 10.067 ( 0.792 0.000 -1.523) 1.716 10.167 ( -0.888 0.000 2.082) 2.263 10.248 ( -0.474 0.000 -3.651) 3.682 10.388 ( -0.453 0.000 0.771) 0.895 10.420 ( 2.881 0.000 -1.803) 3.399 10.504 ( 0.112 0.000 2.474) 2.477 10.703 ( 0.631 0.000 -4.131) 4.179 10.761 ( -4.868 0.000 0.204) 4.872 10.900 ( -3.515 0.000 -1.786) 3.943 10.912 ( 0.370 0.000 -1.606) 1.648 11.059 ( -2.533 0.000 -0.989) 2.719 11.125 ( -3.791 0.000 -1.075) 3.941 11.460 ( 1.445 0.000 -1.029) 1.774 11.482 ( -0.290 0.000 -2.128) 2.148 11.623 ( -1.207 0.000 5.579) 5.708 11.633 ( -1.268 0.000 4.344) 4.525 11.914 ( 1.672 -0.000 0.587) 1.772 11.970 ( 1.184 0.000 3.350) 3.553 12.184 ( 2.954 0.000 -1.724) 3.420 12.212 ( 2.416 0.000 -0.075) 2.417 12.802 ( 2.094 0.000 -1.447) 2.545 12.826 ( 4.535 -0.000 -0.832) 4.611 13.082 ( -3.494 -0.000 -4.946) 6.056 13.095 ( -5.103 0.000 -4.728) 6.957 ======================= Grid point 97 (40/60) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( 0.000 0.000 6.357) 6.357 1.767 ( 0.000 0.000 9.738) 9.738 1.860 ( 0.000 0.000 1.104) 1.104 1.879 ( 0.000 0.000 1.494) 1.494 2.193 ( 0.000 0.000 -2.484) 2.484 2.340 ( 0.000 0.000 4.266) 4.266 2.484 ( 0.000 0.000 -2.405) 2.405 2.491 ( 0.000 0.000 0.082) 0.082 2.582 ( 0.000 -0.000 -2.044) 2.044 2.621 ( -0.000 0.000 0.073) 0.073 2.630 ( 0.000 0.000 -0.719) 0.719 2.724 ( 0.000 0.000 -6.018) 6.018 2.918 ( 0.000 -0.000 -1.623) 1.623 3.081 ( 0.000 0.000 -3.256) 3.256 3.152 ( 0.000 0.000 -13.064) 13.064 3.215 ( 0.000 0.000 -10.987) 10.987 3.485 ( 0.000 0.000 4.076) 4.076 3.654 ( -0.000 0.000 12.325) 12.325 3.766 ( 0.000 0.000 9.999) 9.999 3.857 ( 0.000 -0.000 16.949) 16.949 3.951 ( 0.000 0.000 4.572) 4.572 3.951 ( 0.000 0.000 6.943) 6.943 4.130 ( 0.000 0.000 -3.740) 3.740 4.311 ( 0.000 0.000 1.990) 1.990 4.931 ( 0.000 0.000 -11.733) 11.733 4.956 ( 0.000 0.000 -10.921) 10.921 5.031 ( 0.000 0.000 -15.766) 15.766 5.179 ( 0.000 0.000 -3.246) 3.246 5.440 ( 0.000 0.000 -12.587) 12.587 5.498 ( 0.000 0.000 -12.251) 12.251 5.613 ( 0.000 0.000 8.504) 8.504 5.709 ( 0.000 0.000 6.935) 6.935 5.782 ( 0.000 0.000 1.529) 1.529 5.953 ( 0.000 0.000 2.005) 2.005 6.019 ( -0.000 0.000 8.208) 8.208 6.033 ( 0.000 0.000 -3.483) 3.483 6.092 ( 0.000 0.000 -0.683) 0.683 6.288 ( 0.000 0.000 2.811) 2.811 6.313 ( -0.000 0.000 11.811) 11.811 6.374 ( 0.000 0.000 8.365) 8.365 7.732 ( 0.000 0.000 0.727) 0.727 7.737 ( 0.000 0.000 0.997) 0.997 7.977 ( 0.000 0.000 -6.405) 6.405 8.021 ( 0.000 0.000 -7.325) 7.325 8.366 ( 0.000 0.000 4.167) 4.167 8.451 ( 0.000 0.000 5.325) 5.325 8.592 ( 0.000 0.000 -3.017) 3.017 8.685 ( 0.000 0.000 0.106) 0.106 8.872 ( 0.000 -0.000 -6.318) 6.318 8.880 ( 0.000 0.000 -5.070) 5.070 9.112 ( 0.000 0.000 3.817) 3.817 9.202 ( 0.000 0.000 3.778) 3.778 9.413 ( 0.000 0.000 2.974) 2.974 9.572 ( 0.000 0.000 1.252) 1.252 9.583 ( -0.000 0.000 3.058) 3.058 9.626 ( 0.000 -0.000 2.724) 2.724 9.663 ( 0.000 0.000 7.643) 7.643 9.719 ( 0.000 0.000 5.001) 5.001 10.004 ( 0.000 0.000 -2.481) 2.481 10.054 ( 0.000 -0.000 0.129) 0.129 10.065 ( -0.000 0.000 0.286) 0.286 10.073 ( 0.000 0.000 2.156) 2.156 10.288 ( 0.000 0.000 -5.990) 5.990 10.395 ( 0.000 0.000 -0.927) 0.927 10.508 ( 0.000 0.000 1.174) 1.174 10.518 ( 0.000 0.000 1.837) 1.837 10.624 ( 0.000 -0.000 -1.810) 1.810 10.736 ( 0.000 0.000 0.891) 0.891 10.823 ( 0.000 0.000 -3.382) 3.382 10.967 ( 0.000 0.000 2.703) 2.703 11.038 ( 0.000 0.000 -2.332) 2.332 11.048 ( 0.000 -0.000 -4.965) 4.965 11.479 ( 0.000 0.000 -1.544) 1.544 11.491 ( 0.000 0.000 -1.142) 1.142 11.606 ( 0.000 0.000 3.980) 3.980 11.608 ( 0.000 0.000 3.956) 3.956 11.934 ( 0.000 0.000 2.151) 2.151 11.982 ( 0.000 0.000 4.857) 4.857 12.219 ( 0.000 0.000 -2.503) 2.503 12.239 ( 0.000 0.000 -0.702) 0.702 12.829 ( 0.000 0.000 -2.796) 2.796 12.904 ( 0.000 0.000 -0.300) 0.300 13.011 ( -0.000 0.000 -4.870) 4.870 13.040 ( 0.000 0.000 -3.398) 3.398 ======================= Grid point 126 (41/60) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( 0.000 0.000 20.527) 20.527 1.003 ( 0.000 0.000 21.039) 21.039 1.265 ( 0.000 0.000 1.556) 1.556 1.285 ( 0.000 0.000 -23.614) 23.614 1.794 ( 0.000 0.000 0.140) 0.140 1.838 ( 0.000 0.000 -3.655) 3.655 1.889 ( 0.000 0.000 -8.685) 8.685 1.906 ( 0.000 0.000 -10.655) 10.655 1.940 ( 0.000 0.000 22.637) 22.637 2.394 ( 0.000 0.000 -11.316) 11.316 2.548 ( 0.000 0.000 2.777) 2.777 2.615 ( 0.000 0.000 -4.809) 4.809 3.042 ( 0.000 0.000 3.381) 3.381 3.046 ( 0.000 0.000 1.815) 1.815 3.365 ( 0.000 0.000 11.058) 11.058 3.470 ( 0.000 0.000 4.362) 4.362 3.548 ( 0.000 0.000 0.487) 0.487 3.584 ( 0.000 0.000 -8.197) 8.197 3.703 ( 0.000 0.000 11.380) 11.380 3.842 ( 0.000 0.000 14.273) 14.273 3.908 ( 0.000 0.000 0.638) 0.638 4.340 ( 0.000 0.000 -2.588) 2.588 4.340 ( 0.000 0.000 -29.169) 29.169 4.518 ( 0.000 0.000 -14.399) 14.399 4.921 ( 0.000 0.000 -1.000) 1.000 4.925 ( 0.000 0.000 -1.606) 1.606 5.059 ( 0.000 0.000 8.900) 8.900 5.188 ( 0.000 0.000 -3.670) 3.670 5.267 ( 0.000 0.000 8.593) 8.593 5.447 ( 0.000 0.000 -8.094) 8.094 5.586 ( 0.000 0.000 7.326) 7.326 5.797 ( 0.000 0.000 -9.782) 9.782 5.852 ( 0.000 0.000 4.873) 4.873 5.919 ( 0.000 0.000 -3.431) 3.431 6.002 ( 0.000 0.000 8.294) 8.294 6.084 ( 0.000 0.000 0.390) 0.390 6.223 ( 0.000 0.000 4.750) 4.750 6.322 ( 0.000 0.000 -4.756) 4.756 6.739 ( 0.000 0.000 4.884) 4.884 6.831 ( 0.000 0.000 -3.864) 3.864 7.576 ( 0.000 0.000 4.191) 4.191 7.657 ( 0.000 0.000 -3.335) 3.335 7.954 ( 0.000 0.000 6.581) 6.581 8.103 ( 0.000 0.000 -7.384) 7.384 8.616 ( 0.000 0.000 1.974) 1.974 8.663 ( 0.000 0.000 -2.140) 2.140 8.732 ( 0.000 0.000 2.990) 2.990 8.751 ( 0.000 0.000 1.231) 1.231 8.983 ( 0.000 0.000 1.878) 1.878 9.006 ( 0.000 0.000 3.173) 3.173 9.014 ( 0.000 0.000 -1.471) 1.471 9.079 ( 0.000 0.000 -3.260) 3.260 9.429 ( 0.000 0.000 4.569) 4.569 9.547 ( 0.000 0.000 -5.789) 5.789 9.735 ( 0.000 0.000 1.366) 1.366 9.756 ( 0.000 0.000 2.722) 2.722 9.769 ( 0.000 0.000 -1.769) 1.769 9.809 ( 0.000 0.000 -2.483) 2.483 10.014 ( 0.000 0.000 7.000) 7.000 10.147 ( 0.000 0.000 -5.274) 5.274 10.147 ( 0.000 0.000 4.749) 4.749 10.224 ( 0.000 0.000 -2.717) 2.717 10.449 ( 0.000 0.000 2.230) 2.230 10.499 ( 0.000 0.000 -2.459) 2.459 10.507 ( 0.000 0.000 -0.325) 0.325 10.518 ( 0.000 0.000 -1.481) 1.481 10.931 ( 0.000 0.000 5.203) 5.203 11.034 ( 0.000 0.000 3.659) 3.659 11.052 ( 0.000 0.000 -6.109) 6.109 11.094 ( 0.000 0.000 -1.366) 1.366 11.253 ( 0.000 0.000 3.861) 3.861 11.351 ( 0.000 0.000 -4.915) 4.915 11.554 ( 0.000 0.000 0.835) 0.835 11.574 ( 0.000 0.000 -0.967) 0.967 11.687 ( 0.000 0.000 6.277) 6.277 11.730 ( 0.000 0.000 5.447) 5.447 11.826 ( 0.000 0.000 -6.889) 6.889 11.847 ( 0.000 0.000 -5.634) 5.634 12.094 ( 0.000 0.000 -0.324) 0.324 12.102 ( 0.000 0.000 -0.836) 0.836 12.342 ( 0.000 0.000 1.854) 1.854 12.379 ( 0.000 0.000 -1.732) 1.732 12.412 ( 0.000 0.000 4.731) 4.731 12.505 ( 0.000 0.000 -4.047) 4.047 ======================= Grid point 127 (42/60) ======================= q-point: ( 0.17 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( 6.310 0.000 18.383) 19.436 1.041 ( 3.233 0.000 21.035) 21.282 1.335 ( 4.301 0.000 -22.935) 23.335 1.370 ( 7.896 0.000 -5.846) 9.825 1.790 ( -1.591 0.000 3.770) 4.092 1.794 ( -3.358 0.000 -0.505) 3.396 1.912 ( 1.389 0.000 -10.954) 11.042 1.920 ( 2.970 0.000 -6.457) 7.107 2.048 ( 8.804 0.000 17.097) 19.231 2.456 ( 4.937 0.000 -10.843) 11.914 2.651 ( 9.816 0.000 2.206) 10.061 2.713 ( 9.274 0.000 -3.239) 9.823 2.994 ( -4.544 0.000 5.084) 6.819 3.018 ( -2.830 0.000 1.496) 3.201 3.356 ( -0.019 0.000 12.147) 12.147 3.433 ( -3.602 0.000 4.917) 6.095 3.519 ( -2.453 0.000 -1.139) 2.705 3.622 ( 2.924 0.000 -11.793) 12.150 3.694 ( -0.850 0.000 11.329) 11.361 3.837 ( -0.211 0.000 16.666) 16.668 3.873 ( -3.350 0.000 2.763) 4.342 4.264 ( -6.692 0.000 -3.646) 7.621 4.342 ( 0.090 0.000 -28.579) 28.579 4.460 ( -4.648 0.000 -17.116) 17.736 4.865 ( -2.261 0.000 4.268) 4.830 4.980 ( 2.850 0.000 -6.746) 7.323 5.052 ( -0.961 0.000 12.032) 12.070 5.225 ( 2.349 0.000 -4.293) 4.893 5.350 ( 7.146 0.000 8.583) 11.168 5.520 ( 6.299 0.000 -7.194) 9.562 5.581 ( 0.293 0.000 5.555) 5.563 5.744 ( -3.222 0.000 -7.203) 7.890 5.888 ( 2.207 0.000 3.036) 3.754 5.957 ( 2.732 0.000 -3.221) 4.223 6.019 ( 1.492 0.000 7.268) 7.420 6.082 ( -1.159 0.000 1.383) 1.804 6.137 ( -4.976 0.000 7.603) 9.086 6.278 ( -3.816 0.000 -6.361) 7.418 6.673 ( -6.025 0.000 3.595) 7.016 6.743 ( -8.012 0.000 -2.960) 8.542 7.593 ( 1.694 0.000 4.797) 5.087 7.696 ( 3.234 0.000 -5.049) 5.996 7.948 ( -1.004 0.000 6.041) 6.124 8.084 ( -1.994 0.000 -6.762) 7.050 8.617 ( 0.313 0.000 3.464) 3.478 8.690 ( 2.204 0.000 -3.258) 3.933 8.695 ( -2.200 0.000 5.499) 5.923 8.771 ( 0.544 0.000 -0.558) 0.780 8.938 ( -2.505 0.000 3.402) 4.225 8.976 ( -2.419 0.000 4.711) 5.296 9.034 ( 0.693 0.000 -4.757) 4.807 9.074 ( -0.655 0.000 -4.480) 4.528 9.464 ( 3.284 0.000 5.686) 6.566 9.585 ( 2.890 0.000 -4.900) 5.689 9.694 ( -3.462 0.000 3.797) 5.139 9.748 ( -0.477 0.000 1.384) 1.464 9.754 ( -1.529 0.000 -2.414) 2.857 9.775 ( -2.375 0.000 -0.924) 2.548 10.057 ( 3.717 0.000 5.652) 6.764 10.072 ( -6.014 0.000 4.895) 7.755 10.154 ( -5.743 0.000 -2.647) 6.323 10.179 ( 2.645 0.000 -5.457) 6.064 10.411 ( -2.894 0.000 2.347) 3.726 10.452 ( -2.451 0.000 1.794) 3.037 10.454 ( -3.480 0.000 -1.511) 3.794 10.504 ( -1.214 0.000 -3.043) 3.276 10.983 ( -5.911 0.000 4.791) 7.608 11.017 ( 7.289 0.000 5.710) 9.259 11.079 ( -3.843 0.000 -4.101) 5.621 11.142 ( 6.818 0.000 -6.040) 9.109 11.270 ( 3.026 0.000 5.132) 5.958 11.369 ( 1.917 0.000 -4.083) 4.511 11.544 ( -0.875 0.000 0.818) 1.198 11.565 ( -0.533 0.000 -1.228) 1.339 11.638 ( -3.954 0.000 5.723) 6.956 11.767 ( 3.171 0.000 4.617) 5.601 11.772 ( -4.433 0.000 -6.470) 7.843 11.870 ( 1.972 0.000 -5.087) 5.456 12.034 ( -3.625 0.000 2.933) 4.663 12.094 ( -1.733 0.000 -3.075) 3.530 12.340 ( 1.129 0.000 5.103) 5.227 12.411 ( -0.117 0.000 5.009) 5.010 12.464 ( 4.614 0.000 -6.984) 8.370 12.509 ( 0.391 0.000 -4.247) 4.265 ======================= Grid point 128 (43/60) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( 7.772 0.000 13.299) 15.404 1.127 ( 4.456 0.000 15.981) 16.591 1.432 ( 3.889 0.000 -19.742) 20.122 1.488 ( 1.872 0.000 -12.594) 12.732 1.721 ( -2.771 0.000 4.402) 5.202 1.741 ( -2.161 0.000 6.929) 7.258 1.942 ( 1.558 0.000 -13.947) 14.034 1.978 ( 1.321 0.000 -12.573) 12.642 2.302 ( 14.540 0.000 17.188) 22.513 2.587 ( 7.610 0.000 -6.278) 9.866 2.849 ( -9.271 0.000 8.668) 12.691 2.920 ( 13.779 0.000 2.016) 13.926 2.924 ( -6.170 0.000 0.669) 6.206 2.971 ( 14.071 0.000 -0.863) 14.098 3.321 ( -6.675 0.000 6.288) 9.170 3.395 ( 4.190 0.000 11.567) 12.302 3.444 ( -5.252 0.000 -3.691) 6.420 3.650 ( -4.136 0.000 8.954) 9.864 3.681 ( 2.555 0.000 -13.199) 13.444 3.788 ( -3.455 0.000 7.169) 7.958 3.846 ( 1.193 0.000 16.941) 16.983 4.081 ( -9.897 0.000 -3.681) 10.559 4.339 ( -0.447 0.000 -27.094) 27.098 4.369 ( -3.221 0.000 -21.959) 22.194 4.847 ( 0.925 0.000 9.717) 9.760 5.000 ( -4.017 0.000 15.036) 15.563 5.058 ( 4.703 0.000 -10.243) 11.271 5.242 ( -1.397 0.000 -7.074) 7.211 5.518 ( 7.566 0.000 8.765) 11.579 5.614 ( 2.274 0.000 4.264) 4.833 5.668 ( 6.098 0.000 -5.069) 7.930 5.701 ( -0.443 0.000 -3.871) 3.896 5.927 ( 1.523 0.000 3.270) 3.607 5.984 ( -2.926 0.000 7.511) 8.061 6.011 ( 2.126 0.000 -3.722) 4.287 6.071 ( 0.321 0.000 1.642) 1.673 6.136 ( 3.331 0.000 3.379) 4.745 6.210 ( -0.427 0.000 -6.050) 6.065 6.505 ( -9.486 0.000 0.769) 9.517 6.523 ( -11.951 0.000 -0.716) 11.972 7.654 ( 4.285 0.000 5.455) 6.937 7.781 ( 4.786 0.000 -6.622) 8.171 7.891 ( -4.578 0.000 5.285) 6.992 8.012 ( -4.772 0.000 -6.173) 7.802 8.629 ( 0.687 0.000 5.826) 5.867 8.656 ( -1.264 0.000 7.390) 7.498 8.738 ( 1.912 0.000 -4.132) 4.553 8.767 ( -0.498 0.000 -1.007) 1.123 8.901 ( -0.999 0.000 3.956) 4.081 8.923 ( -2.272 0.000 6.154) 6.560 9.041 ( 0.011 0.000 -7.318) 7.318 9.053 ( -1.092 0.000 -5.844) 5.945 9.550 ( 3.878 0.000 4.798) 6.169 9.619 ( -2.908 0.000 5.848) 6.531 9.625 ( 0.639 0.000 -1.663) 1.781 9.708 ( -2.589 0.000 -2.979) 3.947 9.738 ( 0.823 0.000 2.084) 2.241 9.781 ( 3.158 0.000 -1.743) 3.607 9.948 ( -5.488 0.000 3.040) 6.274 10.007 ( -7.606 0.000 -2.213) 7.922 10.156 ( 5.389 0.000 3.113) 6.223 10.233 ( 2.196 0.000 -4.038) 4.596 10.340 ( -3.571 0.000 2.751) 4.508 10.379 ( -3.829 0.000 -0.528) 3.865 10.462 ( 3.895 0.000 2.549) 4.655 10.524 ( 3.920 0.000 -2.777) 4.804 10.803 ( -10.097 0.000 4.760) 11.163 10.911 ( -10.881 0.000 -4.833) 11.906 11.194 ( 8.744 0.000 4.435) 9.805 11.282 ( 5.865 0.000 -3.512) 6.836 11.349 ( 2.843 0.000 4.029) 4.931 11.412 ( 1.345 0.000 -1.345) 1.902 11.522 ( -1.155 0.000 1.352) 1.779 11.553 ( -3.790 0.000 3.449) 5.124 11.562 ( 0.335 0.000 -2.768) 2.789 11.659 ( -5.447 0.000 -6.249) 8.290 11.847 ( 4.007 0.000 2.581) 4.766 11.919 ( 2.469 0.000 -4.015) 4.713 11.971 ( -2.353 0.000 2.890) 3.727 12.040 ( -3.084 0.000 -3.617) 4.754 12.371 ( 1.479 0.000 6.990) 7.145 12.407 ( -0.333 0.000 5.885) 5.894 12.521 ( 0.763 0.000 -4.973) 5.031 12.529 ( 1.482 0.000 -7.998) 8.134 ======================= Grid point 129 (44/60) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( -0.387 0.000 9.544) 9.551 1.177 ( 0.387 0.000 9.544) 9.551 1.477 ( -0.738 0.000 -10.558) 10.584 1.477 ( 0.738 0.000 -10.558) 10.584 1.706 ( -0.533 0.000 3.727) 3.765 1.706 ( 0.533 0.000 3.727) 3.765 1.974 ( -0.783 0.000 -14.985) 15.005 1.974 ( 0.783 0.000 -14.985) 15.005 2.607 ( -13.394 0.000 12.822) 18.542 2.607 ( 13.394 0.000 12.822) 18.542 2.764 ( -8.565 0.000 -1.438) 8.685 2.764 ( 8.565 0.000 -1.438) 8.685 3.159 ( -8.795 0.000 5.168) 10.201 3.159 ( 8.795 0.000 5.168) 10.201 3.263 ( -11.698 0.000 -1.993) 11.867 3.263 ( 11.698 0.000 -1.993) 11.867 3.524 ( -6.313 0.000 8.132) 10.295 3.524 ( 6.313 0.000 8.132) 10.295 3.736 ( -0.764 0.000 0.003) 0.764 3.736 ( 0.764 0.000 0.003) 0.764 3.905 ( -5.249 0.000 4.652) 7.014 3.905 ( 5.249 0.000 4.652) 7.014 4.333 ( -0.354 0.000 -25.251) 25.253 4.333 ( 0.354 0.000 -25.251) 25.253 4.905 ( -3.963 0.000 13.904) 14.458 4.905 ( 3.963 0.000 13.904) 14.458 5.167 ( -2.573 0.000 -10.468) 10.780 5.167 ( 2.573 0.000 -10.468) 10.780 5.627 ( -0.317 0.000 7.468) 7.474 5.627 ( 0.317 0.000 7.468) 7.474 5.715 ( -0.040 0.000 -1.151) 1.152 5.715 ( 0.040 0.000 -1.151) 1.152 5.958 ( -0.335 0.000 2.720) 2.740 5.958 ( 0.335 0.000 2.720) 2.740 6.044 ( -0.228 0.000 -4.327) 4.333 6.044 ( 0.228 0.000 -4.327) 4.333 6.271 ( -9.579 0.000 2.698) 9.951 6.271 ( 9.579 0.000 2.698) 9.951 6.313 ( -7.942 0.000 -1.999) 8.190 6.313 ( 7.942 0.000 -1.999) 8.190 7.770 ( -6.026 0.000 5.402) 8.093 7.770 ( 6.026 0.000 5.402) 8.093 7.895 ( -5.819 0.000 -6.567) 8.774 7.895 ( 5.819 0.000 -6.567) 8.774 8.641 ( -0.034 0.000 7.324) 7.324 8.641 ( 0.034 0.000 7.324) 7.324 8.760 ( -0.019 0.000 -2.457) 2.457 8.760 ( 0.019 0.000 -2.457) 2.457 8.893 ( -0.016 0.000 5.230) 5.230 8.893 ( 0.016 0.000 5.230) 5.230 9.040 ( -0.001 0.000 -7.039) 7.039 9.040 ( 0.001 0.000 -7.039) 7.039 9.585 ( -0.085 0.000 4.160) 4.161 9.585 ( 0.085 0.000 4.160) 4.161 9.655 ( -1.436 0.000 -2.347) 2.751 9.655 ( 1.436 0.000 -2.347) 2.751 9.823 ( -6.320 0.000 3.165) 7.068 9.823 ( 6.320 0.000 3.165) 7.068 9.870 ( -5.022 0.000 -1.216) 5.167 9.870 ( 5.022 0.000 -1.216) 5.167 10.264 ( -4.031 0.000 1.400) 4.267 10.264 ( 4.031 0.000 1.400) 4.267 10.290 ( -3.394 0.000 -0.636) 3.453 10.290 ( 3.394 0.000 -0.636) 3.453 10.599 ( -7.453 0.000 2.913) 8.002 10.599 ( 7.453 0.000 2.913) 8.002 10.677 ( -10.160 0.000 -3.472) 10.737 10.677 ( 10.160 0.000 -3.472) 10.737 11.344 ( -1.277 0.000 2.794) 3.072 11.344 ( 1.277 0.000 2.794) 3.072 11.386 ( -2.567 0.000 -0.445) 2.605 11.386 ( 2.567 0.000 -0.445) 2.605 11.503 ( -0.000 0.000 2.703) 2.703 11.503 ( 0.000 0.000 2.703) 2.703 11.582 ( -0.282 0.000 -5.081) 5.089 11.582 ( 0.282 0.000 -5.081) 5.089 11.921 ( -0.534 0.000 1.293) 1.399 11.921 ( 0.534 0.000 1.293) 1.399 11.974 ( -0.792 0.000 -3.390) 3.481 11.974 ( 0.792 0.000 -3.390) 3.481 12.395 ( -0.539 0.000 6.963) 6.984 12.395 ( 0.539 0.000 6.963) 6.984 12.536 ( -0.176 0.000 -6.394) 6.396 12.536 ( 0.176 0.000 -6.394) 6.396 ======================= Grid point 133 (45/60) ======================= q-point: ( 0.00 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( 0.000 4.084 18.257) 18.708 1.056 ( 0.000 16.521 13.852) 21.560 1.370 ( 0.000 12.328 -2.756) 12.632 1.437 ( 0.000 14.377 -16.944) 22.222 1.790 ( 0.000 0.862 -3.035) 3.155 1.794 ( 0.000 -0.918 -5.040) 5.123 1.943 ( 0.000 4.907 -2.044) 5.316 2.022 ( 0.000 7.590 19.273) 20.714 2.027 ( 0.000 8.570 -8.961) 12.399 2.397 ( 0.000 0.162 -9.027) 9.028 2.546 ( 0.000 0.285 1.764) 1.787 2.601 ( 0.000 -0.975 -4.186) 4.298 2.981 ( 0.000 -5.967 2.933) 6.649 2.993 ( 0.000 -4.832 2.439) 5.413 3.317 ( 0.000 -1.074 8.442) 8.510 3.471 ( 0.000 -4.163 -1.215) 4.336 3.570 ( 0.000 -2.646 9.224) 9.596 3.603 ( 0.000 8.278 2.395) 8.617 3.742 ( 0.000 2.231 2.174) 3.115 3.889 ( 0.000 -1.272 0.226) 1.292 3.934 ( 0.000 8.524 7.907) 11.626 4.255 ( 0.000 -4.649 -13.507) 14.284 4.405 ( 0.000 2.230 -12.575) 12.771 4.488 ( 0.000 -3.171 -9.087) 9.624 4.830 ( 0.000 -7.278 -0.219) 7.282 4.903 ( 0.000 -1.079 -7.262) 7.342 5.057 ( 0.000 -0.344 9.847) 9.853 5.211 ( 0.000 1.225 -4.719) 4.876 5.236 ( 0.000 -3.809 8.957) 9.734 5.420 ( 0.000 -3.180 -7.480) 8.128 5.528 ( 0.000 -4.963 3.763) 6.228 5.659 ( 0.000 -10.545 -6.637) 12.460 5.830 ( 0.000 0.637 3.858) 3.910 5.879 ( 0.000 -3.047 -2.020) 3.656 6.144 ( 0.000 10.194 7.003) 12.368 6.181 ( 0.000 -2.523 5.837) 6.359 6.223 ( 0.000 8.788 -0.026) 8.788 6.292 ( 0.000 -2.845 -4.240) 5.106 6.726 ( 0.000 -1.128 5.149) 5.271 6.819 ( 0.000 -1.010 -3.641) 3.778 7.575 ( 0.000 -0.179 4.985) 4.988 7.669 ( 0.000 1.173 -3.816) 3.992 7.944 ( 0.000 -0.700 4.086) 4.146 8.053 ( 0.000 -4.629 -6.163) 7.707 8.580 ( 0.000 -3.008 1.411) 3.323 8.584 ( 0.000 -4.777 0.832) 4.849 8.781 ( 0.000 1.587 1.371) 2.098 8.794 ( 0.000 2.366 0.833) 2.508 8.946 ( 0.000 -2.283 0.425) 2.322 8.951 ( 0.000 -2.008 0.177) 2.015 9.092 ( 0.000 4.515 0.626) 4.559 9.125 ( 0.000 3.868 -1.964) 4.338 9.423 ( 0.000 -0.066 5.821) 5.821 9.551 ( 0.000 0.661 -5.631) 5.670 9.713 ( 0.000 -2.062 2.579) 3.302 9.736 ( 0.000 -1.651 2.262) 2.800 9.778 ( 0.000 0.312 -1.874) 1.900 9.805 ( 0.000 -0.490 -2.854) 2.896 9.986 ( 0.000 -2.290 7.019) 7.383 10.104 ( 0.000 -2.135 -1.737) 2.752 10.159 ( 0.000 -1.173 -0.368) 1.229 10.180 ( 0.000 -4.326 -0.878) 4.414 10.413 ( 0.000 -5.664 1.161) 5.782 10.425 ( 0.000 -1.408 0.219) 1.425 10.594 ( 0.000 6.975 -0.723) 7.013 10.605 ( 0.000 5.840 -1.423) 6.011 10.840 ( 0.000 -7.215 4.730) 8.627 10.952 ( 0.000 -6.980 -5.550) 8.918 11.032 ( 0.000 -2.281 3.331) 4.037 11.093 ( 0.000 -3.846 -2.448) 4.559 11.243 ( 0.000 -13.351 7.369) 15.250 11.262 ( 0.000 0.817 3.388) 3.485 11.453 ( 0.000 -0.374 -0.185) 0.417 11.501 ( 0.000 -5.179 -3.393) 6.191 11.649 ( 0.000 -0.837 3.502) 3.600 11.730 ( 0.000 -6.055 -4.351) 7.456 11.764 ( 0.000 3.913 4.457) 5.931 11.885 ( 0.000 3.737 -6.693) 7.666 12.202 ( 0.000 3.679 -0.110) 3.680 12.209 ( 0.000 4.474 -0.666) 4.523 12.364 ( 0.000 3.311 2.289) 4.025 12.412 ( 0.000 3.972 -2.127) 4.505 12.511 ( 0.000 10.560 7.827) 13.145 12.729 ( 0.000 17.805 -13.956) 22.622 ======================= Grid point 134 (46/60) ======================= q-point: ( 0.17 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( 4.864 8.292 17.014) 19.542 1.168 ( 6.286 16.498 13.450) 22.195 1.419 ( 4.381 8.530 -10.797) 14.440 1.490 ( 4.223 12.335 -13.249) 18.588 1.779 ( -0.106 1.388 -0.368) 1.440 1.841 ( 2.100 2.611 -2.294) 4.061 1.924 ( -1.274 4.777 -3.596) 6.113 2.021 ( 2.010 7.213 -5.522) 9.304 2.118 ( 7.035 6.635 13.782) 16.837 2.462 ( 4.958 0.300 -8.990) 10.270 2.638 ( 8.735 -0.945 1.566) 8.925 2.692 ( 8.684 -1.704 -2.903) 9.314 2.942 ( -3.558 -4.788 4.663) 7.572 2.975 ( -2.021 -3.985 0.977) 4.574 3.333 ( 1.515 -0.427 9.153) 9.287 3.444 ( -3.301 -1.961 2.485) 4.573 3.570 ( -0.873 4.808 3.287) 5.889 3.589 ( 0.145 -1.025 4.743) 4.854 3.717 ( -2.658 0.146 0.065) 2.663 3.857 ( -1.208 2.033 5.516) 6.002 3.946 ( -0.185 7.360 6.925) 10.107 4.207 ( -4.594 -4.325 -8.774) 10.807 4.378 ( -2.046 1.838 -18.137) 18.345 4.440 ( -4.023 -2.304 -12.945) 13.750 4.808 ( -1.868 -5.098 0.679) 5.472 4.891 ( 0.285 -5.339 -6.212) 8.196 5.050 ( -1.069 -1.238 11.681) 11.795 5.227 ( 2.180 -1.111 -2.964) 3.843 5.330 ( 6.009 -2.385 5.632) 8.574 5.476 ( 3.573 -4.812 -6.107) 8.557 5.574 ( 5.522 -1.185 0.342) 5.658 5.635 ( -1.089 -9.081 -4.408) 10.153 5.852 ( 2.059 -0.087 4.432) 4.887 5.916 ( 2.982 -1.949 -1.697) 3.946 6.103 ( -4.404 1.939 6.430) 8.031 6.153 ( -0.842 6.364 6.231) 8.946 6.196 ( -2.431 4.035 -0.170) 4.714 6.274 ( -1.378 1.510 -4.238) 4.705 6.659 ( -6.131 -1.168 4.068) 7.450 6.732 ( -7.884 -0.722 -2.816) 8.403 7.591 ( 1.673 -0.169 5.508) 5.760 7.704 ( 2.926 0.803 -5.201) 6.021 7.934 ( -1.223 -1.081 3.875) 4.205 8.037 ( -1.606 -4.365 -5.803) 7.437 8.568 ( -0.093 -3.639 3.783) 5.250 8.620 ( 2.018 -4.200 -0.797) 4.727 8.745 ( -2.244 1.993 3.989) 4.992 8.815 ( 0.832 1.566 -2.319) 2.919 8.885 ( -3.320 -2.200 3.477) 5.287 8.968 ( -0.161 -2.859 -3.596) 4.597 9.062 ( -2.378 4.840 2.697) 6.029 9.135 ( 0.357 4.005 -3.519) 5.343 9.460 ( 3.346 -0.043 6.154) 7.004 9.579 ( 2.029 -0.177 -4.108) 4.585 9.678 ( -2.471 -1.573 3.726) 4.739 9.723 ( -1.394 -1.300 0.377) 1.944 9.761 ( -0.775 0.096 -0.515) 0.936 9.795 ( -0.763 1.146 -2.454) 2.814 10.022 ( 2.389 -2.632 4.619) 5.828 10.060 ( -4.118 -1.230 2.831) 5.146 10.138 ( -2.453 -1.995 -0.539) 3.208 10.174 ( 1.573 -1.130 -4.274) 4.692 10.396 ( -1.738 -2.404 2.032) 3.595 10.414 ( -2.032 -1.655 -0.183) 2.627 10.498 ( -4.331 3.071 1.127) 5.427 10.541 ( -4.757 3.102 -2.824) 6.343 10.887 ( 1.071 -6.481 4.922) 8.209 10.988 ( 0.908 -5.776 -3.098) 6.617 11.044 ( -0.456 -2.239 1.670) 2.830 11.100 ( 1.239 -4.195 -2.028) 4.822 11.252 ( 3.601 -8.244 4.782) 10.188 11.315 ( 3.247 -4.265 -0.345) 5.372 11.427 ( -1.186 -2.517 2.558) 3.780 11.499 ( -0.885 -4.671 -3.275) 5.773 11.645 ( -0.508 -0.330 4.275) 4.318 11.722 ( -0.922 1.864 -0.987) 2.302 11.789 ( 2.403 -1.199 0.174) 2.691 11.882 ( 0.358 4.308 -6.337) 7.671 12.160 ( -3.316 5.434 1.590) 6.561 12.199 ( -1.431 5.078 -2.133) 5.690 12.369 ( 1.110 3.983 3.859) 5.656 12.446 ( 2.470 2.542 -2.765) 4.496 12.510 ( -0.082 9.499 6.718) 11.635 12.709 ( -1.752 15.093 -12.376) 19.597 ======================= Grid point 135 (47/60) ======================= q-point: ( 0.33 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( 6.205 8.619 14.069) 17.627 1.280 ( 4.655 17.955 9.309) 20.754 1.505 ( 2.598 6.415 -13.224) 14.926 1.557 ( 0.952 6.767 -9.778) 11.930 1.780 ( 0.423 7.026 1.242) 7.148 1.832 ( -1.319 8.871 5.430) 10.484 1.964 ( 3.390 2.976 -12.319) 13.119 2.050 ( 0.446 6.593 -12.210) 13.883 2.333 ( 12.518 3.053 15.131) 19.874 2.582 ( 6.465 -0.709 -4.607) 7.970 2.809 ( -5.126 -3.864 5.751) 8.619 2.857 ( 1.988 -3.873 2.272) 4.911 2.923 ( 6.099 -1.648 0.800) 6.368 2.956 ( 10.564 -1.832 -2.693) 11.054 3.322 ( -6.765 -1.435 4.177) 8.079 3.359 ( -2.094 -0.044 4.651) 5.101 3.531 ( -0.656 5.209 1.703) 5.519 3.607 ( -0.492 -2.059 15.589) 15.732 3.681 ( 1.031 0.317 -2.253) 2.497 3.836 ( -1.903 3.523 4.434) 5.974 3.922 ( -1.029 6.783 10.905) 12.883 4.082 ( -6.506 -0.171 -7.099) 9.630 4.327 ( -2.505 -0.772 -22.036) 22.191 4.356 ( -3.297 -1.451 -21.447) 21.747 4.790 ( 1.096 -4.536 6.102) 7.682 4.931 ( 1.659 -6.445 1.570) 6.838 5.001 ( -1.914 -4.575 4.292) 6.559 5.245 ( -1.542 -0.694 -9.090) 9.246 5.444 ( 4.149 -5.948 4.135) 8.348 5.510 ( 0.721 -9.298 -3.455) 9.946 5.683 ( 5.384 0.756 4.111) 6.816 5.750 ( 8.271 2.547 -1.657) 8.811 5.902 ( 2.601 -1.273 4.102) 5.021 5.963 ( 1.000 -0.376 1.065) 1.509 6.058 ( 1.580 3.368 2.393) 4.423 6.111 ( -3.417 2.566 -0.579) 4.312 6.169 ( 1.435 1.783 3.492) 4.175 6.247 ( -0.983 3.387 -3.400) 4.899 6.490 ( -9.286 -1.111 1.524) 9.475 6.513 ( -12.105 -0.250 -0.516) 12.119 7.652 ( 4.130 -0.207 5.815) 7.136 7.781 ( 4.338 0.169 -6.522) 7.835 7.877 ( -4.283 -1.255 4.017) 6.005 7.981 ( -3.773 -2.917 -5.789) 7.501 8.575 ( 0.687 -3.390 5.714) 6.679 8.658 ( 1.475 -4.031 -0.674) 4.345 8.702 ( -1.505 1.010 5.044) 5.360 8.801 ( -2.368 -0.782 0.549) 2.553 8.845 ( -0.171 -1.296 -0.093) 1.311 8.952 ( -1.029 -3.655 -5.071) 6.335 9.011 ( -2.063 4.629 4.695) 6.909 9.133 ( -0.384 3.940 -5.732) 6.966 9.540 ( 3.079 -0.699 5.000) 5.913 9.599 ( 0.235 -0.580 2.110) 2.201 9.640 ( -1.098 -0.127 1.468) 1.838 9.696 ( -1.305 -0.783 -2.028) 2.536 9.760 ( 1.457 1.829 1.612) 2.840 9.803 ( 2.204 1.771 -2.034) 3.483 9.955 ( -4.814 0.848 2.836) 5.651 10.002 ( -5.526 -0.335 -1.321) 5.692 10.149 ( 4.354 -0.859 2.873) 5.287 10.215 ( 1.606 -1.957 -2.985) 3.914 10.334 ( -4.121 -1.127 1.628) 4.572 10.352 ( -2.294 -1.863 0.268) 2.967 10.480 ( 1.843 1.436 0.830) 2.480 10.510 ( 3.151 -0.937 -1.913) 3.803 10.777 ( -8.728 -2.302 4.690) 10.172 10.884 ( -10.080 -2.555 -4.893) 11.493 11.105 ( 5.561 -7.738 3.056) 10.007 11.177 ( 4.508 -7.585 -3.373) 9.447 11.320 ( 0.663 -9.841 2.778) 10.247 11.358 ( -0.541 -6.684 -0.455) 6.721 11.442 ( 3.194 -0.138 2.044) 3.795 11.483 ( 0.602 -3.226 -2.117) 3.905 11.614 ( -2.341 3.419 4.594) 6.187 11.708 ( -0.608 3.303 -2.086) 3.953 11.840 ( 2.096 1.066 0.058) 2.352 11.919 ( 2.820 3.057 -5.685) 7.043 12.088 ( -2.938 5.929 2.856) 7.207 12.153 ( -2.691 5.969 -3.158) 7.269 12.408 ( 2.268 4.915 5.350) 7.610 12.480 ( -0.263 7.031 5.378) 8.856 12.526 ( 2.486 4.144 -3.339) 5.874 12.660 ( -2.830 10.166 -9.324) 14.082 ======================= Grid point 136 (48/60) ======================= q-point: (-0.50 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( 0.000 11.021 10.870) 15.480 1.345 ( 0.000 13.187 4.780) 14.026 1.534 ( 0.000 7.072 -8.034) 10.703 1.542 ( -0.000 5.305 -4.730) 7.107 1.789 ( 0.000 9.472 4.736) 10.590 1.819 ( 0.000 10.222 -2.167) 10.449 2.017 ( 0.000 5.059 -13.497) 14.414 2.041 ( 0.000 6.037 -13.900) 15.154 2.580 ( -0.000 -1.843 11.807) 11.950 2.608 ( 0.000 -0.706 11.621) 11.642 2.747 ( -0.000 -1.308 -1.235) 1.799 2.758 ( 0.000 -1.097 -2.691) 2.906 3.119 ( 0.000 -2.769 3.889) 4.774 3.146 ( -0.000 -2.098 3.416) 4.009 3.203 ( -0.000 -4.189 -2.446) 4.851 3.244 ( 0.000 -3.558 -5.482) 6.536 3.567 ( -0.000 6.151 15.269) 16.461 3.571 ( 0.000 1.871 10.007) 10.181 3.714 ( 0.000 2.291 5.391) 5.858 3.797 ( 0.000 2.353 9.007) 9.310 3.925 ( 0.000 2.055 1.527) 2.561 3.986 ( 0.000 7.293 -6.442) 9.731 4.300 ( 0.000 -3.417 -25.655) 25.882 4.315 ( 0.000 -1.286 -22.116) 22.153 4.847 ( -0.000 -4.531 8.678) 9.789 4.873 ( 0.000 -3.646 15.476) 15.900 5.039 ( 0.000 -8.606 -8.619) 12.180 5.196 ( 0.000 -1.092 -14.409) 14.450 5.482 ( 0.000 -8.436 3.683) 9.205 5.536 ( 0.000 -8.421 -1.450) 8.545 5.751 ( 0.000 5.013 9.754) 10.967 5.823 ( 0.000 2.266 3.279) 3.986 5.964 ( 0.000 1.471 -1.489) 2.093 6.018 ( 0.000 2.559 5.096) 5.702 6.022 ( -0.000 2.890 -3.990) 4.927 6.122 ( 0.000 1.970 -4.328) 4.755 6.230 ( -0.000 -2.481 2.067) 3.229 6.265 ( -0.000 -3.322 -2.099) 3.930 6.302 ( 0.000 2.857 3.532) 4.543 6.333 ( 0.000 1.440 -0.260) 1.464 7.747 ( 0.000 -1.175 5.415) 5.541 7.777 ( 0.000 -0.129 4.872) 4.874 7.878 ( 0.000 -1.061 -6.961) 7.042 7.891 ( -0.000 -0.908 -6.042) 6.109 8.586 ( 0.000 -2.974 6.226) 6.900 8.678 ( 0.000 0.674 6.792) 6.826 8.685 ( 0.000 -4.283 -2.820) 5.128 8.766 ( 0.000 -2.468 4.817) 5.412 8.844 ( 0.000 -0.794 -3.180) 3.277 8.940 ( 0.000 -4.427 -6.285) 7.687 8.987 ( 0.000 4.843 6.140) 7.820 9.127 ( 0.000 3.665 -6.564) 7.518 9.562 ( 0.000 -0.693 4.482) 4.535 9.609 ( 0.000 0.536 3.844) 3.882 9.631 ( 0.000 -1.043 -2.094) 2.340 9.674 ( 0.000 0.412 -2.100) 2.140 9.833 ( 0.000 0.789 2.221) 2.357 9.851 ( -0.000 2.951 3.573) 4.634 9.871 ( 0.000 0.235 -1.089) 1.114 9.896 ( -0.000 2.691 -0.767) 2.798 10.226 ( 0.000 -4.655 1.359) 4.850 10.249 ( 0.000 -0.915 3.319) 3.443 10.268 ( -0.000 -1.561 -1.598) 2.234 10.306 ( -0.000 0.731 -2.052) 2.178 10.552 ( 0.000 -1.770 4.401) 4.743 10.621 ( 0.000 -0.536 1.185) 1.300 10.654 ( 0.000 -1.985 -1.561) 2.525 10.668 ( -0.000 -0.469 -5.381) 5.401 11.182 ( 0.000 -9.959 2.306) 10.222 11.244 ( 0.000 -9.486 -3.326) 10.052 11.302 ( 0.000 -8.892 2.167) 9.153 11.329 ( 0.000 -7.238 -0.731) 7.274 11.492 ( 0.000 -0.318 0.876) 0.932 11.514 ( 0.000 -2.232 -1.323) 2.595 11.571 ( 0.000 5.666 6.244) 8.432 11.698 ( 0.000 3.990 -3.736) 5.466 11.866 ( 0.000 2.157 1.369) 2.555 11.961 ( 0.000 2.532 -5.868) 6.391 12.054 ( 0.000 5.209 2.498) 5.777 12.114 ( 0.000 6.511 -3.023) 7.178 12.453 ( 0.000 7.192 6.831) 9.919 12.455 ( 0.000 5.835 5.922) 8.313 12.582 ( 0.000 5.312 -6.203) 8.167 12.603 ( 0.000 6.572 -7.221) 9.764 ======================= Grid point 140 (49/60) ======================= q-point: ( 0.00 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( 0.000 8.186 14.296) 16.473 1.307 ( 0.000 10.902 3.830) 11.555 1.683 ( 0.000 16.337 -2.177) 16.481 1.709 ( 0.000 8.313 -3.679) 9.091 1.803 ( 0.000 -0.329 -3.572) 3.588 1.849 ( 0.000 10.208 -9.212) 13.750 2.073 ( 0.000 8.455 1.614) 8.608 2.186 ( 0.000 7.797 -7.228) 10.631 2.195 ( 0.000 10.116 11.001) 14.945 2.385 ( 0.000 -1.762 -5.344) 5.628 2.581 ( 0.000 3.348 -0.811) 3.445 2.603 ( 0.000 1.106 -1.878) 2.180 2.869 ( 0.000 -4.798 2.353) 5.344 2.897 ( 0.000 -3.928 -0.499) 3.960 3.331 ( 0.000 2.181 9.389) 9.639 3.395 ( 0.000 -4.259 8.540) 9.543 3.538 ( 0.000 0.201 6.508) 6.511 3.685 ( 0.000 0.032 -7.077) 7.077 3.782 ( 0.000 2.439 0.707) 2.539 3.893 ( 0.000 1.348 -0.192) 1.361 4.051 ( 0.000 0.762 4.337) 4.403 4.167 ( 0.000 -5.147 -7.595) 9.175 4.410 ( 0.000 -0.562 -1.117) 1.251 4.465 ( 0.000 3.587 -5.595) 6.646 4.739 ( 0.000 -1.405 -0.884) 1.660 4.871 ( 0.000 -4.179 -4.799) 6.364 5.056 ( 0.000 0.278 5.271) 5.279 5.132 ( 0.000 -4.508 5.196) 6.879 5.204 ( 0.000 -2.764 -4.072) 4.921 5.301 ( 0.000 -7.838 -7.881) 11.115 5.475 ( 0.000 -0.349 -0.214) 0.409 5.529 ( 0.000 -2.516 -4.375) 5.047 5.805 ( 0.000 -4.523 1.507) 4.767 5.839 ( 0.000 -0.959 -0.741) 1.212 6.125 ( 0.000 -2.930 6.103) 6.770 6.224 ( 0.000 -4.253 -3.231) 5.341 6.307 ( 0.000 5.965 5.380) 8.033 6.361 ( 0.000 4.548 0.140) 4.550 6.719 ( 0.000 1.172 6.154) 6.264 6.812 ( 0.000 0.683 -2.804) 2.886 7.566 ( 0.000 -0.805 5.441) 5.501 7.685 ( 0.000 -0.254 -5.562) 5.568 7.946 ( 0.000 1.178 -0.285) 1.212 7.967 ( 0.000 -3.261 -2.270) 3.974 8.503 ( 0.000 -4.090 0.922) 4.193 8.513 ( 0.000 -4.133 0.681) 4.189 8.766 ( 0.000 -3.019 -0.420) 3.048 8.772 ( 0.000 -3.917 -0.230) 3.924 8.941 ( 0.000 0.987 1.166) 1.528 8.944 ( 0.000 1.632 0.998) 1.913 9.181 ( 0.000 4.985 0.894) 5.065 9.205 ( 0.000 4.452 -1.501) 4.698 9.448 ( 0.000 2.860 7.531) 8.055 9.575 ( 0.000 1.542 -3.949) 4.239 9.671 ( 0.000 -1.895 3.949) 4.380 9.698 ( 0.000 -2.193 2.360) 3.222 9.776 ( 0.000 -0.380 -2.391) 2.421 9.789 ( 0.000 -1.224 -3.184) 3.411 9.944 ( 0.000 -2.338 6.305) 6.724 10.050 ( 0.000 -5.055 -1.445) 5.258 10.088 ( 0.000 -4.508 0.534) 4.540 10.114 ( 0.000 -2.140 -2.380) 3.201 10.316 ( 0.000 -3.984 4.977) 6.375 10.392 ( 0.000 -2.334 -1.840) 2.972 10.646 ( 0.000 -6.092 2.414) 6.553 10.699 ( 0.000 0.994 -2.657) 2.837 10.754 ( 0.000 2.293 1.636) 2.816 10.825 ( 0.000 -4.428 -4.949) 6.640 10.944 ( 0.000 -3.679 3.417) 5.021 10.991 ( 0.000 -4.676 -1.432) 4.890 11.100 ( 0.000 -2.351 7.370) 7.736 11.233 ( 0.000 -3.543 -3.497) 4.978 11.485 ( 0.000 3.153 -0.688) 3.227 11.488 ( 0.000 2.219 -0.439) 2.262 11.639 ( 0.000 -3.641 0.535) 3.680 11.648 ( 0.000 0.789 0.681) 1.042 11.819 ( 0.000 1.679 4.140) 4.468 11.935 ( 0.000 1.229 -6.200) 6.320 12.210 ( 0.000 -1.961 0.925) 2.168 12.221 ( 0.000 -2.301 0.023) 2.301 12.491 ( 0.000 9.336 1.833) 9.514 12.541 ( 0.000 9.021 -2.234) 9.293 12.740 ( 0.000 11.865 8.114) 14.374 13.001 ( 0.000 9.831 -16.658) 19.342 ======================= Grid point 141 (50/60) ======================= q-point: ( 0.17 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( 6.659 9.745 14.146) 18.424 1.430 ( 9.462 10.105 0.645) 13.858 1.682 ( -0.143 15.400 -2.854) 15.663 1.706 ( -0.640 6.638 -1.909) 6.937 1.855 ( 5.620 5.526 -3.088) 8.465 1.923 ( 5.172 9.172 -8.242) 13.372 2.066 ( -0.733 8.766 1.771) 8.973 2.168 ( 0.995 8.099 -2.824) 8.635 2.270 ( 4.742 8.706 5.947) 11.560 2.448 ( 5.052 -2.054 -5.319) 7.618 2.633 ( 5.021 0.377 0.067) 5.036 2.667 ( 5.686 -1.060 -1.923) 6.096 2.863 ( -0.528 -2.552 1.617) 3.066 2.892 ( -0.728 -3.660 -1.329) 3.962 3.326 ( 0.080 -1.286 10.352) 10.432 3.412 ( 0.567 -0.307 5.861) 5.896 3.562 ( 1.690 0.217 10.178) 10.319 3.651 ( -2.162 1.479 -3.382) 4.278 3.730 ( -4.709 1.983 -0.468) 5.131 3.879 ( 0.142 -0.493 -0.796) 0.947 4.066 ( -0.462 1.773 2.150) 2.825 4.143 ( -1.698 -1.694 -2.170) 3.234 4.371 ( -3.249 -1.687 -5.417) 6.538 4.420 ( -3.250 2.442 -7.459) 8.495 4.730 ( -0.513 -1.358 -2.049) 2.511 4.847 ( -2.462 -1.100 -8.134) 8.570 5.003 ( -4.113 -3.169 9.405) 10.743 5.149 ( 2.937 -6.333 1.171) 7.078 5.265 ( 3.482 -5.184 -2.164) 6.609 5.336 ( 1.168 -6.954 -9.200) 11.591 5.520 ( 4.623 -1.232 1.836) 5.124 5.584 ( 6.526 0.943 -3.272) 7.361 5.830 ( 2.369 -3.368 3.302) 5.278 5.891 ( 3.781 -1.167 -1.405) 4.199 6.099 ( -1.803 -1.620 5.255) 5.787 6.185 ( -2.804 -2.791 -2.514) 4.687 6.276 ( -2.931 4.596 5.514) 7.754 6.342 ( -2.010 2.846 -0.735) 3.561 6.655 ( -5.727 1.670 5.740) 8.279 6.737 ( -6.896 1.507 -2.010) 7.339 7.585 ( 1.944 -0.463 5.838) 6.170 7.715 ( 2.604 -0.266 -6.286) 6.809 7.924 ( -2.103 0.120 0.243) 2.120 7.956 ( -0.925 -2.827 -2.852) 4.121 8.498 ( 0.158 -3.786 2.948) 4.801 8.540 ( 1.794 -4.374 -0.714) 4.781 8.734 ( -2.015 -2.736 1.747) 3.820 8.784 ( 0.040 -4.101 -3.063) 5.119 8.880 ( -3.505 1.291 3.802) 5.330 8.951 ( -1.078 0.659 -2.522) 2.821 9.153 ( -2.349 4.621 3.081) 6.030 9.212 ( -0.080 4.119 -2.464) 4.800 9.477 ( 2.609 1.967 6.751) 7.500 9.584 ( 0.504 0.364 -1.852) 1.953 9.646 ( -1.193 -1.427 3.443) 3.913 9.700 ( -0.868 -1.152 0.814) 1.656 9.755 ( 0.439 -0.675 -0.668) 1.047 9.811 ( 0.619 0.637 -3.789) 3.892 9.976 ( 1.999 -2.366 4.291) 5.292 10.023 ( -1.429 -3.413 1.296) 3.920 10.079 ( -0.256 -3.396 1.307) 3.648 10.141 ( 2.047 -1.853 -3.834) 4.724 10.340 ( 1.129 -2.591 3.267) 4.320 10.385 ( -1.871 -1.694 -0.908) 2.682 10.525 ( -6.808 -1.645 2.059) 7.301 10.587 ( -6.443 0.691 -3.174) 7.216 10.789 ( 1.280 -2.948 3.107) 4.470 10.869 ( 2.512 -5.738 -4.333) 7.616 10.943 ( -2.363 -6.011 4.665) 7.967 11.023 ( 1.427 -4.569 -2.429) 5.367 11.125 ( 1.648 -2.035 3.635) 4.480 11.214 ( -0.763 -4.944 -4.016) 6.415 11.446 ( -1.796 1.777 1.195) 2.794 11.469 ( -1.348 0.269 -1.155) 1.796 11.649 ( 2.116 0.559 4.746) 5.226 11.742 ( 4.680 1.391 -3.667) 6.106 11.803 ( -0.533 1.087 5.836) 5.960 11.941 ( 0.835 1.553 -6.625) 6.855 12.193 ( -1.528 -1.023 1.935) 2.670 12.226 ( -0.113 -1.300 -0.961) 1.621 12.507 ( 1.612 9.531 1.839) 9.839 12.557 ( 1.684 8.504 -2.338) 8.979 12.726 ( -1.245 11.568 7.208) 13.687 12.957 ( -3.859 9.754 -14.463) 17.867 ======================= Grid point 142 (51/60) ======================= q-point: ( 0.33 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( 7.792 11.293 12.008) 18.233 1.603 ( 4.636 10.007 -1.631) 11.149 1.652 ( -1.546 11.436 1.292) 11.612 1.709 ( 0.432 9.249 -2.724) 9.652 1.981 ( 4.650 12.154 -4.312) 13.709 2.028 ( 3.762 9.909 -1.516) 10.707 2.068 ( 2.179 9.214 -4.041) 10.294 2.196 ( 0.763 8.082 -8.572) 11.806 2.406 ( 7.924 4.348 8.888) 12.676 2.555 ( 4.368 -1.993 -1.007) 4.906 2.727 ( 0.608 -4.509 1.246) 4.717 2.778 ( 0.436 -4.671 -0.811) 4.761 2.882 ( 5.012 -2.454 -0.240) 5.586 2.916 ( 7.188 -1.759 -4.098) 8.459 3.282 ( -6.527 -2.600 5.058) 8.657 3.355 ( -7.123 -0.881 -0.177) 7.180 3.565 ( -0.536 -0.694 15.546) 15.571 3.653 ( 3.749 6.774 7.795) 10.987 3.716 ( 4.219 2.733 2.348) 5.548 3.896 ( -0.058 2.145 2.880) 3.592 3.993 ( -3.849 -0.746 0.820) 4.005 4.125 ( -0.963 5.308 0.000) 5.395 4.287 ( -4.406 -3.218 -14.416) 15.414 4.352 ( -3.182 1.660 -12.857) 13.349 4.730 ( 0.663 -1.366 -1.189) 1.929 4.826 ( 1.672 -3.591 -6.809) 7.878 4.901 ( -5.235 -5.454 9.731) 12.322 5.181 ( -1.994 -6.890 -12.061) 14.033 5.314 ( 1.913 -5.877 1.266) 6.309 5.368 ( 2.988 -5.081 -3.867) 7.050 5.685 ( 9.249 -0.152 5.604) 10.816 5.768 ( 8.828 -0.006 -1.890) 9.028 5.874 ( 2.068 -2.752 3.651) 5.018 5.948 ( 1.633 -1.516 -1.572) 2.727 6.106 ( 3.196 -0.115 3.237) 4.551 6.156 ( -0.500 2.097 -0.403) 2.193 6.186 ( -4.226 -0.232 4.859) 6.444 6.268 ( -5.155 -0.436 -2.544) 5.766 6.503 ( -7.898 3.061 4.422) 9.555 6.546 ( -10.241 3.507 0.410) 10.833 7.650 ( 4.162 0.140 5.751) 7.100 7.783 ( 3.585 -0.502 -6.445) 7.392 7.859 ( -3.870 -0.094 1.611) 4.193 7.927 ( -2.051 -2.134 -4.624) 5.490 8.512 ( 1.115 -3.338 4.571) 5.768 8.578 ( 1.706 -4.262 -1.027) 4.704 8.689 ( -2.175 -2.263 2.721) 4.154 8.757 ( -2.648 -3.567 -0.762) 4.507 8.825 ( -1.242 -0.479 0.879) 1.596 8.911 ( -2.155 -1.111 -4.184) 4.836 9.098 ( -2.381 4.224 4.698) 6.751 9.194 ( -1.296 2.564 -4.211) 5.097 9.534 ( 1.991 0.052 5.096) 5.471 9.594 ( 0.739 -0.185 1.238) 1.454 9.630 ( -0.719 -0.572 2.107) 2.299 9.681 ( -0.676 -0.708 -1.096) 1.470 9.787 ( 2.522 0.718 1.475) 3.008 9.834 ( 2.090 1.518 -2.002) 3.268 9.969 ( -2.017 -0.246 3.532) 4.075 10.006 ( -2.130 1.106 0.291) 2.418 10.106 ( 2.637 -3.874 2.383) 5.257 10.169 ( 0.449 -2.368 -3.000) 3.848 10.298 ( -4.274 -1.902 1.125) 4.812 10.336 ( -1.021 -0.023 -1.144) 1.533 10.473 ( 1.574 -1.693 1.335) 2.669 10.523 ( 1.053 1.323 -2.513) 3.029 10.736 ( -6.385 -1.748 4.340) 7.916 10.827 ( -7.503 -3.328 -3.935) 9.103 10.947 ( 2.957 -7.817 2.492) 8.722 11.034 ( 2.296 -7.494 -4.656) 9.116 11.144 ( -0.165 -6.686 2.855) 7.271 11.204 ( -1.373 -6.889 -2.449) 7.439 11.448 ( 1.946 -0.276 0.920) 2.170 11.466 ( 1.163 0.106 -1.063) 1.579 11.676 ( -0.303 2.646 5.589) 6.191 11.743 ( -1.746 0.377 1.172) 2.136 11.879 ( 4.644 2.547 1.158) 5.422 11.980 ( 2.844 2.642 -6.483) 7.556 12.146 ( -2.687 0.876 3.219) 4.283 12.207 ( -1.569 0.629 -2.028) 2.640 12.557 ( 2.821 9.613 2.430) 10.309 12.617 ( 3.752 7.861 -1.987) 8.935 12.693 ( -1.578 10.938 3.951) 11.736 12.856 ( -5.347 9.271 -10.151) 14.751 ======================= Grid point 143 (52/60) ======================= q-point: (-0.50 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( 0.000 12.581 8.826) 15.368 1.582 ( 0.000 11.243 6.101) 12.792 1.664 ( 0.000 7.492 0.663) 7.521 1.722 ( 0.000 11.006 -6.391) 12.726 2.032 ( 0.000 14.895 2.572) 15.116 2.047 ( 0.000 12.587 -5.539) 13.751 2.137 ( 0.000 6.528 -9.565) 11.580 2.190 ( 0.000 9.497 -9.471) 13.412 2.549 ( -0.000 -1.083 9.231) 9.295 2.580 ( 0.000 -2.322 8.605) 8.912 2.719 ( -0.000 -1.698 -2.889) 3.351 2.723 ( 0.000 -2.649 -3.826) 4.654 3.067 ( -0.000 -3.197 2.066) 3.806 3.086 ( 0.000 -4.131 1.814) 4.512 3.122 ( -0.000 -3.505 -4.421) 5.642 3.160 ( 0.000 -5.029 -5.178) 7.218 3.584 ( 0.000 0.170 17.154) 17.155 3.704 ( 0.000 7.401 17.369) 18.880 3.802 ( 0.000 5.454 2.549) 6.020 3.869 ( 0.000 6.116 10.497) 12.149 3.956 ( 0.000 1.050 0.813) 1.328 4.115 ( 0.000 5.193 -6.118) 8.025 4.222 ( 0.000 -4.261 -19.935) 20.385 4.309 ( 0.000 0.689 -16.377) 16.391 4.767 ( -0.000 -3.328 1.085) 3.501 4.803 ( 0.000 -2.737 11.628) 11.945 4.877 ( 0.000 -7.742 -7.798) 10.989 5.130 ( 0.000 -5.649 -17.278) 18.178 5.342 ( 0.000 -5.197 2.980) 5.990 5.410 ( 0.000 -5.349 -3.069) 6.167 5.791 ( 0.000 -0.463 6.226) 6.243 5.834 ( 0.000 -0.535 3.171) 3.216 6.002 ( -0.000 1.853 1.883) 2.642 6.007 ( 0.000 -3.827 4.234) 5.707 6.081 ( 0.000 1.382 -2.506) 2.862 6.083 ( -0.000 -4.823 -3.154) 5.763 6.189 ( -0.000 -1.923 1.811) 2.641 6.229 ( 0.000 1.295 -1.140) 1.725 6.390 ( 0.000 4.837 3.624) 6.044 6.395 ( 0.000 5.322 3.086) 6.152 7.736 ( 0.000 0.207 4.795) 4.799 7.771 ( -0.000 -0.269 4.008) 4.017 7.864 ( 0.000 -0.297 -7.257) 7.263 7.870 ( -0.000 -1.032 -5.505) 5.601 8.530 ( 0.000 -2.939 4.948) 5.754 8.609 ( 0.000 -3.691 -2.569) 4.497 8.650 ( 0.000 -3.207 4.654) 5.651 8.720 ( 0.000 -2.672 2.690) 3.792 8.813 ( 0.000 -1.776 -2.370) 2.962 8.885 ( 0.000 -2.215 -4.673) 5.171 9.070 ( 0.000 3.953 4.868) 6.271 9.177 ( 0.000 1.698 -5.022) 5.301 9.554 ( 0.000 -0.382 4.708) 4.724 9.610 ( 0.000 0.016 3.590) 3.590 9.613 ( -0.000 -0.975 -0.978) 1.381 9.673 ( 0.000 -0.294 -1.915) 1.938 9.838 ( 0.000 -0.246 2.291) 2.304 9.888 ( 0.000 1.594 -1.804) 2.407 9.914 ( -0.000 2.443 5.478) 5.998 9.957 ( -0.000 3.348 0.389) 3.370 10.124 ( 0.000 -4.920 1.809) 5.242 10.217 ( 0.000 -3.486 -5.645) 6.634 10.226 ( -0.000 -1.700 4.958) 5.242 10.321 ( 0.000 0.664 -3.541) 3.603 10.544 ( -0.000 0.754 5.289) 5.342 10.583 ( 0.000 -2.451 1.537) 2.893 10.624 ( 0.000 -1.220 -2.289) 2.594 10.672 ( 0.000 0.945 -6.128) 6.201 10.994 ( 0.000 -9.439 2.936) 9.885 11.080 ( 0.000 -7.610 -4.899) 9.051 11.126 ( 0.000 -8.264 3.095) 8.825 11.177 ( 0.000 -7.491 -1.874) 7.722 11.483 ( 0.000 -1.155 -0.048) 1.156 11.488 ( 0.000 -0.335 -0.563) 0.655 11.658 ( 0.000 2.877 5.376) 6.097 11.721 ( 0.000 -0.714 1.004) 1.232 11.934 ( 0.000 3.570 1.131) 3.745 12.028 ( 0.000 4.152 -6.388) 7.619 12.105 ( 0.000 0.755 4.481) 4.544 12.183 ( 0.000 1.578 -2.517) 2.971 12.602 ( 0.000 8.831 4.160) 9.762 12.644 ( 0.000 11.326 4.052) 12.029 12.716 ( 0.000 7.908 -6.481) 10.225 12.760 ( 0.000 8.951 -6.599) 11.121 ======================= Grid point 147 (53/60) ======================= q-point: ( 0.00 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( 0.000 10.314 10.613) 14.799 1.492 ( 0.000 8.774 -1.475) 8.897 1.701 ( 0.000 -7.111 1.279) 7.225 1.730 ( 0.000 -2.707 -1.708) 3.201 1.977 ( 0.000 11.581 3.478) 12.091 2.102 ( 0.000 10.392 -7.274) 12.685 2.222 ( 0.000 6.527 1.670) 6.738 2.303 ( 0.000 3.759 -4.034) 5.514 2.351 ( 0.000 0.501 -0.182) 0.533 2.373 ( 0.000 8.011 -1.876) 8.228 2.597 ( 0.000 -2.132 -0.973) 2.344 2.608 ( 0.000 -1.971 -2.281) 3.015 2.836 ( 0.000 1.129 -0.592) 1.275 2.878 ( 0.000 0.700 -4.893) 4.942 3.338 ( 0.000 -0.746 11.278) 11.302 3.379 ( 0.000 1.802 9.084) 9.261 3.580 ( 0.000 4.034 4.335) 5.922 3.661 ( 0.000 -0.712 -7.143) 7.178 3.831 ( 0.000 1.767 1.560) 2.357 3.894 ( 0.000 -2.428 -0.718) 2.531 3.996 ( 0.000 -2.813 -0.375) 2.838 4.059 ( 0.000 -4.319 -7.415) 8.582 4.423 ( 0.000 0.138 11.024) 11.025 4.535 ( 0.000 -2.572 2.676) 3.712 4.751 ( 0.000 2.604 -2.136) 3.368 4.801 ( 0.000 1.462 -5.332) 5.529 5.021 ( 0.000 -1.709 5.539) 5.797 5.122 ( 0.000 -3.351 -1.596) 3.712 5.157 ( 0.000 4.359 -2.926) 5.250 5.223 ( 0.000 -1.231 -7.426) 7.527 5.480 ( 0.000 -0.099 -1.657) 1.660 5.504 ( 0.000 -1.658 -2.342) 2.870 5.724 ( 0.000 -3.284 0.135) 3.287 5.783 ( 0.000 -4.557 -4.131) 6.150 6.074 ( 0.000 -2.068 3.513) 4.077 6.133 ( 0.000 -4.901 -1.837) 5.234 6.369 ( 0.000 1.453 4.105) 4.355 6.398 ( 0.000 0.082 1.302) 1.305 6.776 ( 0.000 4.047 5.590) 6.901 6.838 ( 0.000 1.308 -0.469) 1.390 7.555 ( 0.000 0.089 3.079) 3.080 7.643 ( 0.000 -3.638 -5.146) 6.302 7.958 ( 0.000 1.809 0.030) 1.809 7.981 ( 0.000 1.964 -2.357) 3.068 8.426 ( 0.000 -3.836 0.310) 3.849 8.431 ( 0.000 -4.058 0.133) 4.060 8.695 ( 0.000 -3.266 -0.949) 3.401 8.701 ( 0.000 -3.128 -1.862) 3.640 8.970 ( 0.000 1.655 2.385) 2.903 8.978 ( 0.000 1.504 1.690) 2.262 9.278 ( 0.000 4.808 2.345) 5.349 9.287 ( 0.000 3.900 1.169) 4.071 9.513 ( 0.000 3.266 5.076) 6.036 9.577 ( 0.000 -1.438 -0.018) 1.439 9.662 ( 0.000 0.683 3.901) 3.960 9.665 ( 0.000 -0.871 3.964) 4.059 9.768 ( 0.000 -0.374 -3.161) 3.183 9.768 ( 0.000 -0.545 -4.195) 4.230 9.879 ( 0.000 -4.301 2.510) 4.980 9.921 ( 0.000 -7.220 -0.567) 7.242 10.041 ( 0.000 -0.293 2.188) 2.208 10.088 ( 0.000 -1.337 -0.548) 1.445 10.271 ( 0.000 -0.743 1.961) 2.097 10.338 ( 0.000 -3.175 -2.841) 4.260 10.534 ( 0.000 -3.711 1.827) 4.136 10.604 ( 0.000 -6.539 -4.591) 7.990 10.781 ( 0.000 0.110 0.784) 0.791 10.806 ( 0.000 -0.841 -1.740) 1.932 10.942 ( 0.000 1.666 1.639) 2.337 10.958 ( 0.000 0.391 -0.008) 0.391 11.093 ( 0.000 1.203 2.717) 2.971 11.170 ( 0.000 -2.711 -3.797) 4.665 11.505 ( 0.000 -0.397 0.306) 0.501 11.516 ( 0.000 -1.197 -0.953) 1.530 11.644 ( 0.000 4.645 4.177) 6.247 11.695 ( 0.000 3.921 0.125) 3.923 11.834 ( 0.000 0.280 3.370) 3.381 11.928 ( 0.000 -2.046 -4.682) 5.110 12.157 ( 0.000 -3.053 0.669) 3.125 12.158 ( 0.000 -3.491 0.721) 3.565 12.664 ( 0.000 7.758 1.716) 7.945 12.700 ( 0.000 6.488 -0.586) 6.514 12.932 ( 0.000 8.516 2.495) 8.874 13.100 ( 0.000 1.117 -12.307) 12.357 ======================= Grid point 148 (54/60) ======================= q-point: ( 0.17 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( 7.649 10.195 10.365) 16.428 1.590 ( 7.173 6.870 -2.642) 10.278 1.740 ( 2.766 -1.736 2.494) 4.109 1.791 ( 5.715 -1.789 -0.656) 6.024 2.027 ( 4.378 11.370 2.529) 12.443 2.149 ( 4.200 9.443 -5.660) 11.784 2.209 ( -0.251 6.613 1.497) 6.785 2.317 ( 1.016 6.311 -4.854) 8.027 2.380 ( 3.309 0.805 0.997) 3.548 2.431 ( 4.276 3.454 -3.165) 6.343 2.617 ( 0.940 -2.978 -0.923) 3.257 2.632 ( 2.684 -2.234 -1.756) 3.909 2.839 ( -0.305 -0.123 -1.632) 1.664 2.876 ( -0.171 0.346 -4.889) 4.904 3.304 ( -1.177 0.407 11.356) 11.424 3.421 ( 0.993 -0.126 4.685) 4.791 3.595 ( 0.523 2.990 6.939) 7.574 3.657 ( 0.246 0.198 -1.627) 1.657 3.777 ( -3.681 2.088 -0.463) 4.257 3.843 ( -0.649 -2.312 -1.667) 2.923 4.048 ( 0.037 -0.755 -1.816) 1.967 4.080 ( 3.296 -4.564 -3.643) 6.705 4.380 ( -3.515 1.468 9.118) 9.881 4.486 ( -3.891 0.059 1.534) 4.183 4.736 ( -0.805 1.423 -0.757) 1.802 4.833 ( 0.185 1.537 -8.292) 8.436 4.955 ( -6.084 -1.717 3.089) 7.036 5.054 ( -1.648 -2.624 -3.397) 4.598 5.176 ( 2.688 -1.640 -1.521) 3.497 5.273 ( 1.393 -1.666 -9.731) 9.970 5.515 ( 4.854 -0.429 3.239) 5.851 5.604 ( 7.352 0.677 -3.353) 8.109 5.751 ( 2.867 -4.263 3.144) 6.023 5.850 ( 4.501 -2.861 -4.664) 7.085 6.054 ( -1.426 -2.370 3.127) 4.175 6.106 ( -1.824 -4.866 -1.497) 5.408 6.329 ( -3.611 1.543 4.525) 5.992 6.370 ( -2.672 0.633 0.700) 2.834 6.719 ( -5.253 4.049 5.634) 8.702 6.774 ( -5.911 1.658 0.250) 6.144 7.582 ( 2.568 0.463 3.417) 4.299 7.675 ( 2.814 -3.536 -5.235) 6.916 7.935 ( -1.946 1.708 -0.329) 2.610 7.958 ( -1.931 1.429 -2.601) 3.541 8.428 ( 0.695 -3.204 1.780) 3.731 8.456 ( 1.743 -4.307 -0.605) 4.686 8.680 ( -1.152 -2.337 -0.350) 2.629 8.703 ( -0.267 -3.657 -2.723) 4.568 8.915 ( -3.808 2.011 3.594) 5.609 8.963 ( -2.478 0.286 -0.696) 2.590 9.236 ( -3.061 3.953 3.656) 6.194 9.283 ( -1.489 3.083 -0.930) 3.548 9.520 ( 0.714 1.940 4.671) 5.108 9.576 ( 0.119 -1.161 0.378) 1.227 9.634 ( -0.696 0.169 3.433) 3.507 9.686 ( -0.796 -0.405 2.423) 2.583 9.743 ( 1.648 -0.270 -0.058) 1.671 9.818 ( 1.676 -0.059 -3.949) 4.291 9.925 ( 3.159 -3.109 2.062) 4.889 9.933 ( 1.445 -4.643 1.006) 4.966 10.038 ( 0.568 -0.977 2.099) 2.384 10.115 ( 1.619 -0.984 -2.916) 3.478 10.307 ( 3.162 -1.156 2.747) 4.345 10.360 ( 0.135 -0.410 -1.190) 1.266 10.462 ( -5.028 -3.264 1.654) 6.219 10.541 ( -4.277 -4.658 -5.036) 8.084 10.769 ( -2.529 -0.110 1.374) 2.880 10.797 ( 0.917 -2.054 -1.078) 2.494 10.875 ( -3.276 -1.596 1.939) 4.128 10.946 ( -2.009 -3.034 -3.553) 5.085 11.127 ( -0.406 1.285 1.752) 2.210 11.166 ( -0.290 -0.703 -2.110) 2.243 11.458 ( -2.881 -0.043 0.104) 2.883 11.469 ( -1.868 -0.598 -1.049) 2.225 11.688 ( 2.832 3.452 5.670) 7.217 11.778 ( 2.813 1.541 -1.672) 3.617 11.819 ( 1.093 1.085 5.138) 5.363 11.941 ( 1.674 -1.449 -5.046) 5.511 12.156 ( 0.246 -2.074 1.820) 2.771 12.184 ( 1.508 -2.481 -0.678) 2.981 12.678 ( 1.521 7.573 1.323) 7.837 12.711 ( 1.088 6.423 -0.774) 6.560 12.915 ( -1.477 8.330 2.181) 8.737 13.065 ( -3.164 1.865 -10.952) 11.551 ======================= Grid point 149 (55/60) ======================= q-point: ( 0.33 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( 8.306 10.414 9.250) 16.217 1.711 ( 3.310 3.862 2.263) 5.567 1.815 ( 4.566 3.788 0.776) 5.983 1.872 ( -0.018 5.982 -0.327) 5.991 2.150 ( 5.409 6.571 1.361) 8.619 2.211 ( 3.031 7.828 -4.625) 9.584 2.266 ( 3.496 10.098 0.204) 10.688 2.346 ( 1.960 7.507 -6.183) 9.921 2.469 ( 4.196 0.959 2.587) 5.022 2.527 ( 3.738 -0.115 -1.350) 3.976 2.638 ( 1.184 -4.851 -0.273) 5.001 2.687 ( 0.908 -4.485 -3.503) 5.763 2.837 ( 3.067 -2.066 -1.198) 3.887 2.891 ( 2.770 -1.253 -6.000) 6.726 3.237 ( -7.647 -1.429 5.480) 9.516 3.322 ( -10.047 -2.842 -1.811) 10.597 3.586 ( -0.078 3.144 12.306) 12.702 3.736 ( 7.097 0.400 4.042) 8.177 3.802 ( 5.815 6.516 3.514) 9.414 3.904 ( 5.355 -0.852 0.192) 5.426 3.993 ( -3.118 1.733 1.988) 4.083 4.146 ( 1.468 -2.617 -4.596) 5.489 4.285 ( -5.528 2.432 4.776) 7.700 4.388 ( -5.397 0.543 -0.568) 5.454 4.725 ( 0.032 0.496 -4.360) 4.389 4.788 ( -2.865 -1.467 -8.937) 9.499 4.838 ( -3.919 -0.213 3.256) 5.100 5.045 ( -0.879 -5.217 -10.689) 11.927 5.247 ( 3.020 -1.939 -1.919) 4.070 5.300 ( 1.912 -2.518 -6.692) 7.401 5.673 ( 8.929 -1.232 5.939) 10.795 5.767 ( 5.787 -0.547 0.117) 5.814 5.805 ( 2.878 -2.905 2.193) 4.640 5.914 ( 1.776 -2.300 -4.809) 5.618 6.058 ( 1.640 -3.261 2.780) 4.589 6.093 ( 0.584 -4.717 -0.066) 4.753 6.231 ( -5.014 2.296 4.985) 7.433 6.295 ( -3.517 2.376 -0.540) 4.278 6.576 ( -7.410 3.761 5.248) 9.828 6.609 ( -8.880 2.397 2.226) 9.463 7.661 ( 4.755 1.156 3.650) 6.105 7.748 ( 3.579 -2.797 -3.634) 5.817 7.883 ( -2.885 2.011 -1.619) 3.872 7.911 ( -2.342 0.173 -3.672) 4.358 8.454 ( 1.654 -2.397 3.357) 4.444 8.499 ( 2.396 -3.829 -0.487) 4.543 8.645 ( -2.420 -1.956 0.464) 3.146 8.685 ( -1.354 -3.248 -2.712) 4.442 8.833 ( -3.387 0.943 1.953) 4.022 8.887 ( -3.919 -1.506 -2.447) 4.859 9.167 ( -2.867 3.054 3.363) 5.372 9.230 ( -2.764 1.260 -2.585) 3.989 9.537 ( 0.685 0.087 4.693) 4.743 9.586 ( 0.639 -0.668 0.312) 0.976 9.629 ( -0.263 0.527 3.171) 3.226 9.671 ( -0.391 -0.492 0.051) 0.631 9.792 ( 2.597 0.046 3.348) 4.238 9.851 ( 2.030 -0.149 0.284) 2.055 9.945 ( 0.278 -1.437 4.009) 4.268 10.020 ( 3.602 -0.998 -0.988) 3.866 10.050 ( 0.301 -0.516 1.200) 1.340 10.126 ( -0.557 -1.972 -5.589) 5.953 10.274 ( -5.399 -0.705 3.099) 6.265 10.346 ( -1.404 0.855 -2.540) 3.026 10.439 ( 3.876 -1.513 2.614) 4.914 10.528 ( 2.985 -0.680 -4.300) 5.278 10.702 ( -2.972 -2.315 4.414) 5.803 10.776 ( -6.782 -1.262 -1.088) 6.984 10.846 ( 1.627 -2.763 -0.768) 3.297 10.907 ( 0.525 -5.446 -4.989) 7.404 11.078 ( -3.129 -1.093 1.709) 3.729 11.119 ( -3.849 -2.523 -1.853) 4.961 11.444 ( 1.256 0.011 0.512) 1.357 11.462 ( 0.863 -0.496 -1.316) 1.650 11.706 ( -1.187 0.730 3.990) 4.227 11.732 ( -3.179 -1.014 2.163) 3.977 11.927 ( 5.162 2.276 2.933) 6.359 12.012 ( 4.660 0.794 -3.312) 5.772 12.150 ( -1.107 0.133 1.991) 2.282 12.203 ( 0.109 -0.641 -2.015) 2.117 12.723 ( 2.174 7.023 1.139) 7.440 12.756 ( 3.433 5.779 -1.098) 6.811 12.878 ( -1.870 8.063 0.643) 8.302 12.979 ( -4.647 3.449 -7.914) 9.804 ======================= Grid point 150 (56/60) ======================= q-point: (-0.50 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( 0.000 7.247 10.289) 12.585 1.775 ( 0.000 8.984 6.210) 10.921 1.816 ( 0.000 7.794 0.715) 7.827 1.882 ( 0.000 5.091 -3.453) 6.151 2.190 ( 0.000 1.340 -0.940) 1.637 2.287 ( -0.000 9.616 -9.168) 13.286 2.291 ( 0.000 11.286 1.624) 11.402 2.377 ( 0.000 9.483 -5.829) 11.132 2.525 ( 0.000 -3.138 6.839) 7.524 2.547 ( 0.000 0.538 3.049) 3.096 2.657 ( -0.000 -4.301 -4.814) 6.456 2.672 ( 0.000 -3.503 -4.397) 5.622 3.000 ( -0.000 -2.596 3.448) 4.316 3.008 ( 0.000 -3.399 -0.572) 3.447 3.059 ( -0.000 -5.359 -4.733) 7.150 3.081 ( 0.000 -1.666 -5.306) 5.562 3.604 ( 0.000 2.207 14.102) 14.274 3.845 ( -0.000 -1.247 -5.905) 6.036 3.846 ( 0.000 7.645 16.055) 17.783 4.003 ( 0.000 4.102 6.256) 7.481 4.009 ( 0.000 7.662 6.890) 10.304 4.150 ( 0.000 -3.310 -6.470) 7.267 4.170 ( 0.000 0.394 1.910) 1.950 4.311 ( 0.000 -1.181 -7.093) 7.190 4.729 ( 0.000 -0.993 -6.002) 6.083 4.765 ( 0.000 -3.930 -8.061) 8.968 4.792 ( 0.000 1.237 3.185) 3.417 5.026 ( 0.000 -4.096 -14.175) 14.755 5.280 ( 0.000 -2.067 -1.706) 2.680 5.329 ( 0.000 -3.214 -4.998) 5.943 5.761 ( 0.000 -1.902 4.473) 4.860 5.810 ( 0.000 -1.795 0.222) 1.808 5.905 ( -0.000 -5.623 4.749) 7.360 5.991 ( 0.000 -4.045 -3.640) 5.442 6.012 ( 0.000 -0.174 3.161) 3.166 6.078 ( 0.000 -0.897 -2.395) 2.557 6.186 ( 0.000 1.175 6.529) 6.634 6.278 ( 0.000 2.540 -1.825) 3.127 6.471 ( 0.000 3.335 5.101) 6.094 6.484 ( 0.000 3.480 3.866) 5.202 7.752 ( 0.000 1.186 3.652) 3.840 7.771 ( -0.000 0.232 3.164) 3.172 7.857 ( 0.000 -0.306 -5.212) 5.221 7.864 ( 0.000 0.150 -7.041) 7.043 8.479 ( 0.000 -2.226 4.216) 4.767 8.552 ( 0.000 -2.232 -2.866) 3.633 8.585 ( 0.000 -3.125 4.428) 5.420 8.667 ( 0.000 -2.401 -2.406) 3.399 8.794 ( 0.000 -0.378 -0.375) 0.532 8.839 ( 0.000 -2.467 -3.295) 4.116 9.134 ( 0.000 2.771 2.977) 4.067 9.197 ( 0.000 0.510 -2.968) 3.012 9.544 ( 0.000 -0.658 5.137) 5.179 9.598 ( 0.000 -0.506 -0.181) 0.538 9.619 ( 0.000 0.857 3.053) 3.171 9.667 ( 0.000 -0.423 -1.025) 1.109 9.832 ( 0.000 -0.368 4.217) 4.233 9.905 ( 0.000 -2.436 10.235) 10.520 9.918 ( -0.000 1.362 -3.590) 3.840 10.018 ( 0.000 2.691 0.036) 2.691 10.074 ( 0.000 -0.984 -0.656) 1.182 10.156 ( 0.000 -2.446 -8.060) 8.423 10.186 ( 0.000 -2.173 6.132) 6.506 10.321 ( 0.000 -0.669 -5.766) 5.805 10.558 ( 0.000 0.061 2.737) 2.738 10.569 ( 0.000 1.607 5.313) 5.551 10.610 ( 0.000 -0.370 -2.102) 2.135 10.691 ( 0.000 0.589 -5.733) 5.763 10.846 ( 0.000 -5.704 3.021) 6.455 10.959 ( 0.000 -5.050 -6.810) 8.478 11.019 ( 0.000 -2.860 3.107) 4.223 11.067 ( 0.000 -4.155 -1.606) 4.454 11.467 ( 0.000 -0.453 0.199) 0.495 11.480 ( 0.000 -0.519 -0.974) 1.104 11.678 ( 0.000 -0.222 2.917) 2.926 11.693 ( 0.000 -1.687 1.847) 2.501 11.989 ( 0.000 2.141 4.020) 4.555 12.100 ( -0.000 3.090 -5.927) 6.684 12.106 ( 0.000 -0.253 5.672) 5.677 12.199 ( 0.000 0.432 -2.900) 2.932 12.751 ( 0.000 6.145 2.450) 6.615 12.829 ( 0.000 7.448 1.896) 7.685 12.845 ( -0.000 5.102 -6.090) 7.945 12.903 ( 0.000 5.528 -4.951) 7.421 ======================= Grid point 154 (57/60) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( 0.000 -9.588 6.453) 11.557 1.530 ( 0.000 9.588 6.453) 11.557 1.642 ( 0.000 -6.134 -2.371) 6.576 1.642 ( 0.000 6.134 -2.371) 6.576 2.136 ( 0.000 -4.947 0.204) 4.951 2.136 ( 0.000 4.947 0.204) 4.951 2.304 ( 0.000 -1.792 -0.621) 1.897 2.304 ( 0.000 1.792 -0.621) 1.897 2.447 ( 0.000 -3.102 -0.718) 3.184 2.447 ( 0.000 3.102 -0.718) 3.184 2.557 ( 0.000 -0.017 -3.547) 3.547 2.557 ( 0.000 0.017 -3.547) 3.547 2.867 ( 0.000 -1.642 -4.326) 4.627 2.867 ( 0.000 1.642 -4.326) 4.627 3.366 ( 0.000 -2.299 7.681) 8.018 3.366 ( 0.000 2.299 7.681) 8.018 3.659 ( 0.000 -2.067 2.792) 3.474 3.659 ( 0.000 2.067 2.792) 3.474 3.828 ( 0.000 -0.808 -1.718) 1.898 3.828 ( 0.000 0.808 -1.718) 1.898 4.016 ( 0.000 -2.367 -3.652) 4.352 4.016 ( 0.000 2.367 -3.652) 4.352 4.430 ( 0.000 -3.600 6.679) 7.587 4.430 ( 0.000 3.600 6.679) 7.587 4.820 ( 0.000 -2.377 0.697) 2.477 4.820 ( 0.000 2.377 0.697) 2.477 5.056 ( 0.000 -4.331 -2.174) 4.846 5.056 ( 0.000 4.331 -2.174) 4.846 5.223 ( 0.000 -0.698 -2.271) 2.376 5.223 ( 0.000 0.698 -2.271) 2.376 5.468 ( 0.000 -0.060 -2.334) 2.335 5.468 ( 0.000 0.060 -2.334) 2.335 5.710 ( 0.000 -1.474 -3.822) 4.096 5.710 ( 0.000 1.474 -3.822) 4.096 6.066 ( 0.000 -1.604 0.527) 1.688 6.066 ( 0.000 1.604 0.527) 1.688 6.388 ( 0.000 -0.725 2.747) 2.841 6.388 ( 0.000 0.725 2.747) 2.841 6.836 ( 0.000 -1.764 2.835) 3.339 6.836 ( 0.000 1.764 2.835) 3.339 7.580 ( 0.000 -2.560 -1.131) 2.799 7.580 ( 0.000 2.560 -1.131) 2.799 7.994 ( 0.000 -0.998 -1.581) 1.869 7.994 ( 0.000 0.998 -1.581) 1.869 8.385 ( 0.000 -0.199 0.164) 0.258 8.385 ( 0.000 0.199 0.164) 0.258 8.666 ( 0.000 -0.266 -1.738) 1.759 8.666 ( 0.000 0.266 -1.738) 1.759 8.991 ( 0.000 -0.164 2.231) 2.237 8.991 ( 0.000 0.164 2.231) 2.237 9.331 ( 0.000 -0.006 4.275) 4.275 9.331 ( 0.000 0.006 4.275) 4.275 9.551 ( 0.000 -1.069 0.340) 1.122 9.551 ( 0.000 1.069 0.340) 1.122 9.667 ( 0.000 -0.170 5.328) 5.331 9.667 ( 0.000 0.170 5.328) 5.331 9.770 ( 0.000 -0.014 -4.298) 4.298 9.770 ( 0.000 0.014 -4.298) 4.298 9.828 ( 0.000 -0.823 0.127) 0.832 9.828 ( 0.000 0.823 0.127) 0.832 10.058 ( 0.000 -1.297 2.101) 2.469 10.058 ( 0.000 1.297 2.101) 2.469 10.285 ( 0.000 -1.828 -2.007) 2.715 10.285 ( 0.000 1.828 -2.007) 2.715 10.519 ( 0.000 -2.029 -1.220) 2.368 10.519 ( 0.000 2.029 -1.220) 2.368 10.787 ( 0.000 -0.632 -0.637) 0.897 10.787 ( 0.000 0.632 -0.637) 0.897 10.961 ( 0.000 -0.076 1.260) 1.262 10.961 ( 0.000 0.076 1.260) 1.262 11.128 ( 0.000 -1.979 -1.383) 2.415 11.128 ( 0.000 1.979 -1.383) 2.415 11.497 ( 0.000 -0.093 0.093) 0.131 11.497 ( 0.000 0.093 0.093) 0.131 11.728 ( 0.000 -2.233 3.428) 4.091 11.728 ( 0.000 2.233 3.428) 4.091 11.864 ( 0.000 -3.639 -1.624) 3.985 11.864 ( 0.000 3.639 -1.624) 3.985 12.121 ( 0.000 -0.042 0.605) 0.606 12.121 ( 0.000 0.042 0.605) 0.606 12.753 ( 0.000 -1.165 1.396) 1.818 12.753 ( 0.000 1.165 1.396) 1.818 13.060 ( 0.000 -4.856 -5.644) 7.445 13.060 ( 0.000 4.856 -5.644) 7.445 ======================= Grid point 156 (58/60) ======================= q-point: ( 0.17 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( 6.955 -0.000 6.551) 9.554 1.627 ( 4.863 0.000 2.416) 5.430 1.713 ( 4.345 0.000 2.100) 4.826 1.752 ( 10.764 0.000 -0.489) 10.775 2.179 ( 4.138 -0.000 -0.972) 4.251 2.188 ( 4.196 0.000 0.697) 4.253 2.279 ( 0.495 0.000 0.887) 1.016 2.355 ( 2.606 0.000 -4.030) 4.799 2.459 ( 1.085 0.000 -1.370) 1.748 2.462 ( 1.626 -0.000 0.930) 1.873 2.564 ( 0.849 0.000 -2.846) 2.970 2.602 ( 2.706 0.000 -4.438) 5.199 2.844 ( -1.902 0.000 -3.484) 3.970 2.867 ( -0.297 0.000 -4.919) 4.928 3.332 ( -1.338 0.000 8.421) 8.527 3.400 ( -0.482 0.000 3.698) 3.730 3.628 ( -0.051 0.000 5.883) 5.883 3.680 ( -0.454 0.000 2.377) 2.420 3.796 ( -1.969 0.000 -0.582) 2.053 3.806 ( 0.862 0.000 -2.786) 2.917 4.032 ( 3.668 0.000 -2.669) 4.536 4.056 ( 0.237 0.000 -2.551) 2.562 4.401 ( -2.361 0.000 7.655) 8.011 4.431 ( -0.959 0.000 7.135) 7.199 4.771 ( -1.839 0.000 1.548) 2.403 4.855 ( -1.340 0.000 -3.902) 4.126 4.959 ( -6.251 0.000 -2.006) 6.564 5.030 ( -1.907 0.000 -5.419) 5.745 5.180 ( 0.335 0.000 -2.097) 2.124 5.255 ( 0.449 0.000 -8.874) 8.885 5.499 ( 5.378 -0.000 4.045) 6.729 5.608 ( 8.227 0.000 -3.326) 8.874 5.704 ( 2.708 0.000 2.096) 3.424 5.815 ( 5.334 0.000 -6.111) 8.112 6.038 ( -1.740 0.000 0.955) 1.985 6.043 ( -1.861 -0.000 0.290) 1.884 6.343 ( -3.427 0.000 4.192) 5.414 6.376 ( -1.893 0.000 1.347) 2.323 6.773 ( -5.542 -0.000 3.563) 6.589 6.780 ( -5.518 0.000 2.906) 6.237 7.609 ( 2.809 -0.000 -0.744) 2.905 7.613 ( 3.065 0.000 -1.086) 3.252 7.967 ( -2.295 0.000 -1.923) 2.994 7.968 ( -2.183 0.000 -2.038) 2.987 8.401 ( 1.292 -0.000 0.656) 1.449 8.401 ( 1.699 0.000 0.468) 1.762 8.660 ( -0.745 0.000 -1.546) 1.716 8.664 ( -0.341 0.000 -2.072) 2.100 8.940 ( -3.805 0.000 2.607) 4.613 8.961 ( -3.417 0.000 0.846) 3.520 9.279 ( -3.632 0.000 3.942) 5.361 9.314 ( -2.605 0.000 0.869) 2.746 9.541 ( -0.505 0.000 1.678) 1.752 9.556 ( 0.723 -0.000 0.630) 0.959 9.642 ( -0.608 -0.000 4.081) 4.126 9.680 ( -0.956 0.000 3.312) 3.448 9.747 ( 1.633 0.000 1.405) 2.154 9.807 ( 1.676 0.000 -1.063) 1.985 9.884 ( 3.148 0.000 -0.857) 3.263 9.892 ( 4.707 0.000 -1.671) 4.994 10.032 ( 0.342 0.000 2.994) 3.014 10.104 ( 1.597 0.000 -1.633) 2.284 10.294 ( 2.817 0.000 1.917) 3.408 10.365 ( 4.623 0.000 -2.510) 5.260 10.435 ( -6.360 -0.000 0.419) 6.374 10.477 ( -3.588 0.000 -3.640) 5.111 10.769 ( -4.546 0.000 1.274) 4.722 10.779 ( 0.613 0.000 0.097) 0.621 10.863 ( -1.963 0.000 0.018) 1.963 10.915 ( -5.322 0.000 -3.804) 6.542 11.152 ( -1.320 0.000 0.424) 1.386 11.156 ( 0.522 -0.000 -0.134) 0.539 11.458 ( -1.641 0.000 -0.563) 1.735 11.458 ( -2.434 0.000 -0.376) 2.463 11.741 ( 0.538 -0.000 4.627) 4.658 11.775 ( 0.087 0.000 4.458) 4.459 11.850 ( 2.414 -0.000 -0.803) 2.543 11.909 ( 3.670 0.000 -3.088) 4.796 12.136 ( 1.380 0.000 1.186) 1.819 12.155 ( 2.267 0.000 -0.380) 2.299 12.760 ( 1.276 0.000 1.134) 1.707 12.769 ( 1.024 0.000 0.730) 1.258 13.027 ( -2.216 -0.000 -4.393) 4.920 13.048 ( -1.866 0.000 -5.725) 6.022 ======================= Grid point 158 (59/60) ======================= q-point: ( 0.33 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( 5.034 -0.000 5.794) 7.675 1.758 ( 7.293 -0.000 1.937) 7.546 1.803 ( 5.671 0.000 7.659) 9.530 1.929 ( 3.583 0.000 -0.246) 3.592 2.214 ( -1.225 0.000 2.558) 2.836 2.311 ( 7.342 0.000 -5.620) 9.246 2.372 ( 5.553 0.000 -1.587) 5.776 2.411 ( 2.757 0.000 -3.352) 4.340 2.496 ( 1.040 0.000 1.844) 2.117 2.516 ( 4.633 -0.000 0.051) 4.633 2.580 ( 0.151 0.000 -2.235) 2.241 2.632 ( -0.175 0.000 -5.045) 5.048 2.816 ( 1.560 0.000 -2.044) 2.571 2.873 ( 2.170 0.000 -6.424) 6.780 3.237 ( -9.312 0.000 3.101) 9.815 3.274 ( -10.492 0.000 -0.380) 10.499 3.641 ( -0.880 0.000 8.106) 8.153 3.724 ( 7.101 0.000 4.574) 8.447 3.876 ( 8.672 0.000 3.038) 9.189 3.887 ( 6.703 0.000 0.015) 6.703 4.023 ( -2.346 0.000 2.979) 3.791 4.117 ( 3.243 0.000 -4.777) 5.774 4.314 ( -6.418 0.000 8.740) 10.844 4.370 ( -5.009 0.000 6.710) 8.373 4.739 ( -0.987 0.000 -5.620) 5.706 4.767 ( -4.540 0.000 -6.560) 7.978 4.854 ( -3.613 0.000 -1.906) 4.085 5.002 ( -0.931 0.000 -11.190) 11.229 5.231 ( 2.635 0.000 -3.495) 4.377 5.273 ( 1.536 0.000 -7.423) 7.581 5.653 ( 8.568 0.000 6.704) 10.879 5.741 ( 1.511 0.000 4.229) 4.491 5.804 ( 8.146 -0.000 -3.291) 8.786 5.873 ( -0.425 0.000 -4.329) 4.350 6.028 ( 0.792 0.000 1.601) 1.786 6.044 ( 2.374 0.000 0.317) 2.395 6.252 ( -4.641 0.000 5.734) 7.377 6.321 ( -2.565 0.000 -0.360) 2.590 6.623 ( -8.453 -0.000 4.100) 9.395 6.623 ( -7.766 0.000 4.071) 8.769 7.691 ( 4.677 -0.000 0.344) 4.689 7.700 ( 4.802 0.000 -0.264) 4.810 7.909 ( -3.131 0.000 -2.729) 4.153 7.914 ( -2.844 0.000 -3.460) 4.479 8.433 ( 1.649 -0.000 2.443) 2.948 8.454 ( 3.315 0.000 0.483) 3.350 8.625 ( -2.796 0.000 -0.334) 2.816 8.652 ( -0.674 0.000 -2.880) 2.958 8.851 ( -3.883 0.000 0.296) 3.895 8.863 ( -5.143 -0.000 -0.445) 5.163 9.201 ( -3.189 0.000 2.280) 3.920 9.241 ( -3.497 0.000 -1.499) 3.805 9.537 ( -0.064 0.000 4.467) 4.467 9.578 ( 1.083 0.000 0.449) 1.173 9.638 ( -0.121 0.000 2.743) 2.746 9.663 ( -0.427 0.000 1.006) 1.093 9.794 ( 2.361 0.000 4.403) 4.996 9.840 ( 1.755 0.000 4.477) 4.808 9.933 ( 1.429 -0.000 -0.082) 1.432 10.003 ( 5.187 0.000 -1.381) 5.368 10.052 ( 0.658 0.000 0.231) 0.698 10.107 ( -1.167 0.000 -5.608) 5.729 10.267 ( -6.144 0.000 3.993) 7.327 10.355 ( -3.594 0.000 -3.597) 5.085 10.427 ( 6.866 -0.000 2.948) 7.472 10.517 ( 5.408 0.000 -3.883) 6.658 10.673 ( -2.360 0.000 4.353) 4.951 10.769 ( -6.955 0.000 -0.440) 6.969 10.833 ( 3.067 -0.000 -4.584) 5.516 10.843 ( -1.687 0.000 -2.943) 3.392 11.072 ( -4.629 0.000 1.367) 4.827 11.097 ( -5.150 0.000 -1.177) 5.283 11.449 ( 1.286 0.000 -0.265) 1.313 11.452 ( 0.659 -0.000 -0.718) 0.975 11.713 ( -2.640 0.000 2.756) 3.817 11.719 ( -3.481 -0.000 2.619) 4.356 11.951 ( 4.926 0.000 3.352) 5.959 12.017 ( 5.602 0.000 -0.759) 5.653 12.154 ( -0.093 0.000 0.408) 0.418 12.194 ( 1.084 0.000 -1.863) 2.155 12.794 ( 1.292 0.000 0.873) 1.559 12.811 ( 3.525 0.000 -0.433) 3.552 12.980 ( -1.995 -0.000 -3.652) 4.161 12.987 ( -3.725 0.000 -4.312) 5.698 ======================= Grid point 160 (60/60) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( 0.000 0.000 12.033) 12.033 1.897 ( 0.000 -0.000 1.899) 1.899 1.899 ( 0.000 0.000 2.616) 2.616 1.902 ( -0.000 0.000 -0.426) 0.426 2.189 ( 0.000 0.000 3.703) 3.703 2.399 ( 0.000 0.000 -13.335) 13.335 2.432 ( 0.000 -0.000 -0.731) 0.731 2.447 ( 0.000 0.000 3.352) 3.352 2.518 ( 0.000 0.000 -0.770) 0.770 2.554 ( 0.000 0.000 -0.820) 0.820 2.593 ( -0.000 0.000 -2.610) 2.610 2.608 ( 0.000 0.000 -3.386) 3.386 2.981 ( -0.000 -0.000 -3.361) 3.361 2.983 ( 0.000 0.000 3.788) 3.788 2.990 ( 0.000 0.000 -3.639) 3.639 3.057 ( -0.000 0.000 -4.569) 4.569 3.640 ( 0.000 0.000 10.001) 10.001 3.817 ( 0.000 0.000 -5.065) 5.065 3.942 ( 0.000 0.000 13.929) 13.929 4.054 ( 0.000 0.000 4.995) 4.995 4.111 ( 0.000 0.000 0.344) 0.344 4.112 ( 0.000 0.000 2.492) 2.492 4.143 ( -0.000 0.000 10.195) 10.195 4.285 ( 0.000 0.000 -3.521) 3.521 4.719 ( 0.000 0.000 -7.115) 7.115 4.730 ( 0.000 0.000 -9.626) 9.626 4.813 ( 0.000 0.000 -0.289) 0.289 4.991 ( 0.000 0.000 -13.373) 13.373 5.258 ( 0.000 0.000 -3.339) 3.339 5.296 ( 0.000 0.000 -6.082) 6.082 5.741 ( 0.000 0.000 3.812) 3.812 5.788 ( 0.000 0.000 -0.937) 0.937 5.844 ( -0.000 0.000 5.873) 5.873 5.951 ( 0.000 0.000 -4.526) 4.526 6.010 ( -0.000 0.000 3.581) 3.581 6.068 ( 0.000 0.000 -1.832) 1.832 6.201 ( 0.000 0.000 7.589) 7.589 6.304 ( 0.000 0.000 -2.006) 2.006 6.503 ( 0.000 0.000 5.562) 5.562 6.518 ( 0.000 0.000 4.035) 4.035 7.766 ( 0.000 0.000 2.944) 2.944 7.774 ( 0.000 0.000 2.756) 2.756 7.855 ( 0.000 0.000 -5.069) 5.069 7.866 ( 0.000 0.000 -6.678) 6.678 8.456 ( 0.000 0.000 4.067) 4.067 8.530 ( 0.000 0.000 -3.156) 3.156 8.552 ( 0.000 0.000 4.570) 4.570 8.642 ( 0.000 0.000 -3.909) 3.909 8.797 ( 0.000 0.000 -1.120) 1.120 8.807 ( 0.000 0.000 -1.997) 1.997 9.164 ( 0.000 0.000 1.733) 1.733 9.199 ( 0.000 0.000 -1.720) 1.720 9.536 ( 0.000 0.000 5.644) 5.644 9.594 ( 0.000 0.000 -0.154) 0.154 9.632 ( 0.000 0.000 2.300) 2.300 9.659 ( 0.000 0.000 0.096) 0.096 9.827 ( 0.000 0.000 5.300) 5.300 9.876 ( 0.000 0.000 11.117) 11.117 9.932 ( 0.000 0.000 -4.557) 4.557 10.046 ( 0.000 -0.000 -3.023) 3.023 10.062 ( 0.000 0.000 0.930) 0.930 10.134 ( -0.000 0.000 -7.683) 7.683 10.163 ( 0.000 0.000 6.519) 6.519 10.311 ( 0.000 0.000 -6.674) 6.674 10.568 ( 0.000 0.000 3.365) 3.365 10.588 ( 0.000 0.000 4.801) 4.801 10.603 ( 0.000 -0.000 -0.581) 0.581 10.693 ( 0.000 0.000 -4.536) 4.536 10.793 ( 0.000 0.000 1.669) 1.669 10.906 ( 0.000 -0.000 -7.751) 7.751 11.008 ( 0.000 -0.000 1.168) 1.168 11.017 ( 0.000 0.000 -0.103) 0.103 11.464 ( 0.000 0.000 -0.023) 0.023 11.473 ( 0.000 0.000 -0.733) 0.733 11.674 ( 0.000 0.000 1.953) 1.953 11.674 ( 0.000 -0.000 1.988) 1.988 12.010 ( 0.000 0.000 5.173) 5.173 12.103 ( -0.000 0.000 6.078) 6.078 12.131 ( 0.000 0.000 -5.785) 5.785 12.203 ( 0.000 0.000 -3.201) 3.201 12.812 ( 0.000 0.000 1.702) 1.702 12.895 ( 0.000 0.000 -5.684) 5.684 12.902 ( -0.000 0.000 0.932) 0.932 12.956 ( 0.000 0.000 -3.985) 3.985 =================== 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 3/20160 10.0 252.061 371.284 294.537 0.000 0.000 0.000 3/20160 20.0 52.151 98.313 65.844 0.000 0.000 0.000 3/20160 30.0 22.049 42.728 30.309 0.000 0.000 0.000 3/20160 40.0 12.255 23.476 17.734 0.000 0.000 0.000 3/20160 50.0 7.886 14.953 11.831 0.000 0.000 0.000 3/20160 60.0 5.592 10.532 8.617 0.000 0.000 0.000 3/20160 70.0 4.242 7.946 6.666 0.000 0.000 0.000 3/20160 80.0 3.377 6.294 5.384 0.000 0.000 0.000 3/20160 90.0 2.787 5.166 4.489 0.000 0.000 0.000 3/20160 100.0 2.364 4.358 3.836 0.000 0.000 0.000 3/20160 110.0 2.048 3.757 3.343 0.000 0.000 0.000 3/20160 120.0 1.805 3.296 2.959 0.000 0.000 0.000 3/20160 130.0 1.614 2.933 2.653 0.000 0.000 0.000 3/20160 140.0 1.459 2.641 2.405 0.000 0.000 0.000 3/20160 150.0 1.332 2.402 2.199 0.000 0.000 0.000 3/20160 160.0 1.225 2.203 2.027 0.000 0.000 0.000 3/20160 170.0 1.135 2.036 1.880 0.000 0.000 0.000 3/20160 180.0 1.058 1.892 1.753 0.000 0.000 0.000 3/20160 190.0 0.990 1.768 1.643 0.000 0.000 0.000 3/20160 200.0 0.931 1.660 1.547 0.000 0.000 0.000 3/20160 210.0 0.879 1.564 1.461 0.000 0.000 0.000 3/20160 220.0 0.833 1.480 1.385 0.000 0.000 0.000 3/20160 230.0 0.792 1.404 1.316 0.000 0.000 0.000 3/20160 240.0 0.754 1.336 1.255 0.000 0.000 0.000 3/20160 250.0 0.720 1.275 1.199 0.000 0.000 0.000 3/20160 260.0 0.690 1.219 1.147 0.000 0.000 0.000 3/20160 270.0 0.661 1.168 1.101 0.000 0.000 0.000 3/20160 280.0 0.635 1.122 1.058 0.000 0.000 0.000 3/20160 290.0 0.612 1.079 1.018 0.000 0.000 0.000 3/20160 300.0 0.589 1.039 0.981 0.000 0.000 0.000 3/20160 310.0 0.569 1.002 0.947 0.000 0.000 0.000 3/20160 320.0 0.550 0.968 0.916 0.000 0.000 0.000 3/20160 330.0 0.532 0.936 0.886 0.000 0.000 0.000 3/20160 340.0 0.515 0.907 0.858 0.000 0.000 0.000 3/20160 350.0 0.500 0.879 0.833 0.000 0.000 0.000 3/20160 360.0 0.485 0.853 0.808 0.000 0.000 0.000 3/20160 370.0 0.471 0.828 0.785 0.000 0.000 0.000 3/20160 380.0 0.458 0.805 0.763 0.000 0.000 0.000 3/20160 390.0 0.446 0.783 0.743 0.000 0.000 0.000 3/20160 400.0 0.434 0.763 0.724 0.000 0.000 0.000 3/20160 410.0 0.423 0.743 0.705 0.000 0.000 0.000 3/20160 420.0 0.413 0.724 0.688 0.000 0.000 0.000 3/20160 430.0 0.403 0.707 0.671 0.000 0.000 0.000 3/20160 440.0 0.393 0.690 0.655 0.000 0.000 0.000 3/20160 450.0 0.384 0.674 0.640 0.000 0.000 0.000 3/20160 460.0 0.376 0.659 0.626 0.000 0.000 0.000 3/20160 470.0 0.367 0.644 0.612 0.000 0.000 0.000 3/20160 480.0 0.359 0.630 0.599 0.000 0.000 0.000 3/20160 490.0 0.352 0.617 0.587 0.000 0.000 0.000 3/20160 500.0 0.345 0.604 0.574 0.000 0.000 0.000 3/20160 510.0 0.338 0.592 0.563 0.000 0.000 0.000 3/20160 520.0 0.331 0.580 0.552 0.000 0.000 0.000 3/20160 530.0 0.325 0.569 0.541 0.000 0.000 0.000 3/20160 540.0 0.319 0.558 0.531 0.000 0.000 0.000 3/20160 550.0 0.313 0.548 0.521 0.000 0.000 0.000 3/20160 560.0 0.307 0.538 0.512 0.000 0.000 0.000 3/20160 570.0 0.301 0.528 0.502 0.000 0.000 0.000 3/20160 580.0 0.296 0.519 0.494 0.000 0.000 0.000 3/20160 590.0 0.291 0.510 0.485 0.000 0.000 0.000 3/20160 600.0 0.286 0.501 0.477 0.000 0.000 0.000 3/20160 610.0 0.281 0.493 0.469 0.000 0.000 0.000 3/20160 620.0 0.277 0.485 0.461 0.000 0.000 0.000 3/20160 630.0 0.272 0.477 0.454 0.000 0.000 0.000 3/20160 640.0 0.268 0.469 0.447 0.000 0.000 0.000 3/20160 650.0 0.264 0.462 0.440 0.000 0.000 0.000 3/20160 660.0 0.260 0.455 0.433 0.000 0.000 0.000 3/20160 670.0 0.256 0.448 0.426 0.000 0.000 0.000 3/20160 680.0 0.252 0.441 0.420 0.000 0.000 0.000 3/20160 690.0 0.248 0.435 0.414 0.000 0.000 0.000 3/20160 700.0 0.245 0.428 0.408 0.000 0.000 0.000 3/20160 710.0 0.241 0.422 0.402 0.000 0.000 0.000 3/20160 720.0 0.238 0.416 0.396 0.000 0.000 0.000 3/20160 730.0 0.234 0.410 0.391 0.000 0.000 0.000 3/20160 740.0 0.231 0.405 0.386 0.000 0.000 0.000 3/20160 750.0 0.228 0.399 0.380 0.000 0.000 0.000 3/20160 760.0 0.225 0.394 0.375 0.000 0.000 0.000 3/20160 770.0 0.222 0.389 0.370 0.000 0.000 0.000 3/20160 780.0 0.219 0.384 0.366 0.000 0.000 0.000 3/20160 790.0 0.216 0.379 0.361 0.000 0.000 0.000 3/20160 800.0 0.214 0.374 0.356 0.000 0.000 0.000 3/20160 810.0 0.211 0.369 0.352 0.000 0.000 0.000 3/20160 820.0 0.208 0.365 0.348 0.000 0.000 0.000 3/20160 830.0 0.206 0.360 0.343 0.000 0.000 0.000 3/20160 840.0 0.203 0.356 0.339 0.000 0.000 0.000 3/20160 850.0 0.201 0.352 0.335 0.000 0.000 0.000 3/20160 860.0 0.199 0.348 0.331 0.000 0.000 0.000 3/20160 870.0 0.196 0.344 0.327 0.000 0.000 0.000 3/20160 880.0 0.194 0.340 0.324 0.000 0.000 0.000 3/20160 890.0 0.192 0.336 0.320 0.000 0.000 0.000 3/20160 900.0 0.190 0.332 0.316 0.000 0.000 0.000 3/20160 910.0 0.188 0.329 0.313 0.000 0.000 0.000 3/20160 920.0 0.186 0.325 0.310 0.000 0.000 0.000 3/20160 930.0 0.184 0.321 0.306 0.000 0.000 0.000 3/20160 940.0 0.182 0.318 0.303 0.000 0.000 0.000 3/20160 950.0 0.180 0.315 0.300 0.000 0.000 0.000 3/20160 960.0 0.178 0.311 0.297 0.000 0.000 0.000 3/20160 970.0 0.176 0.308 0.293 0.000 0.000 0.000 3/20160 980.0 0.174 0.305 0.290 0.000 0.000 0.000 3/20160 990.0 0.172 0.302 0.288 0.000 0.000 0.000 3/20160 1000.0 0.171 0.299 0.285 0.000 0.000 0.000 3/20160 Thermal conductivity related properties were written into "kappa-m685.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:23:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|