----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 00:07:34]------------------------- 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 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.989243510000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.779166040000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.886557310000001 Atomic positions (fractional): *1 Na 0.55957113658214 0.25000000000000 0.04235585668405 22.990 *2 Na 0.57364466000364 0.75000000000000 0.20329653050865 22.990 *3 Na 0.58337165172187 0.75000000000000 0.72797846875143 22.990 *4 Na 0.74781826031619 0.00474055474773 0.36014045947126 22.990 5 Na 0.74781826031619 0.49525944525227 0.36014045947126 22.990 6 Na 0.75218173968381 0.50474055474773 0.86014045947126 22.990 7 Na 0.75218173968381 0.99525944525227 0.86014045947126 22.990 8 Na 0.91662834827813 0.25000000000000 0.22797846875143 22.990 9 Na 0.92635533999636 0.25000000000000 0.70329653050865 22.990 10 Na 0.94042886341786 0.75000000000000 0.54235585668405 22.990 11 Na 0.05957113658214 0.25000000000000 0.45764414331595 22.990 12 Na 0.07364466000364 0.75000000000000 0.29670346949135 22.990 13 Na 0.08337165172187 0.75000000000000 0.77202153124857 22.990 14 Na 0.24781826031619 0.00474055474773 0.13985954052874 22.990 15 Na 0.24781826031619 0.49525944525227 0.13985954052874 22.990 16 Na 0.25218173968381 0.50474055474773 0.63985954052874 22.990 17 Na 0.25218173968381 0.99525944525227 0.63985954052874 22.990 18 Na 0.41662834827813 0.25000000000000 0.27202153124857 22.990 19 Na 0.42635533999636 0.25000000000000 0.79670346949135 22.990 20 Na 0.44042886341786 0.75000000000000 0.95764414331595 22.990 *21 Cu 0.50675725255561 0.25000000000000 0.52441554874036 63.546 22 Cu 0.99324274744439 0.75000000000000 0.02441554874036 63.546 23 Cu 0.00675725255561 0.25000000000000 0.97558445125964 63.546 24 Cu 0.49324274744439 0.75000000000000 0.47558445125964 63.546 *25 H 0.74830846602504 0.00129669713618 0.11936237274531 1.008 26 H 0.74830846602504 0.49870330286382 0.11936237274531 1.008 27 H 0.75169153397496 0.50129669713618 0.61936237274531 1.008 28 H 0.75169153397496 0.99870330286382 0.61936237274531 1.008 29 H 0.24830846602504 0.00129669713618 0.38063762725469 1.008 30 H 0.24830846602504 0.49870330286382 0.38063762725469 1.008 31 H 0.25169153397496 0.50129669713618 0.88063762725469 1.008 32 H 0.25169153397496 0.99870330286382 0.88063762725469 1.008 *33 O 0.63839983768792 0.04505639471943 0.17136856440419 15.999 34 O 0.63839983768792 0.45494360528057 0.17136856440419 15.999 *35 O 0.69862935343620 0.25000000000000 0.41042042176462 15.999 *36 O 0.72557464853414 0.75000000000000 0.37873942248243 15.999 37 O 0.77442535146586 0.25000000000000 0.87873942248243 15.999 38 O 0.80137064656380 0.75000000000000 0.91042042176462 15.999 39 O 0.86160016231208 0.54505639471943 0.67136856440419 15.999 40 O 0.86160016231208 0.95494360528057 0.67136856440419 15.999 41 O 0.13839983768792 0.45494360528057 0.32863143559581 15.999 42 O 0.13839983768792 0.04505639471943 0.32863143559581 15.999 43 O 0.19862935343620 0.25000000000000 0.08957957823538 15.999 44 O 0.22557464853414 0.75000000000000 0.12126057751757 15.999 45 O 0.27442535146586 0.25000000000000 0.62126057751757 15.999 46 O 0.30137064656380 0.75000000000000 0.58957957823538 15.999 47 O 0.36160016231208 0.54505639471943 0.82863143559581 15.999 48 O 0.36160016231208 0.95494360528057 0.82863143559581 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.989243510000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.779166040000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.886557310000001 Atomic positions (fractional): *1 Na 0.55957113658214 0.25000000000000 0.04235585668405 22.990 > 1 *2 Na 0.57364466000364 0.75000000000000 0.20329653050865 22.990 > 2 *3 Na 0.58337165172187 0.75000000000000 0.72797846875143 22.990 > 3 *4 Na 0.74781826031619 0.00474055474773 0.36014045947126 22.990 > 4 5 Na 0.74781826031619 0.49525944525227 0.36014045947126 22.990 > 5 6 Na 0.75218173968381 0.50474055474773 0.86014045947126 22.990 > 6 7 Na 0.75218173968381 0.99525944525227 0.86014045947126 22.990 > 7 8 Na 0.91662834827813 0.25000000000000 0.22797846875143 22.990 > 8 9 Na 0.92635533999636 0.25000000000000 0.70329653050865 22.990 > 9 10 Na 0.94042886341786 0.75000000000000 0.54235585668405 22.990 > 10 11 Na 0.05957113658214 0.25000000000000 0.45764414331595 22.990 > 11 12 Na 0.07364466000364 0.75000000000000 0.29670346949135 22.990 > 12 13 Na 0.08337165172187 0.75000000000000 0.77202153124857 22.990 > 13 14 Na 0.24781826031619 0.00474055474773 0.13985954052874 22.990 > 14 15 Na 0.24781826031619 0.49525944525227 0.13985954052874 22.990 > 15 16 Na 0.25218173968381 0.50474055474773 0.63985954052874 22.990 > 16 17 Na 0.25218173968381 0.99525944525227 0.63985954052874 22.990 > 17 18 Na 0.41662834827813 0.25000000000000 0.27202153124857 22.990 > 18 19 Na 0.42635533999636 0.25000000000000 0.79670346949135 22.990 > 19 20 Na 0.44042886341786 0.75000000000000 0.95764414331595 22.990 > 20 *21 Cu 0.50675725255561 0.25000000000000 0.52441554874036 63.546 > 21 22 Cu 0.99324274744439 0.75000000000000 0.02441554874036 63.546 > 22 23 Cu 0.00675725255561 0.25000000000000 0.97558445125964 63.546 > 23 24 Cu 0.49324274744439 0.75000000000000 0.47558445125964 63.546 > 24 *25 H 0.74830846602504 0.00129669713618 0.11936237274531 1.008 > 25 26 H 0.74830846602504 0.49870330286382 0.11936237274531 1.008 > 26 27 H 0.75169153397496 0.50129669713618 0.61936237274531 1.008 > 27 28 H 0.75169153397496 0.99870330286382 0.61936237274531 1.008 > 28 29 H 0.24830846602504 0.00129669713618 0.38063762725469 1.008 > 29 30 H 0.24830846602504 0.49870330286382 0.38063762725469 1.008 > 30 31 H 0.25169153397496 0.50129669713618 0.88063762725469 1.008 > 31 32 H 0.25169153397496 0.99870330286382 0.88063762725469 1.008 > 32 *33 O 0.63839983768792 0.04505639471943 0.17136856440419 15.999 > 33 34 O 0.63839983768792 0.45494360528057 0.17136856440419 15.999 > 34 *35 O 0.69862935343620 0.25000000000000 0.41042042176462 15.999 > 35 *36 O 0.72557464853414 0.75000000000000 0.37873942248243 15.999 > 36 37 O 0.77442535146586 0.25000000000000 0.87873942248243 15.999 > 37 38 O 0.80137064656380 0.75000000000000 0.91042042176462 15.999 > 38 39 O 0.86160016231208 0.54505639471943 0.67136856440419 15.999 > 39 40 O 0.86160016231208 0.95494360528057 0.67136856440419 15.999 > 40 41 O 0.13839983768792 0.45494360528057 0.32863143559581 15.999 > 41 42 O 0.13839983768792 0.04505639471943 0.32863143559581 15.999 > 42 43 O 0.19862935343620 0.25000000000000 0.08957957823538 15.999 > 43 44 O 0.22557464853414 0.75000000000000 0.12126057751757 15.999 > 44 45 O 0.27442535146586 0.25000000000000 0.62126057751757 15.999 > 45 46 O 0.30137064656380 0.75000000000000 0.58957957823538 15.999 > 46 47 O 0.36160016231208 0.54505639471943 0.82863143559581 15.999 > 47 48 O 0.36160016231208 0.95494360528057 0.82863143559581 15.999 > 48 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.978487019999999 0.000000000000000 0.000000000000000 b 0.000000000000000 8.779166040000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.886557310000001 Atomic positions (fractional): *1 Na 0.27978556829107 0.25000000000000 0.04235585668405 22.990 > 1 2 Na 0.77978556829107 0.25000000000000 0.04235585668405 22.990 > 1 *3 Na 0.28682233000182 0.75000000000000 0.20329653050865 22.990 > 2 4 Na 0.78682233000182 0.75000000000000 0.20329653050865 22.990 > 2 *5 Na 0.29168582586094 0.75000000000000 0.72797846875143 22.990 > 3 6 Na 0.79168582586094 0.75000000000000 0.72797846875143 22.990 > 3 *7 Na 0.37390913015810 0.00474055474773 0.36014045947126 22.990 > 4 8 Na 0.87390913015810 0.00474055474773 0.36014045947126 22.990 > 4 9 Na 0.37390913015810 0.49525944525227 0.36014045947126 22.990 > 5 10 Na 0.87390913015810 0.49525944525227 0.36014045947126 22.990 > 5 11 Na 0.37609086984190 0.50474055474773 0.86014045947126 22.990 > 6 12 Na 0.87609086984190 0.50474055474773 0.86014045947126 22.990 > 6 13 Na 0.37609086984190 0.99525944525227 0.86014045947126 22.990 > 7 14 Na 0.87609086984190 0.99525944525227 0.86014045947126 22.990 > 7 15 Na 0.45831417413906 0.25000000000000 0.22797846875143 22.990 > 8 16 Na 0.95831417413906 0.25000000000000 0.22797846875143 22.990 > 8 17 Na 0.46317766999818 0.25000000000000 0.70329653050865 22.990 > 9 18 Na 0.96317766999818 0.25000000000000 0.70329653050865 22.990 > 9 19 Na 0.47021443170893 0.75000000000000 0.54235585668405 22.990 > 10 20 Na 0.97021443170893 0.75000000000000 0.54235585668405 22.990 > 10 21 Na 0.02978556829107 0.25000000000000 0.45764414331595 22.990 > 11 22 Na 0.52978556829107 0.25000000000000 0.45764414331595 22.990 > 11 23 Na 0.03682233000182 0.75000000000000 0.29670346949135 22.990 > 12 24 Na 0.53682233000182 0.75000000000000 0.29670346949135 22.990 > 12 25 Na 0.04168582586094 0.75000000000000 0.77202153124857 22.990 > 13 26 Na 0.54168582586094 0.75000000000000 0.77202153124857 22.990 > 13 27 Na 0.12390913015810 0.00474055474773 0.13985954052874 22.990 > 14 28 Na 0.62390913015810 0.00474055474773 0.13985954052874 22.990 > 14 29 Na 0.12390913015810 0.49525944525227 0.13985954052874 22.990 > 15 30 Na 0.62390913015810 0.49525944525227 0.13985954052874 22.990 > 15 31 Na 0.12609086984190 0.50474055474773 0.63985954052874 22.990 > 16 32 Na 0.62609086984190 0.50474055474773 0.63985954052874 22.990 > 16 33 Na 0.12609086984190 0.99525944525227 0.63985954052874 22.990 > 17 34 Na 0.62609086984190 0.99525944525227 0.63985954052874 22.990 > 17 35 Na 0.20831417413906 0.25000000000000 0.27202153124857 22.990 > 18 36 Na 0.70831417413906 0.25000000000000 0.27202153124857 22.990 > 18 37 Na 0.21317766999818 0.25000000000000 0.79670346949135 22.990 > 19 38 Na 0.71317766999818 0.25000000000000 0.79670346949135 22.990 > 19 39 Na 0.22021443170893 0.75000000000000 0.95764414331595 22.990 > 20 40 Na 0.72021443170893 0.75000000000000 0.95764414331595 22.990 > 20 *41 Cu 0.25337862627780 0.25000000000000 0.52441554874036 63.546 > 21 42 Cu 0.75337862627780 0.25000000000000 0.52441554874036 63.546 > 21 43 Cu 0.49662137372220 0.75000000000000 0.02441554874036 63.546 > 22 44 Cu 0.99662137372220 0.75000000000000 0.02441554874036 63.546 > 22 45 Cu 0.00337862627780 0.25000000000000 0.97558445125964 63.546 > 23 46 Cu 0.50337862627780 0.25000000000000 0.97558445125964 63.546 > 23 47 Cu 0.24662137372220 0.75000000000000 0.47558445125964 63.546 > 24 48 Cu 0.74662137372220 0.75000000000000 0.47558445125964 63.546 > 24 *49 H 0.37415423301252 0.00129669713618 0.11936237274531 1.008 > 25 50 H 0.87415423301252 0.00129669713618 0.11936237274531 1.008 > 25 51 H 0.37415423301252 0.49870330286382 0.11936237274531 1.008 > 26 52 H 0.87415423301252 0.49870330286382 0.11936237274531 1.008 > 26 53 H 0.37584576698748 0.50129669713618 0.61936237274531 1.008 > 27 54 H 0.87584576698748 0.50129669713618 0.61936237274531 1.008 > 27 55 H 0.37584576698748 0.99870330286382 0.61936237274531 1.008 > 28 56 H 0.87584576698748 0.99870330286382 0.61936237274531 1.008 > 28 57 H 0.12415423301252 0.00129669713618 0.38063762725469 1.008 > 29 58 H 0.62415423301252 0.00129669713618 0.38063762725469 1.008 > 29 59 H 0.12415423301252 0.49870330286382 0.38063762725469 1.008 > 30 60 H 0.62415423301252 0.49870330286382 0.38063762725469 1.008 > 30 61 H 0.12584576698748 0.50129669713618 0.88063762725469 1.008 > 31 62 H 0.62584576698748 0.50129669713618 0.88063762725469 1.008 > 31 63 H 0.12584576698748 0.99870330286382 0.88063762725469 1.008 > 32 64 H 0.62584576698748 0.99870330286382 0.88063762725469 1.008 > 32 *65 O 0.31919991884396 0.04505639471943 0.17136856440419 15.999 > 33 66 O 0.81919991884396 0.04505639471943 0.17136856440419 15.999 > 33 67 O 0.31919991884396 0.45494360528057 0.17136856440419 15.999 > 34 68 O 0.81919991884396 0.45494360528057 0.17136856440419 15.999 > 34 *69 O 0.34931467671810 0.25000000000000 0.41042042176462 15.999 > 35 70 O 0.84931467671810 0.25000000000000 0.41042042176462 15.999 > 35 *71 O 0.36278732426707 0.75000000000000 0.37873942248243 15.999 > 36 72 O 0.86278732426707 0.75000000000000 0.37873942248243 15.999 > 36 73 O 0.38721267573293 0.25000000000000 0.87873942248243 15.999 > 37 74 O 0.88721267573293 0.25000000000000 0.87873942248243 15.999 > 37 75 O 0.40068532328190 0.75000000000000 0.91042042176462 15.999 > 38 76 O 0.90068532328190 0.75000000000000 0.91042042176462 15.999 > 38 77 O 0.43080008115604 0.54505639471943 0.67136856440419 15.999 > 39 78 O 0.93080008115604 0.54505639471943 0.67136856440419 15.999 > 39 79 O 0.43080008115604 0.95494360528057 0.67136856440419 15.999 > 40 80 O 0.93080008115604 0.95494360528057 0.67136856440419 15.999 > 40 81 O 0.06919991884396 0.45494360528057 0.32863143559581 15.999 > 41 82 O 0.56919991884396 0.45494360528057 0.32863143559581 15.999 > 41 83 O 0.06919991884396 0.04505639471943 0.32863143559581 15.999 > 42 84 O 0.56919991884396 0.04505639471943 0.32863143559581 15.999 > 42 85 O 0.09931467671810 0.25000000000000 0.08957957823538 15.999 > 43 86 O 0.59931467671810 0.25000000000000 0.08957957823538 15.999 > 43 87 O 0.11278732426707 0.75000000000000 0.12126057751757 15.999 > 44 88 O 0.61278732426707 0.75000000000000 0.12126057751757 15.999 > 44 89 O 0.13721267573293 0.25000000000000 0.62126057751757 15.999 > 45 90 O 0.63721267573293 0.25000000000000 0.62126057751757 15.999 > 45 91 O 0.15068532328190 0.75000000000000 0.58957957823538 15.999 > 46 92 O 0.65068532328190 0.75000000000000 0.58957957823538 15.999 > 46 93 O 0.18080008115604 0.54505639471943 0.82863143559581 15.999 > 47 94 O 0.68080008115604 0.54505639471943 0.82863143559581 15.999 > 47 95 O 0.18080008115604 0.95494360528057 0.82863143559581 15.999 > 48 96 O 0.68080008115604 0.95494360528057 0.82863143559581 15.999 > 48 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9731068 0.0000000 0.0000000 0.0000000 3.1077012 0.0000000 0.0000000 0.0000000 2.9648076 -------------------------- Born effective charges -------------------------- 1 Na 1.1938381 0.0000000 -0.0698833 0.0000000 0.8837422 0.0000000 -0.0195827 0.0000000 0.8239780 2 Na 1.0734553 0.0000000 -0.0363329 0.0000000 0.9695742 0.0000000 -0.0148242 0.0000000 1.1250350 3 Na 1.0059117 0.0000000 0.0623919 0.0000000 1.0314515 0.0000000 0.0665130 0.0000000 1.3005621 4 Na 0.9586124 0.0337558 -0.0837508 0.0277800 1.0207970 0.0091368 -0.0272268 0.0397352 0.9750713 5 Na 0.9586124 -0.0337558 -0.0837508 -0.0277800 1.0207970 -0.0091368 -0.0272268 -0.0397352 0.9750713 6 Na 0.9586124 -0.0337558 0.0837508 -0.0277800 1.0207970 0.0091368 0.0272268 0.0397352 0.9750713 7 Na 0.9586124 0.0337558 0.0837508 0.0277800 1.0207970 -0.0091368 0.0272268 -0.0397352 0.9750713 8 Na 1.0059117 0.0000000 -0.0623919 0.0000000 1.0314515 0.0000000 -0.0665130 0.0000000 1.3005621 9 Na 1.0734553 0.0000000 0.0363329 0.0000000 0.9695742 0.0000000 0.0148242 0.0000000 1.1250350 10 Na 1.1938381 0.0000000 0.0698833 0.0000000 0.8837422 0.0000000 0.0195827 0.0000000 0.8239780 11 Na 1.1938381 0.0000000 0.0698833 0.0000000 0.8837422 0.0000000 0.0195827 0.0000000 0.8239780 12 Na 1.0734553 0.0000000 0.0363329 0.0000000 0.9695742 0.0000000 0.0148242 0.0000000 1.1250350 13 Na 1.0059117 0.0000000 -0.0623919 0.0000000 1.0314515 0.0000000 -0.0665130 0.0000000 1.3005621 14 Na 0.9586124 0.0337558 0.0837508 0.0277800 1.0207970 -0.0091368 0.0272268 -0.0397352 0.9750713 15 Na 0.9586124 -0.0337558 0.0837508 -0.0277800 1.0207970 0.0091368 0.0272268 0.0397352 0.9750713 16 Na 0.9586124 -0.0337558 -0.0837508 -0.0277800 1.0207970 -0.0091368 -0.0272268 -0.0397352 0.9750713 17 Na 0.9586124 0.0337558 -0.0837508 0.0277800 1.0207970 0.0091368 -0.0272268 0.0397352 0.9750713 18 Na 1.0059117 0.0000000 0.0623919 0.0000000 1.0314515 0.0000000 0.0665130 0.0000000 1.3005621 19 Na 1.0734553 0.0000000 -0.0363329 0.0000000 0.9695742 0.0000000 -0.0148242 0.0000000 1.1250350 20 Na 1.1938381 0.0000000 -0.0698833 0.0000000 0.8837422 0.0000000 -0.0195827 0.0000000 0.8239780 21 Cu 0.4104867 0.0000000 -1.1181085 0.0000000 -0.9198435 0.0000000 -1.1200459 0.0000000 0.3802913 22 Cu 0.4104867 0.0000000 1.1181085 0.0000000 -0.9198435 0.0000000 1.1200459 0.0000000 0.3802913 23 Cu 0.4104867 0.0000000 1.1181085 0.0000000 -0.9198435 0.0000000 1.1200459 0.0000000 0.3802913 24 Cu 0.4104867 0.0000000 -1.1181085 0.0000000 -0.9198435 0.0000000 -1.1200459 0.0000000 0.3802913 25 H 0.2317029 0.0323151 0.0493126 0.0038382 0.4914554 -0.0264127 0.0467170 -0.0381091 0.2184943 26 H 0.2317029 -0.0323151 0.0493126 -0.0038382 0.4914554 0.0264127 0.0467170 0.0381091 0.2184943 27 H 0.2317029 -0.0323151 -0.0493126 -0.0038382 0.4914554 -0.0264127 -0.0467170 -0.0381091 0.2184943 28 H 0.2317029 0.0323151 -0.0493126 0.0038382 0.4914554 0.0264127 -0.0467170 0.0381091 0.2184943 29 H 0.2317029 0.0323151 -0.0493126 0.0038382 0.4914554 0.0264127 -0.0467170 0.0381091 0.2184943 30 H 0.2317029 -0.0323151 -0.0493126 -0.0038382 0.4914554 -0.0264127 -0.0467170 -0.0381091 0.2184943 31 H 0.2317029 -0.0323151 0.0493126 -0.0038382 0.4914554 0.0264127 0.0467170 0.0381091 0.2184943 32 H 0.2317029 0.0323151 0.0493126 0.0038382 0.4914554 -0.0264127 0.0467170 -0.0381091 0.2184943 33 O -1.3624106 -0.0471708 0.0257496 -0.0222357 -1.5297330 0.0422750 -0.0112266 0.0415549 -1.3781271 34 O -1.3624106 0.0471708 0.0257496 0.0222357 -1.5297330 -0.0422750 -0.0112266 -0.0415549 -1.3781271 35 O -1.5089301 0.0000000 0.6083766 0.0000000 -0.9883187 0.0000000 0.6503073 0.0000000 -1.7748933 36 O -1.8305710 0.0000000 0.6389031 0.0000000 -0.9416442 0.0000000 0.6007886 0.0000000 -1.4858502 37 O -1.8305710 0.0000000 -0.6389031 0.0000000 -0.9416442 0.0000000 -0.6007886 0.0000000 -1.4858502 38 O -1.5089301 0.0000000 -0.6083766 0.0000000 -0.9883187 0.0000000 -0.6503073 0.0000000 -1.7748933 39 O -1.3624106 0.0471708 -0.0257496 0.0222357 -1.5297330 0.0422750 0.0112266 0.0415549 -1.3781271 40 O -1.3624106 -0.0471708 -0.0257496 -0.0222357 -1.5297330 -0.0422750 0.0112266 -0.0415549 -1.3781271 41 O -1.3624106 0.0471708 -0.0257496 0.0222357 -1.5297330 0.0422750 0.0112266 0.0415549 -1.3781271 42 O -1.3624106 -0.0471708 -0.0257496 -0.0222357 -1.5297330 -0.0422750 0.0112266 -0.0415549 -1.3781271 43 O -1.5089301 0.0000000 -0.6083766 0.0000000 -0.9883187 0.0000000 -0.6503073 0.0000000 -1.7748933 44 O -1.8305710 0.0000000 -0.6389031 0.0000000 -0.9416442 0.0000000 -0.6007886 0.0000000 -1.4858502 45 O -1.8305710 0.0000000 0.6389031 0.0000000 -0.9416442 0.0000000 0.6007886 0.0000000 -1.4858502 46 O -1.5089301 0.0000000 0.6083766 0.0000000 -0.9883187 0.0000000 0.6503073 0.0000000 -1.7748933 47 O -1.3624106 0.0471708 0.0257496 0.0222357 -1.5297330 -0.0422750 -0.0112266 -0.0415549 -1.3781271 48 O -1.3624106 -0.0471708 0.0257496 -0.0222357 -1.5297330 0.0422750 -0.0112266 0.0415549 -1.3781271 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 20880/20880 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2772 Number of blocks in projector: 2772 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: 720 Use submatrix version of eigh solver. (1) Block: 500 / 720 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 720 / 720 (1) 202 eigenvectors found. (1) Complementary block size: 36 (1) Compute compressed projector. (1) Use standard solver. (1) 18 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 396 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 396 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 396 Use standard eigh solver. Tree of FC basis block matrices: - (2772, 2715), data: False |-- (396, 387), data: True |-- (396, 387), data: True |-- (396, 387), data: True |-- (432, 426), data: True |-- (432, 426), data: True |-- (720, 702), data: False |-- (720, 18), data: (720, 36) @ (36, 18) |-- (220, 202), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 232), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 720 - Time: 0.632 Solver_block: 200 / 720 - Time: 0.536 Solver_block: 300 / 720 - Time: 0.539 Solver_block: 400 / 720 - Time: 0.532 Solver_block: 500 / 720 - Time: 0.538 Solver_block: 600 / 720 - Time: 0.536 Solver_block: 700 / 720 - Time: 0.540 Solver_block: 720 / 720 - Time: 0.214 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.177 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 20880/20880 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2772 Number of blocks in projector: 2772 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: 720 Use submatrix version of eigh solver. (1) Block: 500 / 720 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 720 / 720 (1) 202 eigenvectors found. (1) Complementary block size: 36 (1) Compute compressed projector. (1) Use standard solver. (1) 18 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 396 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 396 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 396 Use standard eigh solver. Tree of FC basis block matrices: - (2772, 2715), data: False |-- (396, 387), data: True |-- (396, 387), data: True |-- (396, 387), data: True |-- (432, 426), data: True |-- (432, 426), data: True |-- (720, 702), data: False |-- (720, 18), data: (720, 36) @ (36, 18) |-- (220, 202), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 232), data: True |-- (250, 234), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 00:08:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 00:08:05]------------------------- 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 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.989243510000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.779166040000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.886557310000001 Atomic positions (fractional): 1 Na 0.55957113658214 0.25000000000000 0.04235585668405 22.990 2 Na 0.57364466000364 0.75000000000000 0.20329653050865 22.990 3 Na 0.58337165172187 0.75000000000000 0.72797846875143 22.990 4 Na 0.74781826031619 0.00474055474773 0.36014045947126 22.990 5 Na 0.74781826031619 0.49525944525227 0.36014045947126 22.990 6 Na 0.75218173968381 0.50474055474773 0.86014045947126 22.990 7 Na 0.75218173968381 0.99525944525227 0.86014045947126 22.990 8 Na 0.91662834827813 0.25000000000000 0.22797846875143 22.990 9 Na 0.92635533999636 0.25000000000000 0.70329653050865 22.990 10 Na 0.94042886341786 0.75000000000000 0.54235585668405 22.990 11 Na 0.05957113658214 0.25000000000000 0.45764414331595 22.990 12 Na 0.07364466000364 0.75000000000000 0.29670346949135 22.990 13 Na 0.08337165172187 0.75000000000000 0.77202153124857 22.990 14 Na 0.24781826031619 0.00474055474773 0.13985954052874 22.990 15 Na 0.24781826031619 0.49525944525227 0.13985954052874 22.990 16 Na 0.25218173968381 0.50474055474773 0.63985954052874 22.990 17 Na 0.25218173968381 0.99525944525227 0.63985954052874 22.990 18 Na 0.41662834827813 0.25000000000000 0.27202153124857 22.990 19 Na 0.42635533999636 0.25000000000000 0.79670346949135 22.990 20 Na 0.44042886341786 0.75000000000000 0.95764414331595 22.990 21 Cu 0.50675725255561 0.25000000000000 0.52441554874036 63.546 22 Cu 0.99324274744439 0.75000000000000 0.02441554874036 63.546 23 Cu 0.00675725255561 0.25000000000000 0.97558445125964 63.546 24 Cu 0.49324274744439 0.75000000000000 0.47558445125964 63.546 25 H 0.74830846602504 0.00129669713618 0.11936237274531 1.008 26 H 0.74830846602504 0.49870330286382 0.11936237274531 1.008 27 H 0.75169153397496 0.50129669713618 0.61936237274531 1.008 28 H 0.75169153397496 0.99870330286382 0.61936237274531 1.008 29 H 0.24830846602504 0.00129669713618 0.38063762725469 1.008 30 H 0.24830846602504 0.49870330286382 0.38063762725469 1.008 31 H 0.25169153397496 0.50129669713618 0.88063762725469 1.008 32 H 0.25169153397496 0.99870330286382 0.88063762725469 1.008 33 O 0.63839983768792 0.04505639471943 0.17136856440419 15.999 34 O 0.63839983768792 0.45494360528057 0.17136856440419 15.999 35 O 0.69862935343620 0.25000000000000 0.41042042176462 15.999 36 O 0.72557464853414 0.75000000000000 0.37873942248243 15.999 37 O 0.77442535146586 0.25000000000000 0.87873942248243 15.999 38 O 0.80137064656380 0.75000000000000 0.91042042176462 15.999 39 O 0.86160016231208 0.54505639471943 0.67136856440419 15.999 40 O 0.86160016231208 0.95494360528057 0.67136856440419 15.999 41 O 0.13839983768792 0.45494360528057 0.32863143559581 15.999 42 O 0.13839983768792 0.04505639471943 0.32863143559581 15.999 43 O 0.19862935343620 0.25000000000000 0.08957957823538 15.999 44 O 0.22557464853414 0.75000000000000 0.12126057751757 15.999 45 O 0.27442535146586 0.25000000000000 0.62126057751757 15.999 46 O 0.30137064656380 0.75000000000000 0.58957957823538 15.999 47 O 0.36160016231208 0.54505639471943 0.82863143559581 15.999 48 O 0.36160016231208 0.95494360528057 0.82863143559581 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.978487019999999 0.000000000000000 0.000000000000000 b 0.000000000000000 8.779166040000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.886557310000001 Atomic positions (fractional): 1 Na 0.27978556829107 0.25000000000000 0.04235585668405 22.990 > 1 2 Na 0.77978556829107 0.25000000000000 0.04235585668405 22.990 > 1 3 Na 0.28682233000182 0.75000000000000 0.20329653050865 22.990 > 3 4 Na 0.78682233000182 0.75000000000000 0.20329653050865 22.990 > 3 5 Na 0.29168582586094 0.75000000000000 0.72797846875143 22.990 > 5 6 Na 0.79168582586094 0.75000000000000 0.72797846875143 22.990 > 5 7 Na 0.37390913015810 0.00474055474773 0.36014045947126 22.990 > 7 8 Na 0.87390913015810 0.00474055474773 0.36014045947126 22.990 > 7 9 Na 0.37390913015810 0.49525944525227 0.36014045947126 22.990 > 9 10 Na 0.87390913015810 0.49525944525227 0.36014045947126 22.990 > 9 11 Na 0.37609086984190 0.50474055474773 0.86014045947126 22.990 > 11 12 Na 0.87609086984190 0.50474055474773 0.86014045947126 22.990 > 11 13 Na 0.37609086984190 0.99525944525227 0.86014045947126 22.990 > 13 14 Na 0.87609086984190 0.99525944525227 0.86014045947126 22.990 > 13 15 Na 0.45831417413906 0.25000000000000 0.22797846875143 22.990 > 15 16 Na 0.95831417413906 0.25000000000000 0.22797846875143 22.990 > 15 17 Na 0.46317766999818 0.25000000000000 0.70329653050865 22.990 > 17 18 Na 0.96317766999818 0.25000000000000 0.70329653050865 22.990 > 17 19 Na 0.47021443170893 0.75000000000000 0.54235585668405 22.990 > 19 20 Na 0.97021443170893 0.75000000000000 0.54235585668405 22.990 > 19 21 Na 0.02978556829107 0.25000000000000 0.45764414331595 22.990 > 21 22 Na 0.52978556829107 0.25000000000000 0.45764414331595 22.990 > 21 23 Na 0.03682233000182 0.75000000000000 0.29670346949135 22.990 > 23 24 Na 0.53682233000182 0.75000000000000 0.29670346949135 22.990 > 23 25 Na 0.04168582586094 0.75000000000000 0.77202153124857 22.990 > 25 26 Na 0.54168582586094 0.75000000000000 0.77202153124857 22.990 > 25 27 Na 0.12390913015810 0.00474055474773 0.13985954052874 22.990 > 27 28 Na 0.62390913015810 0.00474055474773 0.13985954052874 22.990 > 27 29 Na 0.12390913015810 0.49525944525227 0.13985954052874 22.990 > 29 30 Na 0.62390913015810 0.49525944525227 0.13985954052874 22.990 > 29 31 Na 0.12609086984190 0.50474055474773 0.63985954052874 22.990 > 31 32 Na 0.62609086984190 0.50474055474773 0.63985954052874 22.990 > 31 33 Na 0.12609086984190 0.99525944525227 0.63985954052874 22.990 > 33 34 Na 0.62609086984190 0.99525944525227 0.63985954052874 22.990 > 33 35 Na 0.20831417413906 0.25000000000000 0.27202153124857 22.990 > 35 36 Na 0.70831417413906 0.25000000000000 0.27202153124857 22.990 > 35 37 Na 0.21317766999818 0.25000000000000 0.79670346949135 22.990 > 37 38 Na 0.71317766999818 0.25000000000000 0.79670346949135 22.990 > 37 39 Na 0.22021443170893 0.75000000000000 0.95764414331595 22.990 > 39 40 Na 0.72021443170893 0.75000000000000 0.95764414331595 22.990 > 39 41 Cu 0.25337862627780 0.25000000000000 0.52441554874036 63.546 > 41 42 Cu 0.75337862627780 0.25000000000000 0.52441554874036 63.546 > 41 43 Cu 0.49662137372220 0.75000000000000 0.02441554874036 63.546 > 43 44 Cu 0.99662137372220 0.75000000000000 0.02441554874036 63.546 > 43 45 Cu 0.00337862627780 0.25000000000000 0.97558445125964 63.546 > 45 46 Cu 0.50337862627780 0.25000000000000 0.97558445125964 63.546 > 45 47 Cu 0.24662137372220 0.75000000000000 0.47558445125964 63.546 > 47 48 Cu 0.74662137372220 0.75000000000000 0.47558445125964 63.546 > 47 49 H 0.37415423301252 0.00129669713618 0.11936237274531 1.008 > 49 50 H 0.87415423301252 0.00129669713618 0.11936237274531 1.008 > 49 51 H 0.37415423301252 0.49870330286382 0.11936237274531 1.008 > 51 52 H 0.87415423301252 0.49870330286382 0.11936237274531 1.008 > 51 53 H 0.37584576698748 0.50129669713618 0.61936237274531 1.008 > 53 54 H 0.87584576698748 0.50129669713618 0.61936237274531 1.008 > 53 55 H 0.37584576698748 0.99870330286382 0.61936237274531 1.008 > 55 56 H 0.87584576698748 0.99870330286382 0.61936237274531 1.008 > 55 57 H 0.12415423301252 0.00129669713618 0.38063762725469 1.008 > 57 58 H 0.62415423301252 0.00129669713618 0.38063762725469 1.008 > 57 59 H 0.12415423301252 0.49870330286382 0.38063762725469 1.008 > 59 60 H 0.62415423301252 0.49870330286382 0.38063762725469 1.008 > 59 61 H 0.12584576698748 0.50129669713618 0.88063762725469 1.008 > 61 62 H 0.62584576698748 0.50129669713618 0.88063762725469 1.008 > 61 63 H 0.12584576698748 0.99870330286382 0.88063762725469 1.008 > 63 64 H 0.62584576698748 0.99870330286382 0.88063762725469 1.008 > 63 65 O 0.31919991884396 0.04505639471943 0.17136856440419 15.999 > 65 66 O 0.81919991884396 0.04505639471943 0.17136856440419 15.999 > 65 67 O 0.31919991884396 0.45494360528057 0.17136856440419 15.999 > 67 68 O 0.81919991884396 0.45494360528057 0.17136856440419 15.999 > 67 69 O 0.34931467671810 0.25000000000000 0.41042042176462 15.999 > 69 70 O 0.84931467671810 0.25000000000000 0.41042042176462 15.999 > 69 71 O 0.36278732426707 0.75000000000000 0.37873942248243 15.999 > 71 72 O 0.86278732426707 0.75000000000000 0.37873942248243 15.999 > 71 73 O 0.38721267573293 0.25000000000000 0.87873942248243 15.999 > 73 74 O 0.88721267573293 0.25000000000000 0.87873942248243 15.999 > 73 75 O 0.40068532328190 0.75000000000000 0.91042042176462 15.999 > 75 76 O 0.90068532328190 0.75000000000000 0.91042042176462 15.999 > 75 77 O 0.43080008115604 0.54505639471943 0.67136856440419 15.999 > 77 78 O 0.93080008115604 0.54505639471943 0.67136856440419 15.999 > 77 79 O 0.43080008115604 0.95494360528057 0.67136856440419 15.999 > 79 80 O 0.93080008115604 0.95494360528057 0.67136856440419 15.999 > 79 81 O 0.06919991884396 0.45494360528057 0.32863143559581 15.999 > 81 82 O 0.56919991884396 0.45494360528057 0.32863143559581 15.999 > 81 83 O 0.06919991884396 0.04505639471943 0.32863143559581 15.999 > 83 84 O 0.56919991884396 0.04505639471943 0.32863143559581 15.999 > 83 85 O 0.09931467671810 0.25000000000000 0.08957957823538 15.999 > 85 86 O 0.59931467671810 0.25000000000000 0.08957957823538 15.999 > 85 87 O 0.11278732426707 0.75000000000000 0.12126057751757 15.999 > 87 88 O 0.61278732426707 0.75000000000000 0.12126057751757 15.999 > 87 89 O 0.13721267573293 0.25000000000000 0.62126057751757 15.999 > 89 90 O 0.63721267573293 0.25000000000000 0.62126057751757 15.999 > 89 91 O 0.15068532328190 0.75000000000000 0.58957957823538 15.999 > 91 92 O 0.65068532328190 0.75000000000000 0.58957957823538 15.999 > 91 93 O 0.18080008115604 0.54505639471943 0.82863143559581 15.999 > 93 94 O 0.68080008115604 0.54505639471943 0.82863143559581 15.999 > 93 95 O 0.18080008115604 0.95494360528057 0.82863143559581 15.999 > 95 96 O 0.68080008115604 0.95494360528057 0.82863143559581 15.999 > 95 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9731068 0.0000000 0.0000000 0.0000000 3.1077012 0.0000000 0.0000000 0.0000000 2.9648076 -------------------------- Born effective charges -------------------------- 1 Na 1.1938381 0.0000000 -0.0698833 0.0000000 0.8837422 0.0000000 -0.0195827 0.0000000 0.8239780 2 Na 1.0734553 0.0000000 -0.0363329 0.0000000 0.9695742 0.0000000 -0.0148242 0.0000000 1.1250350 3 Na 1.0059117 0.0000000 0.0623919 0.0000000 1.0314515 0.0000000 0.0665130 0.0000000 1.3005621 4 Na 0.9586124 0.0337558 -0.0837508 0.0277800 1.0207970 0.0091368 -0.0272268 0.0397352 0.9750713 5 Na 0.9586124 -0.0337558 -0.0837508 -0.0277800 1.0207970 -0.0091368 -0.0272268 -0.0397352 0.9750713 6 Na 0.9586124 -0.0337558 0.0837508 -0.0277800 1.0207970 0.0091368 0.0272268 0.0397352 0.9750713 7 Na 0.9586124 0.0337558 0.0837508 0.0277800 1.0207970 -0.0091368 0.0272268 -0.0397352 0.9750713 8 Na 1.0059117 0.0000000 -0.0623919 0.0000000 1.0314515 0.0000000 -0.0665130 0.0000000 1.3005621 9 Na 1.0734553 0.0000000 0.0363329 0.0000000 0.9695742 0.0000000 0.0148242 0.0000000 1.1250350 10 Na 1.1938381 0.0000000 0.0698833 0.0000000 0.8837422 0.0000000 0.0195827 0.0000000 0.8239780 11 Na 1.1938381 0.0000000 0.0698833 0.0000000 0.8837422 0.0000000 0.0195827 0.0000000 0.8239780 12 Na 1.0734553 0.0000000 0.0363329 0.0000000 0.9695742 0.0000000 0.0148242 0.0000000 1.1250350 13 Na 1.0059117 0.0000000 -0.0623919 0.0000000 1.0314515 0.0000000 -0.0665130 0.0000000 1.3005621 14 Na 0.9586124 0.0337558 0.0837508 0.0277800 1.0207970 -0.0091368 0.0272268 -0.0397352 0.9750713 15 Na 0.9586124 -0.0337558 0.0837508 -0.0277800 1.0207970 0.0091368 0.0272268 0.0397352 0.9750713 16 Na 0.9586124 -0.0337558 -0.0837508 -0.0277800 1.0207970 -0.0091368 -0.0272268 -0.0397352 0.9750713 17 Na 0.9586124 0.0337558 -0.0837508 0.0277800 1.0207970 0.0091368 -0.0272268 0.0397352 0.9750713 18 Na 1.0059117 0.0000000 0.0623919 0.0000000 1.0314515 0.0000000 0.0665130 0.0000000 1.3005621 19 Na 1.0734553 0.0000000 -0.0363329 0.0000000 0.9695742 0.0000000 -0.0148242 0.0000000 1.1250350 20 Na 1.1938381 0.0000000 -0.0698833 0.0000000 0.8837422 0.0000000 -0.0195827 0.0000000 0.8239780 21 Cu 0.4104867 0.0000000 -1.1181085 0.0000000 -0.9198435 0.0000000 -1.1200459 0.0000000 0.3802913 22 Cu 0.4104867 0.0000000 1.1181085 0.0000000 -0.9198435 0.0000000 1.1200459 0.0000000 0.3802913 23 Cu 0.4104867 0.0000000 1.1181085 0.0000000 -0.9198435 0.0000000 1.1200459 0.0000000 0.3802913 24 Cu 0.4104867 0.0000000 -1.1181085 0.0000000 -0.9198435 0.0000000 -1.1200459 0.0000000 0.3802913 25 H 0.2317029 0.0323151 0.0493126 0.0038382 0.4914554 -0.0264127 0.0467170 -0.0381091 0.2184943 26 H 0.2317029 -0.0323151 0.0493126 -0.0038382 0.4914554 0.0264127 0.0467170 0.0381091 0.2184943 27 H 0.2317029 -0.0323151 -0.0493126 -0.0038382 0.4914554 -0.0264127 -0.0467170 -0.0381091 0.2184943 28 H 0.2317029 0.0323151 -0.0493126 0.0038382 0.4914554 0.0264127 -0.0467170 0.0381091 0.2184943 29 H 0.2317029 0.0323151 -0.0493126 0.0038382 0.4914554 0.0264127 -0.0467170 0.0381091 0.2184943 30 H 0.2317029 -0.0323151 -0.0493126 -0.0038382 0.4914554 -0.0264127 -0.0467170 -0.0381091 0.2184943 31 H 0.2317029 -0.0323151 0.0493126 -0.0038382 0.4914554 0.0264127 0.0467170 0.0381091 0.2184943 32 H 0.2317029 0.0323151 0.0493126 0.0038382 0.4914554 -0.0264127 0.0467170 -0.0381091 0.2184943 33 O -1.3624106 -0.0471708 0.0257496 -0.0222357 -1.5297330 0.0422750 -0.0112266 0.0415549 -1.3781271 34 O -1.3624106 0.0471708 0.0257496 0.0222357 -1.5297330 -0.0422750 -0.0112266 -0.0415549 -1.3781271 35 O -1.5089301 0.0000000 0.6083766 0.0000000 -0.9883187 0.0000000 0.6503073 0.0000000 -1.7748933 36 O -1.8305710 0.0000000 0.6389031 0.0000000 -0.9416442 0.0000000 0.6007886 0.0000000 -1.4858502 37 O -1.8305710 0.0000000 -0.6389031 0.0000000 -0.9416442 0.0000000 -0.6007886 0.0000000 -1.4858502 38 O -1.5089301 0.0000000 -0.6083766 0.0000000 -0.9883187 0.0000000 -0.6503073 0.0000000 -1.7748933 39 O -1.3624106 0.0471708 -0.0257496 0.0222357 -1.5297330 0.0422750 0.0112266 0.0415549 -1.3781271 40 O -1.3624106 -0.0471708 -0.0257496 -0.0222357 -1.5297330 -0.0422750 0.0112266 -0.0415549 -1.3781271 41 O -1.3624106 0.0471708 -0.0257496 0.0222357 -1.5297330 0.0422750 0.0112266 0.0415549 -1.3781271 42 O -1.3624106 -0.0471708 -0.0257496 -0.0222357 -1.5297330 -0.0422750 0.0112266 -0.0415549 -1.3781271 43 O -1.5089301 0.0000000 -0.6083766 0.0000000 -0.9883187 0.0000000 -0.6503073 0.0000000 -1.7748933 44 O -1.8305710 0.0000000 -0.6389031 0.0000000 -0.9416442 0.0000000 -0.6007886 0.0000000 -1.4858502 45 O -1.8305710 0.0000000 0.6389031 0.0000000 -0.9416442 0.0000000 0.6007886 0.0000000 -1.4858502 46 O -1.5089301 0.0000000 0.6083766 0.0000000 -0.9883187 0.0000000 0.6503073 0.0000000 -1.7748933 47 O -1.3624106 0.0471708 0.0257496 0.0222357 -1.5297330 -0.0422750 -0.0112266 -0.0415549 -1.3781271 48 O -1.3624106 -0.0471708 0.0257496 -0.0222357 -1.5297330 0.0422750 -0.0112266 0.0415549 -1.3781271 ---------------------------------------------------------------------------- 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[ 3, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 7, 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[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 69, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 71, 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: -0.00000005 (zxz) -0.00000005 (zxz) -0.00000005 (zzx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (xz) 0.00000001 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 00:08:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 00:08:35]------------------------- 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 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.989243510000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.779166040000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.886557310000001 Atomic positions (fractional): 1 Na 0.55957113658214 0.25000000000000 0.04235585668405 22.990 2 Na 0.57364466000364 0.75000000000000 0.20329653050865 22.990 3 Na 0.58337165172187 0.75000000000000 0.72797846875143 22.990 4 Na 0.74781826031619 0.00474055474773 0.36014045947126 22.990 5 Na 0.74781826031619 0.49525944525227 0.36014045947126 22.990 6 Na 0.75218173968381 0.50474055474773 0.86014045947126 22.990 7 Na 0.75218173968381 0.99525944525227 0.86014045947126 22.990 8 Na 0.91662834827813 0.25000000000000 0.22797846875143 22.990 9 Na 0.92635533999636 0.25000000000000 0.70329653050865 22.990 10 Na 0.94042886341786 0.75000000000000 0.54235585668405 22.990 11 Na 0.05957113658214 0.25000000000000 0.45764414331595 22.990 12 Na 0.07364466000364 0.75000000000000 0.29670346949135 22.990 13 Na 0.08337165172187 0.75000000000000 0.77202153124857 22.990 14 Na 0.24781826031619 0.00474055474773 0.13985954052874 22.990 15 Na 0.24781826031619 0.49525944525227 0.13985954052874 22.990 16 Na 0.25218173968381 0.50474055474773 0.63985954052874 22.990 17 Na 0.25218173968381 0.99525944525227 0.63985954052874 22.990 18 Na 0.41662834827813 0.25000000000000 0.27202153124857 22.990 19 Na 0.42635533999636 0.25000000000000 0.79670346949135 22.990 20 Na 0.44042886341786 0.75000000000000 0.95764414331595 22.990 21 Cu 0.50675725255561 0.25000000000000 0.52441554874036 63.546 22 Cu 0.99324274744439 0.75000000000000 0.02441554874036 63.546 23 Cu 0.00675725255561 0.25000000000000 0.97558445125964 63.546 24 Cu 0.49324274744439 0.75000000000000 0.47558445125964 63.546 25 H 0.74830846602504 0.00129669713618 0.11936237274531 1.008 26 H 0.74830846602504 0.49870330286382 0.11936237274531 1.008 27 H 0.75169153397496 0.50129669713618 0.61936237274531 1.008 28 H 0.75169153397496 0.99870330286382 0.61936237274531 1.008 29 H 0.24830846602504 0.00129669713618 0.38063762725469 1.008 30 H 0.24830846602504 0.49870330286382 0.38063762725469 1.008 31 H 0.25169153397496 0.50129669713618 0.88063762725469 1.008 32 H 0.25169153397496 0.99870330286382 0.88063762725469 1.008 33 O 0.63839983768792 0.04505639471943 0.17136856440419 15.999 34 O 0.63839983768792 0.45494360528057 0.17136856440419 15.999 35 O 0.69862935343620 0.25000000000000 0.41042042176462 15.999 36 O 0.72557464853414 0.75000000000000 0.37873942248243 15.999 37 O 0.77442535146586 0.25000000000000 0.87873942248243 15.999 38 O 0.80137064656380 0.75000000000000 0.91042042176462 15.999 39 O 0.86160016231208 0.54505639471943 0.67136856440419 15.999 40 O 0.86160016231208 0.95494360528057 0.67136856440419 15.999 41 O 0.13839983768792 0.45494360528057 0.32863143559581 15.999 42 O 0.13839983768792 0.04505639471943 0.32863143559581 15.999 43 O 0.19862935343620 0.25000000000000 0.08957957823538 15.999 44 O 0.22557464853414 0.75000000000000 0.12126057751757 15.999 45 O 0.27442535146586 0.25000000000000 0.62126057751757 15.999 46 O 0.30137064656380 0.75000000000000 0.58957957823538 15.999 47 O 0.36160016231208 0.54505639471943 0.82863143559581 15.999 48 O 0.36160016231208 0.95494360528057 0.82863143559581 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.978487019999999 0.000000000000000 0.000000000000000 b 0.000000000000000 8.779166040000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.886557310000001 Atomic positions (fractional): 1 Na 0.27978556829107 0.25000000000000 0.04235585668405 22.990 > 1 2 Na 0.77978556829107 0.25000000000000 0.04235585668405 22.990 > 1 3 Na 0.28682233000182 0.75000000000000 0.20329653050865 22.990 > 3 4 Na 0.78682233000182 0.75000000000000 0.20329653050865 22.990 > 3 5 Na 0.29168582586094 0.75000000000000 0.72797846875143 22.990 > 5 6 Na 0.79168582586094 0.75000000000000 0.72797846875143 22.990 > 5 7 Na 0.37390913015810 0.00474055474773 0.36014045947126 22.990 > 7 8 Na 0.87390913015810 0.00474055474773 0.36014045947126 22.990 > 7 9 Na 0.37390913015810 0.49525944525227 0.36014045947126 22.990 > 9 10 Na 0.87390913015810 0.49525944525227 0.36014045947126 22.990 > 9 11 Na 0.37609086984190 0.50474055474773 0.86014045947126 22.990 > 11 12 Na 0.87609086984190 0.50474055474773 0.86014045947126 22.990 > 11 13 Na 0.37609086984190 0.99525944525227 0.86014045947126 22.990 > 13 14 Na 0.87609086984190 0.99525944525227 0.86014045947126 22.990 > 13 15 Na 0.45831417413906 0.25000000000000 0.22797846875143 22.990 > 15 16 Na 0.95831417413906 0.25000000000000 0.22797846875143 22.990 > 15 17 Na 0.46317766999818 0.25000000000000 0.70329653050865 22.990 > 17 18 Na 0.96317766999818 0.25000000000000 0.70329653050865 22.990 > 17 19 Na 0.47021443170893 0.75000000000000 0.54235585668405 22.990 > 19 20 Na 0.97021443170893 0.75000000000000 0.54235585668405 22.990 > 19 21 Na 0.02978556829107 0.25000000000000 0.45764414331595 22.990 > 21 22 Na 0.52978556829107 0.25000000000000 0.45764414331595 22.990 > 21 23 Na 0.03682233000182 0.75000000000000 0.29670346949135 22.990 > 23 24 Na 0.53682233000182 0.75000000000000 0.29670346949135 22.990 > 23 25 Na 0.04168582586094 0.75000000000000 0.77202153124857 22.990 > 25 26 Na 0.54168582586094 0.75000000000000 0.77202153124857 22.990 > 25 27 Na 0.12390913015810 0.00474055474773 0.13985954052874 22.990 > 27 28 Na 0.62390913015810 0.00474055474773 0.13985954052874 22.990 > 27 29 Na 0.12390913015810 0.49525944525227 0.13985954052874 22.990 > 29 30 Na 0.62390913015810 0.49525944525227 0.13985954052874 22.990 > 29 31 Na 0.12609086984190 0.50474055474773 0.63985954052874 22.990 > 31 32 Na 0.62609086984190 0.50474055474773 0.63985954052874 22.990 > 31 33 Na 0.12609086984190 0.99525944525227 0.63985954052874 22.990 > 33 34 Na 0.62609086984190 0.99525944525227 0.63985954052874 22.990 > 33 35 Na 0.20831417413906 0.25000000000000 0.27202153124857 22.990 > 35 36 Na 0.70831417413906 0.25000000000000 0.27202153124857 22.990 > 35 37 Na 0.21317766999818 0.25000000000000 0.79670346949135 22.990 > 37 38 Na 0.71317766999818 0.25000000000000 0.79670346949135 22.990 > 37 39 Na 0.22021443170893 0.75000000000000 0.95764414331595 22.990 > 39 40 Na 0.72021443170893 0.75000000000000 0.95764414331595 22.990 > 39 41 Cu 0.25337862627780 0.25000000000000 0.52441554874036 63.546 > 41 42 Cu 0.75337862627780 0.25000000000000 0.52441554874036 63.546 > 41 43 Cu 0.49662137372220 0.75000000000000 0.02441554874036 63.546 > 43 44 Cu 0.99662137372220 0.75000000000000 0.02441554874036 63.546 > 43 45 Cu 0.00337862627780 0.25000000000000 0.97558445125964 63.546 > 45 46 Cu 0.50337862627780 0.25000000000000 0.97558445125964 63.546 > 45 47 Cu 0.24662137372220 0.75000000000000 0.47558445125964 63.546 > 47 48 Cu 0.74662137372220 0.75000000000000 0.47558445125964 63.546 > 47 49 H 0.37415423301252 0.00129669713618 0.11936237274531 1.008 > 49 50 H 0.87415423301252 0.00129669713618 0.11936237274531 1.008 > 49 51 H 0.37415423301252 0.49870330286382 0.11936237274531 1.008 > 51 52 H 0.87415423301252 0.49870330286382 0.11936237274531 1.008 > 51 53 H 0.37584576698748 0.50129669713618 0.61936237274531 1.008 > 53 54 H 0.87584576698748 0.50129669713618 0.61936237274531 1.008 > 53 55 H 0.37584576698748 0.99870330286382 0.61936237274531 1.008 > 55 56 H 0.87584576698748 0.99870330286382 0.61936237274531 1.008 > 55 57 H 0.12415423301252 0.00129669713618 0.38063762725469 1.008 > 57 58 H 0.62415423301252 0.00129669713618 0.38063762725469 1.008 > 57 59 H 0.12415423301252 0.49870330286382 0.38063762725469 1.008 > 59 60 H 0.62415423301252 0.49870330286382 0.38063762725469 1.008 > 59 61 H 0.12584576698748 0.50129669713618 0.88063762725469 1.008 > 61 62 H 0.62584576698748 0.50129669713618 0.88063762725469 1.008 > 61 63 H 0.12584576698748 0.99870330286382 0.88063762725469 1.008 > 63 64 H 0.62584576698748 0.99870330286382 0.88063762725469 1.008 > 63 65 O 0.31919991884396 0.04505639471943 0.17136856440419 15.999 > 65 66 O 0.81919991884396 0.04505639471943 0.17136856440419 15.999 > 65 67 O 0.31919991884396 0.45494360528057 0.17136856440419 15.999 > 67 68 O 0.81919991884396 0.45494360528057 0.17136856440419 15.999 > 67 69 O 0.34931467671810 0.25000000000000 0.41042042176462 15.999 > 69 70 O 0.84931467671810 0.25000000000000 0.41042042176462 15.999 > 69 71 O 0.36278732426707 0.75000000000000 0.37873942248243 15.999 > 71 72 O 0.86278732426707 0.75000000000000 0.37873942248243 15.999 > 71 73 O 0.38721267573293 0.25000000000000 0.87873942248243 15.999 > 73 74 O 0.88721267573293 0.25000000000000 0.87873942248243 15.999 > 73 75 O 0.40068532328190 0.75000000000000 0.91042042176462 15.999 > 75 76 O 0.90068532328190 0.75000000000000 0.91042042176462 15.999 > 75 77 O 0.43080008115604 0.54505639471943 0.67136856440419 15.999 > 77 78 O 0.93080008115604 0.54505639471943 0.67136856440419 15.999 > 77 79 O 0.43080008115604 0.95494360528057 0.67136856440419 15.999 > 79 80 O 0.93080008115604 0.95494360528057 0.67136856440419 15.999 > 79 81 O 0.06919991884396 0.45494360528057 0.32863143559581 15.999 > 81 82 O 0.56919991884396 0.45494360528057 0.32863143559581 15.999 > 81 83 O 0.06919991884396 0.04505639471943 0.32863143559581 15.999 > 83 84 O 0.56919991884396 0.04505639471943 0.32863143559581 15.999 > 83 85 O 0.09931467671810 0.25000000000000 0.08957957823538 15.999 > 85 86 O 0.59931467671810 0.25000000000000 0.08957957823538 15.999 > 85 87 O 0.11278732426707 0.75000000000000 0.12126057751757 15.999 > 87 88 O 0.61278732426707 0.75000000000000 0.12126057751757 15.999 > 87 89 O 0.13721267573293 0.25000000000000 0.62126057751757 15.999 > 89 90 O 0.63721267573293 0.25000000000000 0.62126057751757 15.999 > 89 91 O 0.15068532328190 0.75000000000000 0.58957957823538 15.999 > 91 92 O 0.65068532328190 0.75000000000000 0.58957957823538 15.999 > 91 93 O 0.18080008115604 0.54505639471943 0.82863143559581 15.999 > 93 94 O 0.68080008115604 0.54505639471943 0.82863143559581 15.999 > 93 95 O 0.18080008115604 0.95494360528057 0.82863143559581 15.999 > 95 96 O 0.68080008115604 0.95494360528057 0.82863143559581 15.999 > 95 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.9731068 0.0000000 0.0000000 0.0000000 3.1077012 0.0000000 0.0000000 0.0000000 2.9648076 -------------------------- Born effective charges -------------------------- 1 Na 1.1938381 0.0000000 -0.0698833 0.0000000 0.8837422 0.0000000 -0.0195827 0.0000000 0.8239780 2 Na 1.0734553 0.0000000 -0.0363329 0.0000000 0.9695742 0.0000000 -0.0148242 0.0000000 1.1250350 3 Na 1.0059117 0.0000000 0.0623919 0.0000000 1.0314515 0.0000000 0.0665130 0.0000000 1.3005621 4 Na 0.9586124 0.0337558 -0.0837508 0.0277800 1.0207970 0.0091368 -0.0272268 0.0397352 0.9750713 5 Na 0.9586124 -0.0337558 -0.0837508 -0.0277800 1.0207970 -0.0091368 -0.0272268 -0.0397352 0.9750713 6 Na 0.9586124 -0.0337558 0.0837508 -0.0277800 1.0207970 0.0091368 0.0272268 0.0397352 0.9750713 7 Na 0.9586124 0.0337558 0.0837508 0.0277800 1.0207970 -0.0091368 0.0272268 -0.0397352 0.9750713 8 Na 1.0059117 0.0000000 -0.0623919 0.0000000 1.0314515 0.0000000 -0.0665130 0.0000000 1.3005621 9 Na 1.0734553 0.0000000 0.0363329 0.0000000 0.9695742 0.0000000 0.0148242 0.0000000 1.1250350 10 Na 1.1938381 0.0000000 0.0698833 0.0000000 0.8837422 0.0000000 0.0195827 0.0000000 0.8239780 11 Na 1.1938381 0.0000000 0.0698833 0.0000000 0.8837422 0.0000000 0.0195827 0.0000000 0.8239780 12 Na 1.0734553 0.0000000 0.0363329 0.0000000 0.9695742 0.0000000 0.0148242 0.0000000 1.1250350 13 Na 1.0059117 0.0000000 -0.0623919 0.0000000 1.0314515 0.0000000 -0.0665130 0.0000000 1.3005621 14 Na 0.9586124 0.0337558 0.0837508 0.0277800 1.0207970 -0.0091368 0.0272268 -0.0397352 0.9750713 15 Na 0.9586124 -0.0337558 0.0837508 -0.0277800 1.0207970 0.0091368 0.0272268 0.0397352 0.9750713 16 Na 0.9586124 -0.0337558 -0.0837508 -0.0277800 1.0207970 -0.0091368 -0.0272268 -0.0397352 0.9750713 17 Na 0.9586124 0.0337558 -0.0837508 0.0277800 1.0207970 0.0091368 -0.0272268 0.0397352 0.9750713 18 Na 1.0059117 0.0000000 0.0623919 0.0000000 1.0314515 0.0000000 0.0665130 0.0000000 1.3005621 19 Na 1.0734553 0.0000000 -0.0363329 0.0000000 0.9695742 0.0000000 -0.0148242 0.0000000 1.1250350 20 Na 1.1938381 0.0000000 -0.0698833 0.0000000 0.8837422 0.0000000 -0.0195827 0.0000000 0.8239780 21 Cu 0.4104867 0.0000000 -1.1181085 0.0000000 -0.9198435 0.0000000 -1.1200459 0.0000000 0.3802913 22 Cu 0.4104867 0.0000000 1.1181085 0.0000000 -0.9198435 0.0000000 1.1200459 0.0000000 0.3802913 23 Cu 0.4104867 0.0000000 1.1181085 0.0000000 -0.9198435 0.0000000 1.1200459 0.0000000 0.3802913 24 Cu 0.4104867 0.0000000 -1.1181085 0.0000000 -0.9198435 0.0000000 -1.1200459 0.0000000 0.3802913 25 H 0.2317029 0.0323151 0.0493126 0.0038382 0.4914554 -0.0264127 0.0467170 -0.0381091 0.2184943 26 H 0.2317029 -0.0323151 0.0493126 -0.0038382 0.4914554 0.0264127 0.0467170 0.0381091 0.2184943 27 H 0.2317029 -0.0323151 -0.0493126 -0.0038382 0.4914554 -0.0264127 -0.0467170 -0.0381091 0.2184943 28 H 0.2317029 0.0323151 -0.0493126 0.0038382 0.4914554 0.0264127 -0.0467170 0.0381091 0.2184943 29 H 0.2317029 0.0323151 -0.0493126 0.0038382 0.4914554 0.0264127 -0.0467170 0.0381091 0.2184943 30 H 0.2317029 -0.0323151 -0.0493126 -0.0038382 0.4914554 -0.0264127 -0.0467170 -0.0381091 0.2184943 31 H 0.2317029 -0.0323151 0.0493126 -0.0038382 0.4914554 0.0264127 0.0467170 0.0381091 0.2184943 32 H 0.2317029 0.0323151 0.0493126 0.0038382 0.4914554 -0.0264127 0.0467170 -0.0381091 0.2184943 33 O -1.3624106 -0.0471708 0.0257496 -0.0222357 -1.5297330 0.0422750 -0.0112266 0.0415549 -1.3781271 34 O -1.3624106 0.0471708 0.0257496 0.0222357 -1.5297330 -0.0422750 -0.0112266 -0.0415549 -1.3781271 35 O -1.5089301 0.0000000 0.6083766 0.0000000 -0.9883187 0.0000000 0.6503073 0.0000000 -1.7748933 36 O -1.8305710 0.0000000 0.6389031 0.0000000 -0.9416442 0.0000000 0.6007886 0.0000000 -1.4858502 37 O -1.8305710 0.0000000 -0.6389031 0.0000000 -0.9416442 0.0000000 -0.6007886 0.0000000 -1.4858502 38 O -1.5089301 0.0000000 -0.6083766 0.0000000 -0.9883187 0.0000000 -0.6503073 0.0000000 -1.7748933 39 O -1.3624106 0.0471708 -0.0257496 0.0222357 -1.5297330 0.0422750 0.0112266 0.0415549 -1.3781271 40 O -1.3624106 -0.0471708 -0.0257496 -0.0222357 -1.5297330 -0.0422750 0.0112266 -0.0415549 -1.3781271 41 O -1.3624106 0.0471708 -0.0257496 0.0222357 -1.5297330 0.0422750 0.0112266 0.0415549 -1.3781271 42 O -1.3624106 -0.0471708 -0.0257496 -0.0222357 -1.5297330 -0.0422750 0.0112266 -0.0415549 -1.3781271 43 O -1.5089301 0.0000000 -0.6083766 0.0000000 -0.9883187 0.0000000 -0.6503073 0.0000000 -1.7748933 44 O -1.8305710 0.0000000 -0.6389031 0.0000000 -0.9416442 0.0000000 -0.6007886 0.0000000 -1.4858502 45 O -1.8305710 0.0000000 0.6389031 0.0000000 -0.9416442 0.0000000 0.6007886 0.0000000 -1.4858502 46 O -1.5089301 0.0000000 0.6083766 0.0000000 -0.9883187 0.0000000 0.6503073 0.0000000 -1.7748933 47 O -1.3624106 0.0471708 0.0257496 0.0222357 -1.5297330 -0.0422750 -0.0112266 -0.0415549 -1.3781271 48 O -1.3624106 -0.0471708 0.0257496 -0.0222357 -1.5297330 0.0422750 -0.0112266 0.0415549 -1.3781271 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000005 (zxz) -0.00000005 (zxz) -0.00000005 (zzx) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- 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 ... [ 8 6 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.49, Number of G-points: 303, Lambda: 0.09 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: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.238 ( 0.000 0.000 0.000) 0.000 1.844 ( 0.000 0.000 0.000) 0.000 1.879 ( 0.000 0.000 0.000) 0.000 1.922 ( 0.000 0.000 0.000) 0.000 2.076 ( 0.000 0.000 0.000) 0.000 2.121 ( 0.000 0.000 0.000) 0.000 2.171 ( 0.000 0.000 0.000) 0.000 2.365 ( 0.000 0.000 0.000) 0.000 2.454 ( 0.000 0.000 0.000) 0.000 2.557 ( 0.000 0.000 0.000) 0.000 2.656 ( 0.000 0.000 0.000) 0.000 2.812 ( 0.000 0.000 0.000) 0.000 2.951 ( 0.000 0.000 0.000) 0.000 2.957 ( 0.000 0.000 0.000) 0.000 2.966 ( 0.000 0.000 0.000) 0.000 3.041 ( 0.000 0.000 0.000) 0.000 3.147 ( 0.000 0.000 0.000) 0.000 3.258 ( 0.000 0.000 0.000) 0.000 3.343 ( 0.000 0.000 0.000) 0.000 3.398 ( 0.000 0.000 0.000) 0.000 3.488 ( 0.000 0.000 0.000) 0.000 3.523 ( 0.000 0.000 0.000) 0.000 3.539 ( 0.000 0.000 0.000) 0.000 3.545 ( 0.000 0.000 0.000) 0.000 3.612 ( 0.000 0.000 0.000) 0.000 3.644 ( 0.000 0.000 0.000) 0.000 3.740 ( 0.000 0.000 0.000) 0.000 3.807 ( 0.000 0.000 0.000) 0.000 3.891 ( 0.000 0.000 0.000) 0.000 3.942 ( 0.000 0.000 0.000) 0.000 3.999 ( 0.000 0.000 0.000) 0.000 4.022 ( 0.000 0.000 0.000) 0.000 4.115 ( 0.000 0.000 0.000) 0.000 4.184 ( 0.000 0.000 0.000) 0.000 4.233 ( 0.000 0.000 0.000) 0.000 4.477 ( 0.000 0.000 0.000) 0.000 4.541 ( 0.000 0.000 0.000) 0.000 4.701 ( 0.000 0.000 0.000) 0.000 4.807 ( 0.000 0.000 0.000) 0.000 4.864 ( 0.000 0.000 0.000) 0.000 4.902 ( 0.000 0.000 0.000) 0.000 5.113 ( 0.000 0.000 0.000) 0.000 5.236 ( 0.000 0.000 0.000) 0.000 5.286 ( 0.000 0.000 0.000) 0.000 5.355 ( 0.000 0.000 0.000) 0.000 5.399 ( 0.000 0.000 0.000) 0.000 5.438 ( 0.000 0.000 0.000) 0.000 5.580 ( 0.000 0.000 0.000) 0.000 5.697 ( 0.000 0.000 0.000) 0.000 5.737 ( 0.000 0.000 0.000) 0.000 5.745 ( 0.000 0.000 0.000) 0.000 5.763 ( 0.000 0.000 0.000) 0.000 5.874 ( 0.000 0.000 0.000) 0.000 5.906 ( 0.000 0.000 0.000) 0.000 5.927 ( 0.000 0.000 0.000) 0.000 5.959 ( 0.000 0.000 0.000) 0.000 6.173 ( 0.000 0.000 0.000) 0.000 6.302 ( 0.000 0.000 0.000) 0.000 6.326 ( 0.000 0.000 0.000) 0.000 6.386 ( 0.000 0.000 0.000) 0.000 6.412 ( 0.000 0.000 0.000) 0.000 6.415 ( 0.000 0.000 0.000) 0.000 6.534 ( 0.000 0.000 0.000) 0.000 6.561 ( 0.000 0.000 0.000) 0.000 6.622 ( 0.000 0.000 0.000) 0.000 6.670 ( 0.000 0.000 0.000) 0.000 6.694 ( 0.000 0.000 0.000) 0.000 6.726 ( 0.000 0.000 0.000) 0.000 6.847 ( 0.000 0.000 0.000) 0.000 6.858 ( 0.000 0.000 0.000) 0.000 6.872 ( 0.000 0.000 0.000) 0.000 6.872 ( 0.000 0.000 0.000) 0.000 7.098 ( 0.000 0.000 0.000) 0.000 7.099 ( 0.000 0.000 0.000) 0.000 7.114 ( 0.000 0.000 0.000) 0.000 7.281 ( 0.000 0.000 0.000) 0.000 7.414 ( 0.000 0.000 0.000) 0.000 7.558 ( 0.000 0.000 0.000) 0.000 7.699 ( 0.000 0.000 0.000) 0.000 7.711 ( 0.000 0.000 0.000) 0.000 7.741 ( 0.000 0.000 0.000) 0.000 7.771 ( 0.000 0.000 0.000) 0.000 7.779 ( 0.000 0.000 0.000) 0.000 7.829 ( 0.000 0.000 0.000) 0.000 7.943 ( 0.000 0.000 0.000) 0.000 7.953 ( 0.000 0.000 0.000) 0.000 7.971 ( 0.000 0.000 0.000) 0.000 8.438 ( 0.000 0.000 0.000) 0.000 8.675 ( 0.000 0.000 0.000) 0.000 8.985 ( 0.000 0.000 0.000) 0.000 9.114 ( 0.000 0.000 0.000) 0.000 9.420 ( 0.000 0.000 0.000) 0.000 9.534 ( 0.000 0.000 0.000) 0.000 9.586 ( 0.000 0.000 0.000) 0.000 9.641 ( 0.000 0.000 0.000) 0.000 9.977 ( 0.000 0.000 0.000) 0.000 10.096 ( 0.000 0.000 0.000) 0.000 10.238 ( 0.000 0.000 0.000) 0.000 10.481 ( 0.000 0.000 0.000) 0.000 10.521 ( 0.000 0.000 0.000) 0.000 10.787 ( 0.000 0.000 0.000) 0.000 10.837 ( 0.000 0.000 0.000) 0.000 10.837 ( 0.000 0.000 0.000) 0.000 10.902 ( 0.000 0.000 0.000) 0.000 11.143 ( 0.000 0.000 0.000) 0.000 11.788 ( 0.000 0.000 0.000) 0.000 11.872 ( 0.000 0.000 0.000) 0.000 12.221 ( 0.000 0.000 0.000) 0.000 12.242 ( 0.000 0.000 0.000) 0.000 16.548 ( 0.000 0.000 0.000) 0.000 16.595 ( 0.000 0.000 0.000) 0.000 16.814 ( 0.000 0.000 0.000) 0.000 16.862 ( 0.000 0.000 0.000) 0.000 16.910 ( 0.000 0.000 0.000) 0.000 16.913 ( 0.000 0.000 0.000) 0.000 17.121 ( 0.000 0.000 0.000) 0.000 17.137 ( 0.000 0.000 0.000) 0.000 17.155 ( 0.000 0.000 0.000) 0.000 17.333 ( 0.000 0.000 0.000) 0.000 17.414 ( 0.000 0.000 0.000) 0.000 17.420 ( 0.000 0.000 0.000) 0.000 17.543 ( 0.000 0.000 0.000) 0.000 17.593 ( 0.000 0.000 0.000) 0.000 17.618 ( 0.000 0.000 0.000) 0.000 17.928 ( 0.000 0.000 0.000) 0.000 18.295 ( 0.000 0.000 0.000) 0.000 18.395 ( 0.000 0.000 0.000) 0.000 18.713 ( 0.000 0.000 0.000) 0.000 19.116 ( 0.000 0.000 0.000) 0.000 19.655 ( 0.000 0.000 0.000) 0.000 19.771 ( 0.000 0.000 0.000) 0.000 19.771 ( 0.000 0.000 0.000) 0.000 20.523 ( 0.000 0.000 0.000) 0.000 107.914 ( 0.000 0.000 0.000) 0.000 107.931 ( 0.000 0.000 0.000) 0.000 107.931 ( 0.000 0.000 0.000) 0.000 107.932 ( 0.000 0.000 0.000) 0.000 107.959 ( 0.000 0.000 0.000) 0.000 107.969 ( 0.000 0.000 0.000) 0.000 107.992 ( 0.000 0.000 0.000) 0.000 108.010 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.478 ( 22.798 0.000 0.000) 22.798 0.608 ( 28.718 0.000 0.000) 28.718 0.940 ( 42.876 0.000 0.000) 42.876 1.253 ( 1.590 0.000 0.000) 1.590 1.737 ( -9.998 0.000 0.000) 9.998 1.900 ( -2.933 0.000 0.000) 2.933 1.948 ( 5.495 0.000 0.000) 5.495 2.143 ( 2.893 0.000 0.000) 2.893 2.170 ( 9.321 0.000 0.000) 9.321 2.259 ( -4.031 0.000 0.000) 4.031 2.349 ( 13.916 0.000 0.000) 13.916 2.508 ( -3.888 0.000 0.000) 3.888 2.544 ( -9.382 0.000 0.000) 9.382 2.585 ( 9.862 0.000 0.000) 9.862 2.898 ( 6.896 0.000 0.000) 6.896 2.904 ( -6.523 0.000 0.000) 6.523 2.946 ( -0.505 0.000 0.000) 0.505 3.018 ( -1.151 0.000 0.000) 1.151 3.047 ( 7.104 0.000 0.000) 7.104 3.157 ( 0.742 0.000 0.000) 0.742 3.244 ( -0.252 0.000 0.000) 0.252 3.376 ( -1.115 0.000 0.000) 1.115 3.393 ( 1.676 0.000 0.000) 1.676 3.409 ( -4.372 0.000 0.000) 4.372 3.471 ( -3.691 0.000 0.000) 3.691 3.623 ( 6.400 0.000 0.000) 6.400 3.641 ( 1.732 0.000 0.000) 1.732 3.672 ( 2.384 0.000 0.000) 2.384 3.688 ( -1.615 0.000 0.000) 1.615 3.796 ( -6.256 0.000 0.000) 6.256 3.830 ( -2.616 0.000 0.000) 2.616 3.875 ( 2.391 0.000 0.000) 2.391 3.912 ( 1.743 0.000 0.000) 1.743 4.036 ( 0.092 0.000 0.000) 0.092 4.064 ( -2.254 0.000 0.000) 2.254 4.103 ( 6.772 0.000 0.000) 6.772 4.257 ( 0.545 0.000 0.000) 0.545 4.339 ( -1.246 0.000 0.000) 1.246 4.471 ( -0.951 0.000 0.000) 0.951 4.532 ( 0.173 0.000 0.000) 0.173 4.702 ( 0.188 0.000 0.000) 0.188 4.809 ( -5.164 0.000 0.000) 5.164 4.894 ( 5.929 0.000 0.000) 5.929 4.897 ( -7.042 0.000 0.000) 7.042 5.061 ( -4.623 0.000 0.000) 4.623 5.185 ( -4.667 0.000 0.000) 4.667 5.236 ( -10.122 0.000 0.000) 10.122 5.278 ( -1.249 0.000 0.000) 1.249 5.357 ( -1.883 0.000 0.000) 1.883 5.470 ( 0.822 0.000 0.000) 0.822 5.477 ( -7.729 0.000 0.000) 7.729 5.678 ( -6.572 0.000 0.000) 6.572 5.684 ( 1.730 0.000 0.000) 1.730 5.794 ( 2.121 0.000 0.000) 2.121 5.808 ( 3.902 0.000 0.000) 3.902 5.829 ( -9.345 0.000 0.000) 9.345 5.838 ( -2.713 0.000 0.000) 2.713 5.898 ( -0.943 0.000 0.000) 0.943 6.117 ( 1.347 0.000 0.000) 1.347 6.150 ( -2.012 0.000 0.000) 2.012 6.321 ( -0.159 0.000 0.000) 0.159 6.362 ( 2.649 0.000 0.000) 2.649 6.419 ( 0.484 0.000 0.000) 0.484 6.420 ( 0.780 0.000 0.000) 0.780 6.501 ( -2.603 0.000 0.000) 2.603 6.515 ( 1.507 0.000 0.000) 1.507 6.603 ( -6.047 0.000 0.000) 6.047 6.647 ( 5.549 0.000 0.000) 5.549 6.701 ( 2.015 0.000 0.000) 2.015 6.708 ( 1.229 0.000 0.000) 1.229 6.801 ( -6.464 0.000 0.000) 6.464 6.870 ( 1.377 0.000 0.000) 1.377 6.898 ( 3.536 0.000 0.000) 3.536 6.914 ( 1.044 0.000 0.000) 1.044 7.023 ( 6.588 0.000 0.000) 6.588 7.081 ( -2.006 0.000 0.000) 2.006 7.140 ( 3.445 0.000 0.000) 3.445 7.237 ( 11.567 0.000 0.000) 11.567 7.454 ( -11.310 0.000 0.000) 11.310 7.495 ( 0.380 0.000 0.000) 0.380 7.514 ( 8.643 0.000 0.000) 8.643 7.550 ( -4.831 0.000 0.000) 4.831 7.701 ( 0.198 0.000 0.000) 0.198 7.720 ( 0.895 0.000 0.000) 0.895 7.793 ( 1.367 0.000 0.000) 1.367 7.839 ( -3.427 0.000 0.000) 3.427 7.948 ( -1.970 0.000 0.000) 1.970 7.989 ( 3.671 0.000 0.000) 3.671 8.013 ( 6.807 0.000 0.000) 6.807 8.335 ( -6.152 0.000 0.000) 6.152 8.657 ( -3.865 0.000 0.000) 3.865 8.867 ( 10.129 0.000 0.000) 10.129 9.061 ( 8.764 0.000 0.000) 8.764 9.171 ( 4.514 0.000 0.000) 4.514 9.501 ( 5.438 0.000 0.000) 5.438 9.543 ( -5.166 0.000 0.000) 5.166 9.548 ( 1.884 0.000 0.000) 1.884 9.704 ( 7.363 0.000 0.000) 7.363 10.014 ( 3.362 0.000 0.000) 3.362 10.059 ( -3.743 0.000 0.000) 3.743 10.239 ( 0.104 0.000 0.000) 0.104 10.409 ( -5.341 0.000 0.000) 5.341 10.515 ( -1.474 0.000 0.000) 1.474 10.752 ( -2.949 0.000 0.000) 2.949 10.827 ( -0.855 0.000 0.000) 0.855 10.829 ( -0.997 0.000 0.000) 0.997 11.119 ( -2.230 0.000 0.000) 2.230 11.580 ( -6.192 0.000 0.000) 6.192 11.789 ( 0.115 0.000 0.000) 0.115 11.864 ( -0.729 0.000 0.000) 0.729 12.222 ( 0.112 0.000 0.000) 0.112 12.242 ( -0.035 0.000 0.000) 0.035 16.546 ( -0.431 0.000 0.000) 0.431 16.601 ( 0.352 0.000 0.000) 0.352 16.700 ( -7.960 0.000 0.000) 7.960 16.729 ( -9.135 0.000 0.000) 9.135 16.839 ( -5.380 0.000 0.000) 5.380 16.982 ( -5.724 0.000 0.000) 5.724 17.111 ( 10.355 0.000 0.000) 10.355 17.268 ( 6.742 0.000 0.000) 6.742 17.289 ( 6.832 0.000 0.000) 6.832 17.347 ( -6.209 0.000 0.000) 6.209 17.366 ( 1.928 0.000 0.000) 1.928 17.389 ( -2.517 0.000 0.000) 2.517 17.452 ( -5.863 0.000 0.000) 5.863 17.608 ( -0.581 0.000 0.000) 0.581 17.631 ( 1.649 0.000 0.000) 1.649 17.890 ( -4.239 0.000 0.000) 4.239 18.337 ( 3.924 0.000 0.000) 3.924 18.421 ( 2.434 0.000 0.000) 2.434 19.080 ( 2.744 0.000 0.000) 2.744 19.137 ( 1.817 0.000 0.000) 1.817 19.654 ( 0.352 0.000 0.000) 0.352 19.788 ( 1.370 0.000 0.000) 1.370 19.793 ( 1.780 0.000 0.000) 1.780 21.098 ( -10.250 0.000 0.000) 10.250 107.910 ( -0.272 0.000 0.000) 0.272 107.921 ( -0.439 0.000 0.000) 0.439 107.937 ( 0.410 0.000 0.000) 0.410 107.941 ( 0.447 0.000 0.000) 0.447 107.964 ( 0.454 0.000 0.000) 0.454 107.993 ( 0.117 0.000 0.000) 0.117 107.995 ( 0.217 0.000 0.000) 0.217 108.013 ( 0.190 0.000 0.000) 0.190 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( 19.600 0.000 0.000) 19.600 1.187 ( 26.373 0.000 0.000) 26.373 1.326 ( 6.620 0.000 0.000) 6.620 1.533 ( -8.607 0.000 0.000) 8.607 1.734 ( 31.695 0.000 0.000) 31.695 1.833 ( -2.627 0.000 0.000) 2.627 2.009 ( 1.352 0.000 0.000) 1.352 2.045 ( -4.857 0.000 0.000) 4.857 2.318 ( -11.379 0.000 0.000) 11.379 2.409 ( -4.926 0.000 0.000) 4.926 2.418 ( 12.446 0.000 0.000) 12.446 2.441 ( 12.793 0.000 0.000) 12.793 2.701 ( -11.244 0.000 0.000) 11.244 2.728 ( 20.707 0.000 0.000) 20.707 2.775 ( 4.053 0.000 0.000) 4.053 2.932 ( 0.731 0.000 0.000) 0.731 3.011 ( 0.175 0.000 0.000) 0.175 3.073 ( 8.916 0.000 0.000) 8.916 3.141 ( -2.893 0.000 0.000) 2.893 3.211 ( 0.641 0.000 0.000) 0.641 3.250 ( 0.377 0.000 0.000) 0.377 3.282 ( -6.346 0.000 0.000) 6.346 3.289 ( 0.440 0.000 0.000) 0.440 3.410 ( -0.702 0.000 0.000) 0.702 3.467 ( 5.342 0.000 0.000) 5.342 3.533 ( -3.340 0.000 0.000) 3.340 3.681 ( -1.896 0.000 0.000) 1.896 3.681 ( 0.366 0.000 0.000) 0.366 3.744 ( 4.185 0.000 0.000) 4.185 3.870 ( 5.382 0.000 0.000) 5.382 3.879 ( 7.918 0.000 0.000) 7.918 3.886 ( 1.813 0.000 0.000) 1.813 3.985 ( 3.533 0.000 0.000) 3.533 4.055 ( 3.312 0.000 0.000) 3.312 4.071 ( 2.214 0.000 0.000) 2.214 4.228 ( 4.144 0.000 0.000) 4.144 4.229 ( -3.205 0.000 0.000) 3.205 4.291 ( -3.342 0.000 0.000) 3.342 4.424 ( -3.615 0.000 0.000) 3.615 4.578 ( 3.915 0.000 0.000) 3.915 4.661 ( -8.173 0.000 0.000) 8.173 4.698 ( -1.505 0.000 0.000) 1.505 4.745 ( -5.748 0.000 0.000) 5.748 4.938 ( -6.744 0.000 0.000) 6.744 4.938 ( -7.076 0.000 0.000) 7.076 5.021 ( -4.984 0.000 0.000) 4.984 5.055 ( -7.211 0.000 0.000) 7.211 5.192 ( -7.541 0.000 0.000) 7.541 5.328 ( -5.355 0.000 0.000) 5.355 5.339 ( -0.445 0.000 0.000) 0.445 5.465 ( -0.575 0.000 0.000) 0.575 5.541 ( -5.432 0.000 0.000) 5.432 5.573 ( -13.677 0.000 0.000) 13.677 5.771 ( 4.131 0.000 0.000) 4.131 5.780 ( -2.474 0.000 0.000) 2.474 5.816 ( 2.078 0.000 0.000) 2.078 5.878 ( -0.640 0.000 0.000) 0.640 5.882 ( 2.656 0.000 0.000) 2.656 6.100 ( -1.704 0.000 0.000) 1.704 6.103 ( -1.832 0.000 0.000) 1.832 6.242 ( -6.148 0.000 0.000) 6.148 6.401 ( -0.303 0.000 0.000) 0.303 6.427 ( -10.321 0.000 0.000) 10.321 6.441 ( 1.161 0.000 0.000) 1.161 6.450 ( -2.262 0.000 0.000) 2.262 6.468 ( 3.710 0.000 0.000) 3.710 6.577 ( 3.975 0.000 0.000) 3.975 6.604 ( -10.933 0.000 0.000) 10.933 6.727 ( -1.514 0.000 0.000) 1.514 6.801 ( 6.727 0.000 0.000) 6.727 6.836 ( 10.221 0.000 0.000) 10.221 6.914 ( 2.787 0.000 0.000) 2.787 6.937 ( 2.722 0.000 0.000) 2.722 6.985 ( 4.192 0.000 0.000) 4.192 6.990 ( -6.907 0.000 0.000) 6.907 7.151 ( 5.720 0.000 0.000) 5.720 7.244 ( -6.632 0.000 0.000) 6.632 7.245 ( 6.784 0.000 0.000) 6.784 7.485 ( -2.529 0.000 0.000) 2.529 7.489 ( -1.214 0.000 0.000) 1.214 7.516 ( 13.171 0.000 0.000) 13.171 7.699 ( 5.521 0.000 0.000) 5.521 7.708 ( 0.551 0.000 0.000) 0.551 7.741 ( -4.934 0.000 0.000) 4.934 7.763 ( 4.785 0.000 0.000) 4.785 7.838 ( 3.037 0.000 0.000) 3.037 7.909 ( -0.887 0.000 0.000) 0.887 8.068 ( -4.845 0.000 0.000) 4.845 8.114 ( 8.288 0.000 0.000) 8.288 8.258 ( 1.373 0.000 0.000) 1.373 8.588 ( -2.131 0.000 0.000) 2.131 8.959 ( 1.038 0.000 0.000) 1.038 9.277 ( 5.434 0.000 0.000) 5.434 9.290 ( 6.257 0.000 0.000) 6.257 9.376 ( -8.972 0.000 0.000) 8.972 9.618 ( 3.244 0.000 0.000) 3.244 9.678 ( 10.030 0.000 0.000) 10.030 9.909 ( 11.399 0.000 0.000) 11.399 9.982 ( 0.797 0.000 0.000) 0.797 10.102 ( 4.635 0.000 0.000) 4.635 10.243 ( 0.188 0.000 0.000) 0.188 10.322 ( -1.810 0.000 0.000) 1.810 10.454 ( -4.162 0.000 0.000) 4.162 10.675 ( -4.457 0.000 0.000) 4.457 10.784 ( -3.487 0.000 0.000) 3.487 10.808 ( -0.699 0.000 0.000) 0.699 11.053 ( -4.053 0.000 0.000) 4.053 11.388 ( -12.109 0.000 0.000) 12.109 11.793 ( 0.260 0.000 0.000) 0.260 11.845 ( -0.966 0.000 0.000) 0.966 12.225 ( 0.182 0.000 0.000) 0.182 12.241 ( -0.103 0.000 0.000) 0.103 16.518 ( -2.412 0.000 0.000) 2.412 16.554 ( -6.869 0.000 0.000) 6.869 16.570 ( -4.318 0.000 0.000) 4.318 16.579 ( -3.372 0.000 0.000) 3.372 16.761 ( -0.469 0.000 0.000) 0.469 16.912 ( -0.727 0.000 0.000) 0.727 17.166 ( -10.045 0.000 0.000) 10.045 17.237 ( -8.734 0.000 0.000) 8.734 17.284 ( -5.131 0.000 0.000) 5.131 17.323 ( 9.229 0.000 0.000) 9.229 17.363 ( -2.645 0.000 0.000) 2.645 17.445 ( 5.887 0.000 0.000) 5.887 17.454 ( 4.908 0.000 0.000) 4.908 17.612 ( 0.952 0.000 0.000) 0.952 17.655 ( 0.784 0.000 0.000) 0.784 17.779 ( -5.637 0.000 0.000) 5.637 18.442 ( 5.454 0.000 0.000) 5.454 18.490 ( 3.873 0.000 0.000) 3.873 19.157 ( 4.159 0.000 0.000) 4.159 19.180 ( 2.070 0.000 0.000) 2.070 19.685 ( 2.754 0.000 0.000) 2.754 19.813 ( 0.717 0.000 0.000) 0.717 19.838 ( 2.606 0.000 0.000) 2.606 20.810 ( -16.444 0.000 0.000) 16.444 107.905 ( -0.198 0.000 0.000) 0.198 107.913 ( -0.361 0.000 0.000) 0.361 107.946 ( 0.411 0.000 0.000) 0.411 107.949 ( 0.352 0.000 0.000) 0.352 107.976 ( 0.607 0.000 0.000) 0.607 107.996 ( 0.120 0.000 0.000) 0.120 108.001 ( 0.424 0.000 0.000) 0.424 108.017 ( 0.234 0.000 0.000) 0.234 ======================= Grid point 3 (4/60) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( 6.861 0.000 0.000) 6.861 1.392 ( -5.000 0.000 0.000) 5.000 1.611 ( 19.991 0.000 0.000) 19.991 1.674 ( 18.690 0.000 0.000) 18.690 1.816 ( 1.341 0.000 0.000) 1.341 2.001 ( -1.990 0.000 0.000) 1.990 2.040 ( 5.397 0.000 0.000) 5.397 2.093 ( -9.618 0.000 0.000) 9.618 2.228 ( 14.607 0.000 0.000) 14.607 2.319 ( -3.787 0.000 0.000) 3.787 2.486 ( -8.481 0.000 0.000) 8.481 2.588 ( -17.117 0.000 0.000) 17.117 2.619 ( 3.673 0.000 0.000) 3.673 2.678 ( 11.421 0.000 0.000) 11.421 2.983 ( -1.758 0.000 0.000) 1.758 3.013 ( -11.590 0.000 0.000) 11.590 3.019 ( 0.621 0.000 0.000) 0.621 3.036 ( 3.787 0.000 0.000) 3.787 3.112 ( 0.043 0.000 0.000) 0.043 3.188 ( 11.173 0.000 0.000) 11.173 3.244 ( -1.195 0.000 0.000) 1.195 3.368 ( 2.548 0.000 0.000) 2.548 3.410 ( 10.693 0.000 0.000) 10.693 3.504 ( 5.587 0.000 0.000) 5.587 3.551 ( 10.341 0.000 0.000) 10.341 3.620 ( -3.309 0.000 0.000) 3.309 3.632 ( 7.313 0.000 0.000) 7.313 3.780 ( 12.800 0.000 0.000) 12.800 3.823 ( 3.136 0.000 0.000) 3.136 3.913 ( -0.145 0.000 0.000) 0.145 3.936 ( -1.099 0.000 0.000) 1.099 4.063 ( -6.192 0.000 0.000) 6.192 4.063 ( 5.573 0.000 0.000) 5.573 4.097 ( 7.930 0.000 0.000) 7.930 4.147 ( -2.914 0.000 0.000) 2.914 4.188 ( -4.055 0.000 0.000) 4.055 4.203 ( 9.205 0.000 0.000) 9.205 4.215 ( -3.460 0.000 0.000) 3.460 4.329 ( -5.464 0.000 0.000) 5.464 4.535 ( -3.279 0.000 0.000) 3.279 4.593 ( -8.873 0.000 0.000) 8.873 4.654 ( 3.272 0.000 0.000) 3.272 4.685 ( -13.099 0.000 0.000) 13.099 4.742 ( 5.097 0.000 0.000) 5.097 4.799 ( -6.033 0.000 0.000) 6.033 4.919 ( -4.638 0.000 0.000) 4.638 4.970 ( -3.126 0.000 0.000) 3.126 5.026 ( -7.418 0.000 0.000) 7.418 5.211 ( -9.916 0.000 0.000) 9.916 5.225 ( -5.177 0.000 0.000) 5.177 5.438 ( 2.689 0.000 0.000) 2.689 5.489 ( 0.882 0.000 0.000) 0.882 5.518 ( 4.727 0.000 0.000) 4.727 5.744 ( -0.857 0.000 0.000) 0.857 5.769 ( -1.400 0.000 0.000) 1.400 5.859 ( -6.828 0.000 0.000) 6.828 5.875 ( 0.322 0.000 0.000) 0.322 5.900 ( 1.428 0.000 0.000) 1.428 5.997 ( -7.260 0.000 0.000) 7.260 6.135 ( 6.204 0.000 0.000) 6.204 6.176 ( -13.314 0.000 0.000) 13.314 6.187 ( 0.955 0.000 0.000) 0.955 6.286 ( -6.847 0.000 0.000) 6.847 6.398 ( -3.095 0.000 0.000) 3.095 6.469 ( 1.649 0.000 0.000) 1.649 6.493 ( -0.326 0.000 0.000) 0.326 6.515 ( 0.452 0.000 0.000) 0.452 6.637 ( -5.979 0.000 0.000) 5.979 6.682 ( 5.295 0.000 0.000) 5.295 6.846 ( -5.261 0.000 0.000) 5.261 6.926 ( 5.429 0.000 0.000) 5.429 6.985 ( 3.348 0.000 0.000) 3.348 7.000 ( 4.381 0.000 0.000) 4.381 7.016 ( 3.691 0.000 0.000) 3.691 7.054 ( 2.113 0.000 0.000) 2.113 7.147 ( -4.181 0.000 0.000) 4.181 7.322 ( 11.140 0.000 0.000) 11.140 7.391 ( 5.579 0.000 0.000) 5.579 7.429 ( -2.614 0.000 0.000) 2.614 7.455 ( -0.431 0.000 0.000) 0.431 7.645 ( -4.461 0.000 0.000) 4.461 7.698 ( 2.438 0.000 0.000) 2.438 7.734 ( 0.011 0.000 0.000) 0.011 7.749 ( 4.534 0.000 0.000) 4.534 7.828 ( 0.076 0.000 0.000) 0.076 7.868 ( -12.102 0.000 0.000) 12.102 7.927 ( 5.376 0.000 0.000) 5.376 7.969 ( 4.855 0.000 0.000) 4.855 8.308 ( 8.495 0.000 0.000) 8.495 8.333 ( 3.786 0.000 0.000) 3.786 8.594 ( 4.036 0.000 0.000) 4.036 8.974 ( 0.775 0.000 0.000) 0.775 9.175 ( -13.887 0.000 0.000) 13.887 9.193 ( -7.955 0.000 0.000) 7.955 9.399 ( 6.252 0.000 0.000) 6.252 9.621 ( -2.396 0.000 0.000) 2.396 9.901 ( 10.898 0.000 0.000) 10.898 10.153 ( 11.603 0.000 0.000) 11.603 10.189 ( 3.357 0.000 0.000) 3.357 10.205 ( 12.884 0.000 0.000) 12.884 10.245 ( -0.009 0.000 0.000) 0.009 10.318 ( 0.520 0.000 0.000) 0.520 10.401 ( 3.853 0.000 0.000) 3.853 10.557 ( -7.010 0.000 0.000) 7.010 10.679 ( -6.553 0.000 0.000) 6.553 10.811 ( 1.217 0.000 0.000) 1.217 10.958 ( -4.816 0.000 0.000) 4.816 11.081 ( -17.167 0.000 0.000) 17.167 11.800 ( 0.426 0.000 0.000) 0.426 11.826 ( -0.826 0.000 0.000) 0.826 12.230 ( 0.206 0.000 0.000) 0.206 12.238 ( -0.167 0.000 0.000) 0.167 16.461 ( -2.350 0.000 0.000) 2.350 16.462 ( -1.740 0.000 0.000) 1.740 16.490 ( -3.932 0.000 0.000) 3.932 16.512 ( -1.744 0.000 0.000) 1.744 16.811 ( 4.236 0.000 0.000) 4.236 16.933 ( 1.439 0.000 0.000) 1.439 16.966 ( -7.452 0.000 0.000) 7.452 17.042 ( -8.771 0.000 0.000) 8.771 17.176 ( -4.149 0.000 0.000) 4.149 17.273 ( -5.354 0.000 0.000) 5.354 17.495 ( 6.852 0.000 0.000) 6.852 17.537 ( 2.855 0.000 0.000) 2.855 17.552 ( 4.123 0.000 0.000) 4.123 17.630 ( 0.312 0.000 0.000) 0.312 17.662 ( -0.321 0.000 0.000) 0.321 17.677 ( -3.917 0.000 0.000) 3.917 18.542 ( 3.776 0.000 0.000) 3.776 18.564 ( 2.738 0.000 0.000) 2.738 19.220 ( 1.813 0.000 0.000) 1.813 19.230 ( 2.395 0.000 0.000) 2.395 19.757 ( 3.317 0.000 0.000) 3.317 19.816 ( -0.302 0.000 0.000) 0.302 19.921 ( 6.305 0.000 0.000) 6.305 20.450 ( -17.168 0.000 0.000) 17.168 107.902 ( -0.050 0.000 0.000) 0.050 107.906 ( -0.248 0.000 0.000) 0.248 107.953 ( 0.254 0.000 0.000) 0.254 107.955 ( 0.185 0.000 0.000) 0.185 107.987 ( 0.469 0.000 0.000) 0.469 107.997 ( -0.019 0.000 0.000) 0.019 108.011 ( 0.469 0.000 0.000) 0.469 108.021 ( 0.062 0.000 0.000) 0.062 ======================= Grid point 4 (5/60) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( -3.796 0.000 0.000) 3.796 1.307 ( 3.796 0.000 0.000) 3.796 1.887 ( -3.968 0.000 0.000) 3.968 1.887 ( 3.968 0.000 0.000) 3.968 1.917 ( -6.309 0.000 0.000) 6.309 1.917 ( 6.309 0.000 0.000) 6.309 2.096 ( -18.437 0.000 0.000) 18.437 2.096 ( 18.437 0.000 0.000) 18.437 2.255 ( -10.593 0.000 0.000) 10.593 2.255 ( 10.593 0.000 0.000) 10.593 2.377 ( -0.914 0.000 0.000) 0.914 2.377 ( 0.914 0.000 0.000) 0.914 2.745 ( -10.076 0.000 0.000) 10.076 2.745 ( 10.076 0.000 0.000) 10.076 2.889 ( -5.987 0.000 0.000) 5.987 2.889 ( 5.987 0.000 0.000) 5.987 3.036 ( -0.920 0.000 0.000) 0.920 3.036 ( 0.920 0.000 0.000) 0.920 3.192 ( -3.911 0.000 0.000) 3.911 3.192 ( 3.911 0.000 0.000) 3.911 3.334 ( -3.067 0.000 0.000) 3.067 3.334 ( 3.067 0.000 0.000) 3.067 3.556 ( -2.587 0.000 0.000) 2.587 3.556 ( 2.587 0.000 0.000) 2.587 3.736 ( -15.241 0.000 0.000) 15.241 3.736 ( 15.241 0.000 0.000) 15.241 3.834 ( -8.157 0.000 0.000) 8.157 3.834 ( 8.157 0.000 0.000) 8.157 3.847 ( -12.121 0.000 0.000) 12.121 3.847 ( 12.121 0.000 0.000) 12.121 3.920 ( -5.315 0.000 0.000) 5.315 3.920 ( 5.315 0.000 0.000) 5.315 4.054 ( -8.717 0.000 0.000) 8.717 4.054 ( 8.717 0.000 0.000) 8.717 4.186 ( -6.761 0.000 0.000) 6.761 4.186 ( 6.761 0.000 0.000) 6.761 4.330 ( -3.479 0.000 0.000) 3.479 4.330 ( 3.479 0.000 0.000) 3.479 4.359 ( -12.476 0.000 0.000) 12.476 4.359 ( 12.476 0.000 0.000) 12.476 4.474 ( -1.298 0.000 0.000) 1.298 4.474 ( 1.298 0.000 0.000) 1.298 4.714 ( -2.310 0.000 0.000) 2.310 4.714 ( 2.310 0.000 0.000) 2.310 4.875 ( -7.055 0.000 0.000) 7.055 4.875 ( 7.055 0.000 0.000) 7.055 4.901 ( -2.435 0.000 0.000) 2.435 4.901 ( 2.435 0.000 0.000) 2.435 5.130 ( -2.341 0.000 0.000) 2.341 5.130 ( 2.341 0.000 0.000) 2.341 5.524 ( -1.213 0.000 0.000) 1.213 5.524 ( 1.213 0.000 0.000) 1.213 5.649 ( -9.023 0.000 0.000) 9.023 5.649 ( 9.023 0.000 0.000) 9.023 5.744 ( -0.749 0.000 0.000) 0.749 5.744 ( 0.749 0.000 0.000) 0.749 5.891 ( -1.083 0.000 0.000) 1.083 5.891 ( 1.083 0.000 0.000) 1.083 5.944 ( -5.385 0.000 0.000) 5.385 5.944 ( 5.385 0.000 0.000) 5.385 6.219 ( -1.615 0.000 0.000) 1.615 6.219 ( 1.615 0.000 0.000) 1.615 6.296 ( -7.098 0.000 0.000) 7.098 6.296 ( 7.098 0.000 0.000) 7.098 6.503 ( -0.960 0.000 0.000) 0.960 6.503 ( 0.960 0.000 0.000) 0.960 6.523 ( -4.013 0.000 0.000) 4.013 6.523 ( 4.013 0.000 0.000) 4.013 6.768 ( -3.100 0.000 0.000) 3.100 6.768 ( 3.100 0.000 0.000) 3.100 7.029 ( -0.755 0.000 0.000) 0.755 7.029 ( 0.755 0.000 0.000) 0.755 7.047 ( -4.176 0.000 0.000) 4.176 7.047 ( 4.176 0.000 0.000) 4.176 7.066 ( -0.969 0.000 0.000) 0.969 7.066 ( 0.969 0.000 0.000) 0.969 7.400 ( -0.190 0.000 0.000) 0.190 7.400 ( 0.190 0.000 0.000) 0.190 7.537 ( -6.463 0.000 0.000) 6.463 7.537 ( 6.463 0.000 0.000) 6.463 7.602 ( -12.550 0.000 0.000) 12.550 7.602 ( 12.550 0.000 0.000) 12.550 7.723 ( -0.835 0.000 0.000) 0.835 7.723 ( 0.835 0.000 0.000) 0.835 7.813 ( -1.532 0.000 0.000) 1.532 7.813 ( 1.532 0.000 0.000) 1.532 8.011 ( -1.370 0.000 0.000) 1.370 8.011 ( 1.370 0.000 0.000) 1.370 8.384 ( -0.581 0.000 0.000) 0.581 8.384 ( 0.581 0.000 0.000) 0.581 8.812 ( -15.126 0.000 0.000) 15.126 8.812 ( 15.126 0.000 0.000) 15.126 9.061 ( -4.238 0.000 0.000) 4.238 9.061 ( 4.238 0.000 0.000) 4.238 9.530 ( -5.849 0.000 0.000) 5.849 9.530 ( 5.849 0.000 0.000) 5.849 10.118 ( -9.499 0.000 0.000) 9.499 10.118 ( 9.499 0.000 0.000) 9.499 10.236 ( -1.147 0.000 0.000) 1.147 10.236 ( 1.147 0.000 0.000) 1.147 10.379 ( -9.789 0.000 0.000) 9.789 10.379 ( 9.789 0.000 0.000) 9.789 10.519 ( -8.529 0.000 0.000) 8.529 10.519 ( 8.529 0.000 0.000) 8.529 10.687 ( -19.777 0.000 0.000) 19.777 10.687 ( 19.777 0.000 0.000) 19.777 10.864 ( -3.789 0.000 0.000) 3.789 10.864 ( 3.789 0.000 0.000) 3.789 11.811 ( -0.611 0.000 0.000) 0.611 11.811 ( 0.611 0.000 0.000) 0.611 12.234 ( -0.199 0.000 0.000) 0.199 12.234 ( 0.199 0.000 0.000) 0.199 16.440 ( -0.625 0.000 0.000) 0.625 16.440 ( 0.625 0.000 0.000) 0.625 16.473 ( -1.997 0.000 0.000) 1.997 16.473 ( 1.997 0.000 0.000) 1.997 16.907 ( -4.068 0.000 0.000) 4.068 16.907 ( 4.068 0.000 0.000) 4.068 16.912 ( -2.609 0.000 0.000) 2.609 16.912 ( 2.609 0.000 0.000) 2.609 17.169 ( -3.585 0.000 0.000) 3.585 17.169 ( 3.585 0.000 0.000) 3.585 17.578 ( -0.267 0.000 0.000) 0.267 17.578 ( 0.267 0.000 0.000) 0.267 17.614 ( -1.846 0.000 0.000) 1.846 17.614 ( 1.846 0.000 0.000) 1.846 17.637 ( -1.167 0.000 0.000) 1.167 17.637 ( 1.167 0.000 0.000) 1.167 18.588 ( -0.530 0.000 0.000) 0.530 18.588 ( 0.530 0.000 0.000) 0.530 19.249 ( -0.549 0.000 0.000) 0.549 19.249 ( 0.549 0.000 0.000) 0.549 19.802 ( -1.165 0.000 0.000) 1.165 19.802 ( 1.165 0.000 0.000) 1.165 20.126 ( -13.194 0.000 0.000) 13.194 20.126 ( 13.194 0.000 0.000) 13.194 107.903 ( -0.107 0.000 0.000) 0.107 107.903 ( 0.107 0.000 0.000) 0.107 107.956 ( -0.033 0.000 0.000) 0.033 107.956 ( 0.033 0.000 0.000) 0.033 107.995 ( -0.241 0.000 0.000) 0.241 107.995 ( 0.241 0.000 0.000) 0.241 108.019 ( -0.245 0.000 0.000) 0.245 108.019 ( 0.245 0.000 0.000) 0.245 ======================= Grid point 9 (6/60) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.363 ( 0.000 20.366 0.000) 20.366 0.450 ( 0.000 23.261 0.000) 23.261 1.034 ( 0.000 51.826 0.000) 51.826 1.401 ( 0.000 10.620 0.000) 10.620 1.799 ( 0.000 -5.135 0.000) 5.135 1.832 ( 0.000 -7.780 0.000) 7.780 1.932 ( 0.000 0.461 0.000) 0.461 2.007 ( 0.000 -14.161 0.000) 14.161 2.053 ( 0.000 0.187 0.000) 0.187 2.209 ( 0.000 12.062 0.000) 12.062 2.378 ( 0.000 2.473 0.000) 2.473 2.433 ( 0.000 -9.526 0.000) 9.526 2.457 ( 0.000 -0.110 0.000) 0.110 2.881 ( 0.000 5.614 0.000) 5.614 2.938 ( 0.000 -1.154 0.000) 1.154 2.977 ( 0.000 0.038 0.000) 0.038 2.988 ( 0.000 1.699 0.000) 1.699 3.083 ( 0.000 4.290 0.000) 4.290 3.116 ( 0.000 4.894 0.000) 4.894 3.179 ( 0.000 4.483 0.000) 4.483 3.252 ( 0.000 0.203 0.000) 0.203 3.266 ( 0.000 -8.896 0.000) 8.896 3.300 ( 0.000 -6.396 0.000) 6.396 3.464 ( 0.000 -5.443 0.000) 5.443 3.530 ( 0.000 4.165 0.000) 4.165 3.604 ( 0.000 -0.893 0.000) 0.893 3.639 ( 0.000 2.494 0.000) 2.494 3.664 ( 0.000 7.730 0.000) 7.730 3.748 ( 0.000 1.546 0.000) 1.546 3.778 ( 0.000 -2.877 0.000) 2.877 3.859 ( 0.000 -3.080 0.000) 3.080 3.894 ( 0.000 2.446 0.000) 2.446 4.002 ( 0.000 -0.021 0.000) 0.021 4.003 ( 0.000 -1.902 0.000) 1.902 4.174 ( 0.000 -1.032 0.000) 1.032 4.215 ( 0.000 5.634 0.000) 5.634 4.248 ( 0.000 0.785 0.000) 0.785 4.269 ( 0.000 -7.077 0.000) 7.077 4.427 ( 0.000 -1.523 0.000) 1.523 4.652 ( 0.000 8.423 0.000) 8.423 4.723 ( 0.000 1.596 0.000) 1.596 4.856 ( 0.000 -3.705 0.000) 3.705 4.955 ( 0.000 11.322 0.000) 11.322 5.095 ( 0.000 -1.216 0.000) 1.216 5.168 ( 0.000 -3.839 0.000) 3.839 5.219 ( 0.000 -2.611 0.000) 2.611 5.295 ( 0.000 0.634 0.000) 0.634 5.357 ( 0.000 0.197 0.000) 0.197 5.412 ( 0.000 1.751 0.000) 1.751 5.440 ( 0.000 0.179 0.000) 0.179 5.610 ( 0.000 3.323 0.000) 3.323 5.653 ( 0.000 -0.689 0.000) 0.689 5.764 ( 0.000 1.798 0.000) 1.798 5.780 ( 0.000 5.044 0.000) 5.044 5.833 ( 0.000 -4.465 0.000) 4.465 5.896 ( 0.000 9.094 0.000) 9.094 5.922 ( 0.000 -3.782 0.000) 3.782 5.975 ( 0.000 2.088 0.000) 2.088 6.128 ( 0.000 -3.960 0.000) 3.960 6.242 ( 0.000 -4.464 0.000) 4.464 6.278 ( 0.000 -7.023 0.000) 7.023 6.334 ( 0.000 0.396 0.000) 0.396 6.368 ( 0.000 -4.578 0.000) 4.578 6.421 ( 0.000 -4.518 0.000) 4.518 6.435 ( 0.000 2.265 0.000) 2.265 6.534 ( 0.000 -1.720 0.000) 1.720 6.635 ( 0.000 3.803 0.000) 3.803 6.663 ( 0.000 6.732 0.000) 6.732 6.685 ( 0.000 1.183 0.000) 1.183 6.731 ( 0.000 -5.721 0.000) 5.721 6.738 ( 0.000 1.159 0.000) 1.159 6.870 ( 0.000 2.287 0.000) 2.287 6.910 ( 0.000 4.892 0.000) 4.892 6.923 ( 0.000 5.583 0.000) 5.583 6.985 ( 0.000 6.891 0.000) 6.891 7.060 ( 0.000 -3.346 0.000) 3.346 7.073 ( 0.000 -0.893 0.000) 0.893 7.302 ( 0.000 2.523 0.000) 2.523 7.392 ( 0.000 12.375 0.000) 12.375 7.454 ( 0.000 3.653 0.000) 3.653 7.534 ( 0.000 -2.262 0.000) 2.262 7.649 ( 0.000 -3.713 0.000) 3.713 7.755 ( 0.000 -1.350 0.000) 1.350 7.760 ( 0.000 0.322 0.000) 0.322 7.776 ( 0.000 0.840 0.000) 0.840 7.906 ( 0.000 5.753 0.000) 5.753 7.934 ( 0.000 -1.779 0.000) 1.779 7.959 ( 0.000 1.776 0.000) 1.776 8.011 ( 0.000 3.434 0.000) 3.434 8.127 ( 0.000 -2.400 0.000) 2.400 8.431 ( 0.000 -1.089 0.000) 1.089 8.653 ( 0.000 -2.630 0.000) 2.630 8.857 ( 0.000 -13.128 0.000) 13.128 8.933 ( 0.000 -16.584 0.000) 16.584 9.103 ( 0.000 -30.513 0.000) 30.513 9.379 ( 0.000 -14.268 0.000) 14.268 9.457 ( 0.000 -6.498 0.000) 6.498 9.547 ( 0.000 -2.578 0.000) 2.578 9.928 ( 0.000 -10.998 0.000) 10.998 10.270 ( 0.000 10.569 0.000) 10.569 10.477 ( 0.000 2.972 0.000) 2.972 10.485 ( 0.000 13.454 0.000) 13.454 10.514 ( 0.000 -0.129 0.000) 0.129 10.714 ( 0.000 -3.330 0.000) 3.330 10.877 ( 0.000 4.886 0.000) 4.886 10.883 ( 0.000 -1.913 0.000) 1.913 11.082 ( 0.000 18.587 0.000) 18.587 11.290 ( 0.000 11.533 0.000) 11.533 11.763 ( 0.000 -2.113 0.000) 2.113 11.893 ( 0.000 3.194 0.000) 3.194 12.227 ( 0.000 -0.324 0.000) 0.324 12.789 ( 0.000 -6.087 0.000) 6.087 16.625 ( 0.000 2.956 0.000) 2.956 16.634 ( 0.000 1.275 0.000) 1.275 16.800 ( 0.000 -1.361 0.000) 1.361 16.860 ( 0.000 -0.481 0.000) 0.481 16.912 ( 0.000 0.463 0.000) 0.463 16.934 ( 0.000 2.108 0.000) 2.108 17.121 ( 0.000 -3.144 0.000) 3.144 17.128 ( 0.000 -0.997 0.000) 0.997 17.333 ( 0.000 -0.096 0.000) 0.096 17.414 ( 0.000 0.048 0.000) 0.048 17.421 ( 0.000 0.039 0.000) 0.039 17.477 ( 0.000 -4.584 0.000) 4.584 17.635 ( 0.000 3.883 0.000) 3.883 17.675 ( 0.000 3.659 0.000) 3.659 17.944 ( 0.000 1.730 0.000) 1.730 18.235 ( 0.000 -4.584 0.000) 4.584 18.440 ( 0.000 4.837 0.000) 4.837 18.459 ( 0.000 4.568 0.000) 4.568 18.706 ( 0.000 -0.831 0.000) 0.831 19.074 ( 0.000 -4.369 0.000) 4.369 19.659 ( 0.000 0.448 0.000) 0.448 19.758 ( 0.000 -1.283 0.000) 1.283 19.811 ( 0.000 4.214 0.000) 4.214 20.460 ( 0.000 -6.353 0.000) 6.353 107.932 ( 0.000 0.038 0.000) 0.038 107.932 ( 0.000 0.125 0.000) 0.125 107.933 ( 0.000 0.246 0.000) 0.246 107.945 ( 0.000 -0.244 0.000) 0.244 107.962 ( 0.000 0.223 0.000) 0.223 107.969 ( 0.000 0.028 0.000) 0.028 107.991 ( 0.000 -0.103 0.000) 0.103 108.008 ( 0.000 -0.247 0.000) 0.247 ======================= Grid point 10 (7/60) ======================= q-point: ( 0.12 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.696 ( 23.888 9.514 0.000) 25.713 0.827 ( 21.023 18.392 0.000) 27.933 1.247 ( 16.885 29.557 0.000) 34.040 1.475 ( 10.486 18.431 0.000) 21.205 1.782 ( -5.569 2.446 0.000) 6.083 1.873 ( -3.532 -3.591 0.000) 5.037 1.895 ( 6.139 -5.717 0.000) 8.389 2.062 ( -0.818 -3.737 0.000) 3.826 2.155 ( 14.928 -8.540 0.000) 17.198 2.252 ( 3.692 6.359 0.000) 7.353 2.270 ( -1.725 0.530 0.000) 1.805 2.474 ( 4.809 -5.797 0.000) 7.532 2.603 ( 5.066 2.769 0.000) 5.774 2.817 ( -16.327 12.391 0.000) 20.497 2.879 ( 1.835 0.122 0.000) 1.839 2.952 ( -4.238 2.091 0.000) 4.725 2.955 ( 0.393 -0.009 0.000) 0.393 3.064 ( -1.711 5.185 0.000) 5.460 3.068 ( 7.841 1.185 0.000) 7.930 3.156 ( -6.348 -12.388 0.000) 13.919 3.187 ( -0.447 3.581 0.000) 3.609 3.265 ( -3.320 0.718 0.000) 3.397 3.355 ( 1.616 -4.598 0.000) 4.874 3.437 ( 1.756 -1.692 0.000) 2.439 3.551 ( 1.432 5.917 0.000) 6.087 3.617 ( 1.149 -3.725 0.000) 3.898 3.656 ( -0.222 1.824 0.000) 1.838 3.691 ( 1.112 0.208 0.000) 1.131 3.723 ( 4.709 4.355 0.000) 6.414 3.781 ( -5.774 3.001 0.000) 6.507 3.837 ( -2.267 1.970 0.000) 3.003 3.892 ( 4.738 1.229 0.000) 4.894 4.012 ( 0.499 -1.994 0.000) 2.056 4.047 ( -2.815 5.651 0.000) 6.313 4.100 ( 3.821 -0.029 0.000) 3.821 4.139 ( -4.682 5.538 0.000) 7.252 4.253 ( -1.573 -7.585 0.000) 7.746 4.270 ( 0.616 0.506 0.000) 0.797 4.449 ( 0.934 -1.341 0.000) 1.635 4.604 ( -1.664 7.148 0.000) 7.339 4.690 ( -2.251 -0.168 0.000) 2.257 4.784 ( -5.647 -3.265 0.000) 6.523 4.964 ( -10.587 3.323 0.000) 11.097 4.970 ( 0.368 5.746 0.000) 5.758 5.053 ( -3.647 -0.327 0.000) 3.662 5.143 ( -6.433 -4.164 0.000) 7.663 5.221 ( -10.271 -1.206 0.000) 10.342 5.302 ( -1.066 1.586 0.000) 1.911 5.383 ( -1.333 2.276 0.000) 2.638 5.450 ( 0.122 -1.127 0.000) 1.134 5.521 ( -7.367 4.083 0.000) 8.422 5.619 ( -3.119 -0.232 0.000) 3.127 5.762 ( -0.117 2.860 0.000) 2.862 5.808 ( -4.664 -1.779 0.000) 4.992 5.819 ( 1.061 3.191 0.000) 3.363 5.856 ( -1.565 -1.881 0.000) 2.447 5.915 ( 3.856 9.628 0.000) 10.371 5.938 ( -6.471 4.412 0.000) 7.832 6.118 ( -1.277 -2.750 0.000) 3.032 6.123 ( -0.631 0.226 0.000) 0.670 6.298 ( -3.957 -2.882 0.000) 4.895 6.347 ( 0.592 -0.911 0.000) 1.087 6.390 ( 4.685 -5.789 0.000) 7.447 6.415 ( -1.240 -3.668 0.000) 3.872 6.461 ( 2.394 2.994 0.000) 3.834 6.569 ( -2.443 4.038 0.000) 4.719 6.590 ( 3.756 -2.086 0.000) 4.297 6.630 ( -4.456 2.502 0.000) 5.111 6.682 ( 4.202 0.552 0.000) 4.238 6.739 ( -1.523 -4.671 0.000) 4.913 6.808 ( 4.096 6.583 0.000) 7.753 6.896 ( -1.290 5.747 0.000) 5.890 6.922 ( 5.132 0.004 0.000) 5.132 6.997 ( 0.666 5.604 0.000) 5.644 7.060 ( -0.730 -1.501 0.000) 1.669 7.074 ( 8.422 -4.574 0.000) 9.583 7.146 ( 6.735 6.920 0.000) 9.657 7.323 ( 2.786 7.622 0.000) 8.115 7.431 ( -9.608 -1.977 0.000) 9.809 7.437 ( 1.737 0.813 0.000) 1.918 7.519 ( 4.698 -0.415 0.000) 4.716 7.542 ( -4.882 -0.500 0.000) 4.908 7.681 ( 0.251 -1.961 0.000) 1.976 7.751 ( -0.018 2.926 0.000) 2.926 7.861 ( 0.161 6.388 0.000) 6.390 7.883 ( -0.034 0.695 0.000) 0.696 7.909 ( -1.695 -0.441 0.000) 1.752 7.968 ( 3.259 -2.033 0.000) 3.841 8.068 ( 3.874 3.924 0.000) 5.514 8.348 ( -4.680 1.270 0.000) 4.850 8.443 ( 9.489 -14.772 0.000) 17.557 8.770 ( 1.230 -12.520 0.000) 12.580 8.938 ( 12.817 -9.759 0.000) 16.110 8.948 ( 2.430 -18.285 0.000) 18.446 9.191 ( 7.214 -26.247 0.000) 27.220 9.334 ( -5.274 -19.594 0.000) 20.292 9.509 ( 6.110 0.257 0.000) 6.115 9.644 ( 8.424 -3.445 0.000) 9.101 9.905 ( -1.553 -8.595 0.000) 8.734 10.203 ( -6.283 1.586 0.000) 6.481 10.464 ( 0.042 16.255 0.000) 16.255 10.465 ( -0.526 6.963 0.000) 6.983 10.535 ( 1.447 4.976 0.000) 5.182 10.688 ( -2.314 -3.223 0.000) 3.968 10.833 ( -3.200 2.418 0.000) 4.011 11.066 ( -1.496 18.294 0.000) 18.355 11.125 ( 10.201 -18.592 0.000) 21.207 11.278 ( -1.219 11.997 0.000) 12.059 11.766 ( 0.304 -1.959 0.000) 1.982 11.881 ( -1.045 2.742 0.000) 2.934 12.220 ( -0.509 -0.899 0.000) 1.033 12.558 ( -13.603 7.866 0.000) 15.714 16.584 ( -3.144 1.971 0.000) 3.711 16.612 ( -1.561 1.069 0.000) 1.892 16.688 ( -6.696 -0.602 0.000) 6.723 16.729 ( -8.712 -0.313 0.000) 8.717 16.853 ( -4.318 1.746 0.000) 4.657 17.060 ( 3.378 2.074 0.000) 3.963 17.145 ( 2.525 0.923 0.000) 2.688 17.222 ( 4.972 -4.243 0.000) 6.536 17.331 ( -6.237 0.420 0.000) 6.251 17.373 ( 2.738 0.249 0.000) 2.750 17.376 ( -4.320 -0.227 0.000) 4.326 17.428 ( -3.178 -1.969 0.000) 3.739 17.626 ( -16.639 22.521 0.000) 28.000 17.643 ( 0.199 3.494 0.000) 3.499 17.670 ( -0.022 3.074 0.000) 3.075 17.902 ( -4.749 1.156 0.000) 4.888 18.380 ( 3.653 4.702 0.000) 5.954 18.461 ( 1.959 4.322 0.000) 4.745 18.992 ( 6.469 -7.805 0.000) 10.137 19.091 ( 1.476 -4.766 0.000) 4.989 19.661 ( 0.505 0.661 0.000) 0.831 19.779 ( 1.777 -1.314 0.000) 2.210 19.828 ( 1.316 4.169 0.000) 4.372 20.765 ( 6.081 -22.788 0.000) 23.585 107.919 ( -0.713 0.543 0.000) 0.896 107.924 ( -0.408 0.268 0.000) 0.489 107.941 ( 0.382 0.063 0.000) 0.387 107.942 ( 0.199 0.307 0.000) 0.366 107.963 ( 0.417 -0.010 0.000) 0.417 107.986 ( 0.647 -0.540 0.000) 0.843 107.992 ( 0.140 -0.077 0.000) 0.160 108.010 ( 0.200 -0.235 0.000) 0.309 ======================= Grid point 11 (8/60) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( 15.896 21.181 0.000) 26.483 1.208 ( 23.669 3.177 0.000) 23.881 1.436 ( 5.851 7.896 0.000) 9.827 1.654 ( -5.542 10.737 0.000) 12.083 1.800 ( -1.757 -1.354 0.000) 2.218 1.937 ( 18.633 9.788 0.000) 21.047 2.010 ( -3.012 -4.016 0.000) 5.020 2.016 ( 10.060 10.745 0.000) 14.720 2.322 ( 2.044 -0.791 0.000) 2.191 2.375 ( 9.216 -2.824 0.000) 9.639 2.495 ( -6.399 9.106 0.000) 11.130 2.527 ( -1.052 7.010 0.000) 7.089 2.545 ( 9.731 -7.602 0.000) 12.348 2.689 ( 2.204 -5.046 0.000) 5.507 2.851 ( -3.089 -10.779 0.000) 11.213 2.902 ( 2.292 5.147 0.000) 5.634 3.031 ( 5.610 -0.799 0.000) 5.667 3.047 ( -0.704 4.485 0.000) 4.540 3.071 ( 0.937 -6.497 0.000) 6.564 3.152 ( -3.779 0.531 0.000) 3.816 3.225 ( 2.613 -0.931 0.000) 2.774 3.268 ( 10.114 0.759 0.000) 10.143 3.355 ( -1.305 -2.962 0.000) 3.237 3.509 ( 4.542 3.892 0.000) 5.982 3.565 ( -1.043 11.059 0.000) 11.108 3.619 ( -0.511 -3.433 0.000) 3.471 3.629 ( -7.469 10.574 0.000) 12.945 3.670 ( 0.353 -3.188 0.000) 3.208 3.739 ( 3.146 -0.288 0.000) 3.159 3.829 ( 4.477 -1.732 0.000) 4.800 3.850 ( 3.625 0.741 0.000) 3.699 3.951 ( 2.932 4.062 0.000) 5.010 4.030 ( 2.327 -2.325 0.000) 3.290 4.044 ( 2.446 3.629 0.000) 4.376 4.107 ( 0.969 2.414 0.000) 2.602 4.175 ( -2.285 -5.127 0.000) 5.613 4.238 ( 3.368 -4.331 0.000) 5.486 4.254 ( -1.815 1.564 0.000) 2.396 4.429 ( -3.017 0.492 0.000) 3.057 4.603 ( -0.523 1.731 0.000) 1.808 4.644 ( -2.633 -4.697 0.000) 5.385 4.679 ( -1.679 -0.035 0.000) 1.680 4.763 ( -8.610 2.028 0.000) 8.845 4.919 ( -8.094 -0.607 0.000) 8.117 4.964 ( -4.415 0.727 0.000) 4.474 4.986 ( -7.918 -5.959 0.000) 9.910 4.987 ( -8.466 -1.145 0.000) 8.543 5.240 ( -5.895 2.240 0.000) 6.307 5.354 ( -7.098 2.752 0.000) 7.613 5.361 ( -1.128 1.116 0.000) 1.587 5.442 ( -0.652 -1.715 0.000) 1.834 5.529 ( -4.561 0.801 0.000) 4.630 5.602 ( -12.121 3.660 0.000) 12.662 5.783 ( 0.053 -0.742 0.000) 0.744 5.801 ( -2.567 0.856 0.000) 2.706 5.810 ( 0.062 2.589 0.000) 2.589 5.894 ( -0.817 1.290 0.000) 1.527 6.019 ( 2.200 6.498 0.000) 6.861 6.078 ( -1.605 -2.284 0.000) 2.792 6.095 ( 1.870 2.945 0.000) 3.489 6.178 ( -7.461 -4.037 0.000) 8.483 6.339 ( -1.511 -2.646 0.000) 3.047 6.381 ( -0.423 -6.425 0.000) 6.439 6.498 ( -7.227 6.800 0.000) 9.924 6.523 ( 1.970 3.660 0.000) 4.157 6.527 ( 6.323 -2.380 0.000) 6.756 6.553 ( 1.361 5.737 0.000) 5.897 6.606 ( -9.774 1.070 0.000) 9.832 6.703 ( 4.637 -2.614 0.000) 5.324 6.833 ( 7.395 3.430 0.000) 8.151 6.890 ( 5.202 6.963 0.000) 8.692 6.924 ( 2.938 2.745 0.000) 4.021 6.946 ( -5.983 -2.209 0.000) 6.378 7.020 ( 3.683 2.508 0.000) 4.456 7.054 ( 1.192 3.941 0.000) 4.117 7.194 ( 5.156 -0.417 0.000) 5.173 7.239 ( -6.168 -0.570 0.000) 6.195 7.297 ( 5.434 9.257 0.000) 10.734 7.430 ( 2.846 -2.094 0.000) 3.534 7.482 ( -2.422 -0.040 0.000) 2.423 7.511 ( 9.687 -0.059 0.000) 9.687 7.613 ( 2.117 -7.510 0.000) 7.803 7.724 ( 3.559 1.823 0.000) 3.998 7.761 ( 0.815 4.405 0.000) 4.479 7.849 ( 0.014 1.881 0.000) 1.881 7.878 ( 1.092 4.140 0.000) 4.282 7.897 ( -0.410 0.670 0.000) 0.785 8.072 ( -5.401 0.630 0.000) 5.438 8.080 ( 7.516 -3.520 0.000) 8.300 8.297 ( 0.811 3.929 0.000) 4.012 8.517 ( 0.862 -6.853 0.000) 6.907 8.754 ( -0.670 -19.668 0.000) 19.679 9.025 ( 4.072 -21.515 0.000) 21.897 9.189 ( -7.575 -17.629 0.000) 19.187 9.200 ( 6.453 -8.441 0.000) 10.625 9.333 ( 4.417 -24.493 0.000) 24.888 9.686 ( 10.146 0.830 0.000) 10.180 9.861 ( 11.613 -3.177 0.000) 12.040 9.920 ( 5.243 -3.106 0.000) 6.093 10.085 ( -1.842 -2.583 0.000) 3.172 10.428 ( -3.455 1.888 0.000) 3.937 10.486 ( 1.715 17.780 0.000) 17.863 10.575 ( 1.669 17.173 0.000) 17.254 10.623 ( -3.484 -4.527 0.000) 5.712 10.736 ( -6.105 -0.390 0.000) 6.118 11.029 ( -1.665 17.498 0.000) 17.577 11.174 ( -4.643 -15.608 0.000) 16.284 11.237 ( -2.841 13.009 0.000) 13.316 11.774 ( 0.481 -1.599 0.000) 1.670 11.854 ( -1.436 1.616 0.000) 2.162 12.210 ( -0.362 -1.986 0.000) 2.018 12.351 ( -6.579 5.964 0.000) 8.880 16.523 ( -2.896 0.504 0.000) 2.939 16.536 ( -5.363 -1.166 0.000) 5.488 16.568 ( -4.345 -0.190 0.000) 4.349 16.578 ( -5.376 -0.583 0.000) 5.407 16.791 ( -0.868 2.991 0.000) 3.114 16.970 ( -5.187 4.420 0.000) 6.815 17.185 ( -7.396 -4.668 0.000) 8.746 17.186 ( -9.287 1.018 0.000) 9.342 17.276 ( -0.467 -0.291 0.000) 0.551 17.320 ( 6.141 -0.091 0.000) 6.141 17.387 ( -1.166 1.837 0.000) 2.176 17.457 ( 4.015 0.061 0.000) 4.015 17.528 ( 1.608 7.990 0.000) 8.150 17.644 ( 0.322 3.123 0.000) 3.140 17.681 ( 0.835 2.486 0.000) 2.622 17.787 ( -5.527 0.707 0.000) 5.572 18.482 ( 5.284 4.219 0.000) 6.762 18.519 ( 3.386 3.228 0.000) 4.678 19.101 ( 4.635 -5.680 0.000) 7.331 19.128 ( 1.853 -5.386 0.000) 5.696 19.693 ( 2.712 0.824 0.000) 2.835 19.825 ( 2.621 -1.302 0.000) 2.927 19.848 ( 0.362 3.756 0.000) 3.774 20.671 ( -11.468 -12.913 0.000) 17.270 107.910 ( -0.283 0.459 0.000) 0.540 107.916 ( -0.340 0.329 0.000) 0.473 107.947 ( 0.265 0.031 0.000) 0.267 107.948 ( 0.278 -0.097 0.000) 0.295 107.975 ( 0.629 -0.036 0.000) 0.630 107.996 ( 0.159 -0.006 0.000) 0.159 107.998 ( 0.549 -0.296 0.000) 0.624 108.015 ( 0.246 -0.210 0.000) 0.323 ======================= Grid point 12 (9/60) ======================= q-point: ( 0.38 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( 5.147 19.144 0.000) 19.824 1.517 ( -0.046 10.424 0.000) 10.424 1.658 ( 16.044 3.071 0.000) 16.336 1.702 ( 15.009 4.015 0.000) 15.537 1.833 ( 4.697 2.909 0.000) 5.525 1.980 ( 0.896 -4.412 0.000) 4.502 2.020 ( -0.143 -0.113 0.000) 0.182 2.156 ( -7.149 4.109 0.000) 8.246 2.234 ( -7.751 2.781 0.000) 8.235 2.408 ( -12.140 -3.718 0.000) 12.697 2.514 ( 0.128 6.853 0.000) 6.854 2.536 ( 13.328 13.188 0.000) 18.750 2.653 ( 6.176 -4.942 0.000) 7.910 2.717 ( 2.995 1.950 0.000) 3.574 2.914 ( -5.499 -2.305 0.000) 5.963 2.973 ( 8.399 -7.431 0.000) 11.214 3.041 ( -1.450 5.404 0.000) 5.595 3.090 ( 2.868 4.166 0.000) 5.058 3.165 ( 5.982 -2.644 0.000) 6.540 3.246 ( 9.543 -10.949 0.000) 14.524 3.274 ( -6.614 6.397 0.000) 9.201 3.277 ( 0.037 3.028 0.000) 3.028 3.365 ( -1.143 3.578 0.000) 3.756 3.516 ( 3.631 1.896 0.000) 4.096 3.549 ( 1.702 -2.373 0.000) 2.920 3.658 ( 1.149 -2.799 0.000) 3.026 3.675 ( 8.745 8.217 0.000) 11.999 3.773 ( 13.147 0.048 0.000) 13.147 3.803 ( 2.399 -1.732 0.000) 2.959 3.873 ( 0.257 -2.144 0.000) 2.159 3.916 ( -1.813 -1.675 0.000) 2.468 4.029 ( -3.782 -1.928 0.000) 4.245 4.070 ( -6.195 0.775 0.000) 6.243 4.091 ( 5.816 -1.009 0.000) 5.903 4.121 ( 3.796 -4.140 0.000) 5.617 4.135 ( 7.261 1.316 0.000) 7.380 4.230 ( 0.180 3.026 0.000) 3.031 4.286 ( -0.472 0.414 0.000) 0.628 4.346 ( -3.892 1.240 0.000) 4.085 4.536 ( -4.357 -0.192 0.000) 4.362 4.547 ( -6.980 -5.002 0.000) 8.588 4.671 ( -12.546 -0.115 0.000) 12.547 4.679 ( 1.779 0.221 0.000) 1.792 4.735 ( 3.424 0.461 0.000) 3.455 4.853 ( -6.242 4.039 0.000) 7.435 4.868 ( -0.917 -3.989 0.000) 4.093 4.879 ( -4.040 -5.393 0.000) 6.739 5.091 ( -7.021 3.078 0.000) 7.666 5.229 ( -5.649 0.435 0.000) 5.666 5.244 ( -10.054 2.698 0.000) 10.410 5.408 ( 1.781 -2.629 0.000) 3.175 5.476 ( 0.276 -0.216 0.000) 0.351 5.539 ( 3.951 2.621 0.000) 4.741 5.719 ( -5.192 -4.996 0.000) 7.205 5.761 ( -1.310 1.233 0.000) 1.799 5.819 ( -1.592 1.642 0.000) 2.287 5.863 ( -1.777 -1.538 0.000) 2.350 5.981 ( -2.537 1.456 0.000) 2.925 6.000 ( -5.185 0.987 0.000) 5.279 6.119 ( 2.043 -4.169 0.000) 4.642 6.123 ( -7.020 1.363 0.000) 7.151 6.279 ( -5.340 1.443 0.000) 5.531 6.356 ( 0.070 11.108 0.000) 11.108 6.380 ( -0.118 -6.894 0.000) 6.895 6.435 ( -3.158 0.616 0.000) 3.217 6.540 ( -0.888 6.279 0.000) 6.342 6.581 ( 2.365 5.938 0.000) 6.392 6.671 ( 2.810 0.987 0.000) 2.978 6.744 ( 1.141 5.145 0.000) 5.270 6.827 ( -3.472 -1.650 0.000) 3.844 6.924 ( 3.537 2.360 0.000) 4.252 7.001 ( 3.226 2.489 0.000) 4.074 7.018 ( 3.646 2.285 0.000) 4.303 7.075 ( -0.118 1.471 0.000) 1.475 7.089 ( 3.506 4.005 0.000) 5.322 7.157 ( -2.373 0.925 0.000) 2.547 7.345 ( 9.377 0.728 0.000) 9.406 7.368 ( 1.157 -1.906 0.000) 2.230 7.422 ( -2.968 -0.728 0.000) 3.056 7.481 ( 4.138 6.806 0.000) 7.965 7.611 ( -2.126 -1.641 0.000) 2.686 7.726 ( 7.650 -0.290 0.000) 7.655 7.756 ( 0.624 1.564 0.000) 1.684 7.781 ( 1.450 4.201 0.000) 4.444 7.861 ( -8.045 -0.922 0.000) 8.098 7.896 ( -2.282 4.938 0.000) 5.440 7.910 ( 2.192 -0.210 0.000) 2.202 7.927 ( 1.932 -2.445 0.000) 3.116 8.262 ( 8.428 -4.980 0.000) 9.789 8.339 ( 2.095 0.746 0.000) 2.224 8.557 ( 4.491 -3.706 0.000) 5.822 8.766 ( 1.819 -19.214 0.000) 19.300 9.005 ( -6.514 -18.369 0.000) 19.490 9.106 ( -12.584 -7.210 0.000) 14.503 9.149 ( 4.641 -20.402 0.000) 20.923 9.348 ( -2.470 -23.467 0.000) 23.597 9.910 ( 10.930 0.998 0.000) 10.975 10.105 ( 11.257 -2.775 0.000) 11.594 10.128 ( 10.651 -2.579 0.000) 10.959 10.209 ( 11.355 -0.933 0.000) 11.393 10.334 ( -2.491 -0.122 0.000) 2.494 10.503 ( -6.316 -0.973 0.000) 6.391 10.521 ( 0.135 20.626 0.000) 20.627 10.590 ( -6.349 -4.251 0.000) 7.641 10.617 ( 0.173 15.454 0.000) 15.455 10.973 ( -13.861 -9.483 0.000) 16.795 11.016 ( 0.897 16.494 0.000) 16.518 11.160 ( -4.296 14.365 0.000) 14.994 11.786 ( 0.662 -1.144 0.000) 1.322 11.825 ( -1.260 0.401 0.000) 1.323 12.208 ( 0.207 -2.498 0.000) 2.507 12.259 ( -2.764 0.978 0.000) 2.932 16.456 ( -1.609 -0.528 0.000) 1.693 16.463 ( -2.453 0.246 0.000) 2.465 16.482 ( -3.547 -0.725 0.000) 3.620 16.509 ( -1.786 -0.376 0.000) 1.825 16.812 ( 2.486 0.361 0.000) 2.512 16.889 ( -3.034 -1.602 0.000) 3.431 16.999 ( -7.236 0.189 0.000) 7.238 17.009 ( -8.233 -2.987 0.000) 8.758 17.236 ( -0.876 5.836 0.000) 5.901 17.331 ( -3.671 4.939 0.000) 6.154 17.471 ( 5.852 -1.581 0.000) 6.062 17.521 ( 1.992 -1.205 0.000) 2.329 17.592 ( 3.582 3.256 0.000) 4.840 17.654 ( 0.282 2.306 0.000) 2.323 17.692 ( -0.172 2.657 0.000) 2.662 17.693 ( -3.240 1.452 0.000) 3.550 18.577 ( 3.459 3.714 0.000) 5.075 18.587 ( 2.728 2.644 0.000) 3.799 19.166 ( 1.812 -5.568 0.000) 5.855 19.178 ( 2.400 -5.388 0.000) 5.898 19.763 ( 3.356 0.693 0.000) 3.427 19.841 ( -0.911 2.643 0.000) 2.796 19.905 ( 5.903 -1.559 0.000) 6.106 20.381 ( -14.861 -6.789 0.000) 16.338 107.906 ( -0.067 0.412 0.000) 0.417 107.910 ( -0.233 0.369 0.000) 0.437 107.952 ( 0.161 -0.189 0.000) 0.249 107.953 ( 0.137 -0.235 0.000) 0.272 107.987 ( 0.518 0.033 0.000) 0.519 107.998 ( 0.008 0.068 0.000) 0.068 108.009 ( 0.497 -0.188 0.000) 0.532 108.019 ( 0.071 -0.187 0.000) 0.200 ======================= Grid point 13 (10/60) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( -1.686 16.192 0.000) 16.280 1.489 ( 1.686 16.192 0.000) 16.280 1.918 ( -3.468 1.114 0.000) 3.642 1.918 ( 3.468 1.114 0.000) 3.642 1.957 ( -3.033 4.727 0.000) 5.617 1.957 ( 3.033 4.727 0.000) 5.617 2.064 ( -3.996 -8.261 0.000) 9.176 2.064 ( 3.996 -8.261 0.000) 9.176 2.105 ( -7.440 0.213 0.000) 7.443 2.105 ( 7.440 0.213 0.000) 7.443 2.585 ( -5.711 12.022 0.000) 13.309 2.585 ( 5.711 12.022 0.000) 13.309 2.795 ( -5.475 -6.854 0.000) 8.772 2.795 ( 5.475 -6.854 0.000) 8.772 2.888 ( -11.645 13.276 0.000) 17.660 2.888 ( 11.645 13.276 0.000) 17.660 3.089 ( -2.241 0.954 0.000) 2.436 3.089 ( 2.241 0.954 0.000) 2.436 3.218 ( -2.225 4.180 0.000) 4.735 3.218 ( 2.225 4.180 0.000) 4.735 3.271 ( -2.523 -5.846 0.000) 6.367 3.271 ( 2.523 -5.846 0.000) 6.367 3.549 ( -6.247 -4.280 0.000) 7.573 3.549 ( 6.247 -4.280 0.000) 7.573 3.598 ( -8.654 -7.137 0.000) 11.217 3.598 ( 8.654 -7.137 0.000) 11.217 3.838 ( -0.840 0.089 0.000) 0.845 3.838 ( 0.840 0.089 0.000) 0.845 3.882 ( -8.470 2.562 0.000) 8.849 3.882 ( 8.470 2.562 0.000) 8.849 3.922 ( -7.208 1.946 0.000) 7.467 3.922 ( 7.208 1.946 0.000) 7.467 4.052 ( -10.018 -1.695 0.000) 10.160 4.052 ( 10.018 -1.695 0.000) 10.160 4.211 ( -2.950 1.368 0.000) 3.252 4.211 ( 2.950 1.368 0.000) 3.252 4.317 ( -2.730 -1.197 0.000) 2.980 4.317 ( 2.730 -1.197 0.000) 2.980 4.352 ( -11.435 -0.884 0.000) 11.469 4.352 ( 11.435 -0.884 0.000) 11.469 4.473 ( -1.942 -0.103 0.000) 1.945 4.473 ( 1.942 -0.103 0.000) 1.945 4.754 ( -3.527 3.344 0.000) 4.861 4.754 ( 3.527 3.344 0.000) 4.861 4.792 ( -3.828 -5.306 0.000) 6.543 4.792 ( 3.828 -5.306 0.000) 6.543 4.955 ( -6.191 2.315 0.000) 6.609 4.955 ( 6.191 2.315 0.000) 6.609 5.137 ( -1.181 1.004 0.000) 1.550 5.137 ( 1.181 1.004 0.000) 1.550 5.496 ( -2.916 -3.231 0.000) 4.353 5.496 ( 2.917 -3.231 0.000) 4.353 5.598 ( -2.513 -2.574 0.000) 3.597 5.598 ( 2.513 -2.574 0.000) 3.597 5.761 ( -2.334 1.180 0.000) 2.615 5.761 ( 2.334 1.180 0.000) 2.615 5.908 ( -8.142 0.557 0.000) 8.161 5.908 ( 8.142 0.557 0.000) 8.161 5.954 ( -0.067 2.498 0.000) 2.499 5.954 ( 0.067 2.498 0.000) 2.499 6.178 ( -3.501 -1.351 0.000) 3.753 6.178 ( 3.501 -1.351 0.000) 3.753 6.375 ( -0.201 -4.237 0.000) 4.242 6.375 ( 0.201 -4.237 0.000) 4.242 6.489 ( -4.417 9.376 0.000) 10.365 6.489 ( 4.417 9.376 0.000) 10.365 6.633 ( -3.034 6.367 0.000) 7.053 6.633 ( 3.034 6.367 0.000) 7.053 6.788 ( -1.336 2.373 0.000) 2.723 6.788 ( 1.336 2.373 0.000) 2.723 7.013 ( -4.522 -0.313 0.000) 4.533 7.013 ( 4.522 -0.313 0.000) 4.533 7.046 ( -0.339 1.293 0.000) 1.337 7.046 ( 0.339 1.293 0.000) 1.337 7.135 ( -0.810 4.003 0.000) 4.084 7.135 ( 0.810 4.003 0.000) 4.084 7.379 ( -0.923 -2.080 0.000) 2.276 7.379 ( 0.923 -2.080 0.000) 2.276 7.529 ( -6.051 0.793 0.000) 6.103 7.529 ( 6.051 0.793 0.000) 6.103 7.627 ( -10.615 3.426 0.000) 11.154 7.627 ( 10.615 3.426 0.000) 11.154 7.770 ( -0.349 3.630 0.000) 3.647 7.770 ( 0.349 3.630 0.000) 3.647 7.852 ( -2.968 2.621 0.000) 3.960 7.852 ( 2.968 2.621 0.000) 3.960 7.955 ( -1.038 -4.054 0.000) 4.185 7.955 ( 1.038 -4.054 0.000) 4.185 8.359 ( -0.905 -2.911 0.000) 3.048 8.359 ( 0.905 -2.911 0.000) 3.048 8.741 ( -9.996 -8.445 0.000) 13.085 8.741 ( 9.996 -8.445 0.000) 13.085 8.900 ( -0.740 -13.599 0.000) 13.619 8.900 ( 0.740 -13.599 0.000) 13.619 9.259 ( -5.322 -22.577 0.000) 23.196 9.259 ( 5.322 -22.577 0.000) 23.196 10.127 ( -9.421 0.982 0.000) 9.472 10.127 ( 9.421 0.982 0.000) 9.472 10.297 ( -2.680 -0.350 0.000) 2.702 10.297 ( 2.680 -0.350 0.000) 2.702 10.391 ( -3.850 -2.123 0.000) 4.397 10.391 ( 3.850 -2.123 0.000) 4.397 10.589 ( -0.417 15.227 0.000) 15.233 10.589 ( 0.417 15.227 0.000) 15.233 10.630 ( -16.722 -4.874 0.000) 17.418 10.630 ( 16.722 -4.874 0.000) 17.418 11.070 ( -3.920 15.511 0.000) 15.999 11.070 ( 3.920 15.511 0.000) 15.999 11.803 ( -0.927 -0.524 0.000) 1.064 11.803 ( 0.927 -0.524 0.000) 1.064 12.221 ( -1.080 -1.730 0.000) 2.040 12.221 ( 1.080 -1.730 0.000) 2.040 16.438 ( -0.291 -0.145 0.000) 0.325 16.438 ( 0.291 -0.145 0.000) 0.325 16.469 ( -1.919 -0.330 0.000) 1.948 16.469 ( 1.919 -0.330 0.000) 1.948 16.868 ( -0.120 -2.756 0.000) 2.759 16.868 ( 0.120 -2.756 0.000) 2.759 16.896 ( -1.232 -1.403 0.000) 1.867 16.896 ( 1.232 -1.403 0.000) 1.867 17.258 ( -2.758 7.355 0.000) 7.855 17.258 ( 2.758 7.355 0.000) 7.855 17.539 ( -0.667 -2.194 0.000) 2.294 17.539 ( 0.667 -2.194 0.000) 2.294 17.650 ( -0.762 1.479 0.000) 1.664 17.650 ( 0.762 1.479 0.000) 1.664 17.667 ( -1.571 3.389 0.000) 3.735 17.667 ( 1.571 3.389 0.000) 3.735 18.616 ( -0.196 3.015 0.000) 3.022 18.616 ( 0.196 3.015 0.000) 3.022 19.195 ( -0.608 -5.482 0.000) 5.516 19.195 ( 0.608 -5.482 0.000) 5.516 19.814 ( -1.669 1.342 0.000) 2.141 19.814 ( 1.669 1.342 0.000) 2.141 20.094 ( -11.934 -3.280 0.000) 12.377 20.094 ( 11.934 -3.280 0.000) 12.377 107.907 ( -0.097 0.394 0.000) 0.406 107.907 ( 0.097 0.394 0.000) 0.406 107.954 ( -0.017 -0.280 0.000) 0.281 107.954 ( 0.017 -0.280 0.000) 0.281 107.995 ( -0.257 0.088 0.000) 0.272 107.995 ( 0.257 0.088 0.000) 0.272 108.017 ( -0.243 -0.174 0.000) 0.299 108.017 ( 0.243 -0.174 0.000) 0.299 ======================= Grid point 18 (11/60) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( 0.000 22.951 0.000) 22.951 0.872 ( 0.000 21.018 0.000) 21.018 1.506 ( 0.000 2.471 0.000) 2.471 1.588 ( 0.000 -16.082 0.000) 16.082 1.589 ( 0.000 -16.781 0.000) 16.781 1.714 ( 0.000 -3.798 0.000) 3.798 1.924 ( 0.000 -1.007 0.000) 1.007 1.988 ( 0.000 34.972 0.000) 34.972 2.012 ( 0.000 -5.810 0.000) 5.810 2.351 ( 0.000 2.105 0.000) 2.105 2.445 ( 0.000 -0.906 0.000) 0.906 2.492 ( 0.000 9.454 0.000) 9.454 2.566 ( 0.000 19.959 0.000) 19.959 2.918 ( 0.000 -0.711 0.000) 0.711 2.940 ( 0.000 -2.002 0.000) 2.002 2.956 ( 0.000 -5.385 0.000) 5.385 2.999 ( 0.000 3.910 0.000) 3.910 3.023 ( 0.000 -14.036 0.000) 14.036 3.141 ( 0.000 -2.294 0.000) 2.294 3.174 ( 0.000 4.636 0.000) 4.636 3.190 ( 0.000 -5.244 0.000) 5.244 3.305 ( 0.000 6.499 0.000) 6.499 3.318 ( 0.000 6.969 0.000) 6.969 3.348 ( 0.000 -5.219 0.000) 5.219 3.571 ( 0.000 -2.630 0.000) 2.630 3.628 ( 0.000 5.663 0.000) 5.663 3.640 ( 0.000 -5.527 0.000) 5.527 3.751 ( 0.000 2.921 0.000) 2.921 3.760 ( 0.000 1.550 0.000) 1.550 3.803 ( 0.000 3.647 0.000) 3.647 3.862 ( 0.000 2.183 0.000) 2.183 3.928 ( 0.000 0.646 0.000) 0.646 3.958 ( 0.000 -2.503 0.000) 2.503 3.984 ( 0.000 -2.003 0.000) 2.003 4.145 ( 0.000 -1.913 0.000) 1.913 4.149 ( 0.000 -4.772 0.000) 4.772 4.249 ( 0.000 0.169 0.000) 0.169 4.277 ( 0.000 0.959 0.000) 0.959 4.480 ( 0.000 6.137 0.000) 6.137 4.717 ( 0.000 -3.075 0.000) 3.075 4.815 ( 0.000 0.627 0.000) 0.627 4.817 ( 0.000 8.754 0.000) 8.754 5.058 ( 0.000 -7.653 0.000) 7.653 5.101 ( 0.000 2.323 0.000) 2.323 5.128 ( 0.000 -6.577 0.000) 6.577 5.129 ( 0.000 5.738 0.000) 5.738 5.298 ( 0.000 -0.040 0.000) 0.040 5.354 ( 0.000 -0.928 0.000) 0.928 5.447 ( 0.000 0.685 0.000) 0.685 5.454 ( 0.000 1.883 0.000) 1.883 5.675 ( 0.000 2.203 0.000) 2.203 5.679 ( 0.000 2.807 0.000) 2.807 5.759 ( 0.000 -2.731 0.000) 2.731 5.813 ( 0.000 3.277 0.000) 3.277 5.833 ( 0.000 -4.985 0.000) 4.985 5.921 ( 0.000 5.066 0.000) 5.066 6.000 ( 0.000 0.887 0.000) 0.887 6.056 ( 0.000 7.380 0.000) 7.380 6.078 ( 0.000 2.653 0.000) 2.653 6.166 ( 0.000 -5.533 0.000) 5.533 6.176 ( 0.000 -3.111 0.000) 3.111 6.202 ( 0.000 -6.874 0.000) 6.874 6.335 ( 0.000 0.161 0.000) 0.161 6.411 ( 0.000 1.224 0.000) 1.224 6.473 ( 0.000 0.416 0.000) 0.416 6.491 ( 0.000 -2.515 0.000) 2.515 6.644 ( 0.000 -3.035 0.000) 3.035 6.690 ( 0.000 -1.297 0.000) 1.297 6.703 ( 0.000 2.687 0.000) 2.687 6.736 ( 0.000 1.357 0.000) 1.357 6.761 ( 0.000 1.690 0.000) 1.690 6.863 ( 0.000 -2.339 0.000) 2.339 7.014 ( 0.000 -0.346 0.000) 0.346 7.036 ( 0.000 5.817 0.000) 5.817 7.045 ( 0.000 4.051 0.000) 4.051 7.081 ( 0.000 1.141 0.000) 1.141 7.148 ( 0.000 12.391 0.000) 12.391 7.401 ( 0.000 8.440 0.000) 8.440 7.481 ( 0.000 -3.336 0.000) 3.336 7.533 ( 0.000 4.231 0.000) 4.231 7.597 ( 0.000 -1.275 0.000) 1.275 7.630 ( 0.000 7.507 0.000) 7.507 7.741 ( 0.000 0.638 0.000) 0.638 7.765 ( 0.000 -1.292 0.000) 1.292 7.808 ( 0.000 4.538 0.000) 4.538 7.925 ( 0.000 3.418 0.000) 3.418 7.999 ( 0.000 1.662 0.000) 1.662 8.021 ( 0.000 6.047 0.000) 6.047 8.067 ( 0.000 1.326 0.000) 1.326 8.068 ( 0.000 -2.948 0.000) 2.948 8.329 ( 0.000 -12.917 0.000) 12.917 8.462 ( 0.000 -21.994 0.000) 21.994 8.602 ( 0.000 -15.304 0.000) 15.304 8.604 ( 0.000 -6.942 0.000) 6.942 8.670 ( 0.000 -7.689 0.000) 7.689 8.934 ( 0.000 -25.604 0.000) 25.604 9.450 ( 0.000 0.960 0.000) 0.960 9.506 ( 0.000 -1.852 0.000) 1.852 9.816 ( 0.000 -0.261 0.000) 0.261 10.147 ( 0.000 -13.810 0.000) 13.810 10.517 ( 0.000 0.340 0.000) 0.340 10.539 ( 0.000 -0.421 0.000) 0.421 10.685 ( 0.000 6.642 0.000) 6.642 10.835 ( 0.000 -2.979 0.000) 2.979 10.893 ( 0.000 17.779 0.000) 17.779 11.052 ( 0.000 12.823 0.000) 12.823 11.329 ( 0.000 2.804 0.000) 2.804 11.414 ( 0.000 -0.682 0.000) 0.682 11.782 ( 0.000 7.261 0.000) 7.261 12.051 ( 0.000 13.784 0.000) 13.784 12.172 ( 0.000 -5.993 0.000) 5.993 12.618 ( 0.000 -11.811 0.000) 11.811 16.669 ( 0.000 2.251 0.000) 2.251 16.696 ( 0.000 4.219 0.000) 4.219 16.764 ( 0.000 -2.326 0.000) 2.326 16.833 ( 0.000 -2.318 0.000) 2.318 16.936 ( 0.000 2.056 0.000) 2.056 16.986 ( 0.000 3.241 0.000) 3.241 17.053 ( 0.000 -3.722 0.000) 3.722 17.099 ( 0.000 -2.122 0.000) 2.122 17.332 ( 0.000 0.167 0.000) 0.167 17.397 ( 0.000 -3.566 0.000) 3.566 17.416 ( 0.000 0.113 0.000) 0.113 17.421 ( 0.000 -0.070 0.000) 0.070 17.710 ( 0.000 3.272 0.000) 3.272 17.731 ( 0.000 2.037 0.000) 2.037 17.991 ( 0.000 3.149 0.000) 3.149 18.145 ( 0.000 -4.677 0.000) 4.677 18.547 ( 0.000 4.510 0.000) 4.510 18.576 ( 0.000 9.152 0.000) 9.152 18.679 ( 0.000 -2.104 0.000) 2.104 18.952 ( 0.000 -8.358 0.000) 8.358 19.672 ( 0.000 0.980 0.000) 0.980 19.728 ( 0.000 -1.768 0.000) 1.768 19.927 ( 0.000 7.886 0.000) 7.886 20.299 ( 0.000 -10.000 0.000) 10.000 107.934 ( 0.000 0.094 0.000) 0.094 107.936 ( 0.000 0.191 0.000) 0.191 107.938 ( 0.000 0.176 0.000) 0.176 107.940 ( 0.000 -0.238 0.000) 0.238 107.966 ( 0.000 0.191 0.000) 0.191 107.969 ( 0.000 -0.005 0.000) 0.005 107.990 ( 0.000 0.060 0.000) 0.060 108.002 ( 0.000 -0.407 0.000) 0.407 ======================= Grid point 19 (12/60) ======================= q-point: ( 0.12 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( 15.407 17.322 0.000) 23.183 1.122 ( 18.021 14.042 0.000) 22.846 1.565 ( 5.362 8.155 0.000) 9.760 1.652 ( 5.351 -15.167 0.000) 16.084 1.662 ( 6.145 -14.254 0.000) 15.522 1.843 ( -3.676 2.237 0.000) 4.303 1.926 ( 18.459 -4.289 0.000) 18.951 2.088 ( 2.750 -1.818 0.000) 3.297 2.109 ( 11.972 28.390 0.000) 30.811 2.219 ( -5.483 0.979 0.000) 5.570 2.484 ( 0.257 7.191 0.000) 7.195 2.569 ( -0.013 19.595 0.000) 19.595 2.571 ( 5.465 -6.417 0.000) 8.429 2.880 ( -5.825 -10.360 0.000) 11.885 2.924 ( -2.403 3.364 0.000) 4.134 2.927 ( -3.072 -3.863 0.000) 4.936 2.974 ( -12.434 5.019 0.000) 13.409 2.990 ( 3.698 -1.510 0.000) 3.995 3.096 ( 7.240 1.427 0.000) 7.379 3.122 ( -2.004 -1.139 0.000) 2.305 3.235 ( 2.551 -6.677 0.000) 7.148 3.245 ( -6.476 -3.017 0.000) 7.144 3.293 ( -1.974 7.376 0.000) 7.636 3.437 ( 6.508 1.862 0.000) 6.769 3.560 ( -0.174 -1.896 0.000) 1.904 3.655 ( 2.397 5.333 0.000) 5.847 3.661 ( 0.121 -1.151 0.000) 1.158 3.741 ( 0.897 4.290 0.000) 4.383 3.775 ( 1.182 1.580 0.000) 1.973 3.863 ( 1.354 -0.276 0.000) 1.382 3.870 ( 0.913 3.648 0.000) 3.761 3.919 ( 3.229 2.140 0.000) 3.874 3.972 ( 0.962 -1.905 0.000) 2.134 4.050 ( 3.952 -4.302 0.000) 5.841 4.102 ( -2.936 -1.456 0.000) 3.277 4.128 ( -1.627 -2.887 0.000) 3.314 4.222 ( -4.224 2.296 0.000) 4.807 4.260 ( 0.379 -0.981 0.000) 1.051 4.471 ( -0.898 4.152 0.000) 4.248 4.673 ( -4.029 -2.791 0.000) 4.901 4.733 ( -6.091 1.438 0.000) 6.259 4.757 ( -4.492 6.073 0.000) 7.554 4.938 ( -9.039 -5.429 0.000) 10.544 5.040 ( -7.304 -6.432 0.000) 9.733 5.054 ( -5.211 3.150 0.000) 6.089 5.087 ( -2.763 3.551 0.000) 4.499 5.201 ( -10.234 -0.611 0.000) 10.252 5.299 ( -2.513 -2.268 0.000) 3.385 5.425 ( -1.498 1.809 0.000) 2.348 5.447 ( -1.234 0.667 0.000) 1.403 5.599 ( -6.685 3.845 0.000) 7.712 5.656 ( -2.601 2.104 0.000) 3.345 5.765 ( -0.073 -2.344 0.000) 2.345 5.800 ( -0.589 -3.511 0.000) 3.560 5.825 ( 0.718 4.236 0.000) 4.297 5.931 ( -2.375 8.449 0.000) 8.776 5.996 ( -5.151 1.987 0.000) 5.520 6.006 ( 0.568 -2.936 0.000) 2.991 6.103 ( -1.938 -3.106 0.000) 3.661 6.137 ( 2.436 4.912 0.000) 5.483 6.216 ( -0.662 -3.319 0.000) 3.385 6.264 ( 1.874 -4.477 0.000) 4.854 6.345 ( 0.984 2.161 0.000) 2.374 6.418 ( 1.280 1.379 0.000) 1.881 6.499 ( 2.204 0.288 0.000) 2.223 6.520 ( 3.205 -3.532 0.000) 4.769 6.655 ( 0.883 -1.147 0.000) 1.447 6.672 ( -2.700 4.607 0.000) 5.340 6.686 ( -0.648 -0.086 0.000) 0.653 6.724 ( 4.990 2.953 0.000) 5.798 6.870 ( 5.088 -1.271 0.000) 5.244 6.905 ( 10.727 -2.274 0.000) 10.966 7.024 ( -0.635 1.126 0.000) 1.292 7.049 ( 1.323 3.332 0.000) 3.584 7.060 ( 0.665 7.371 0.000) 7.401 7.130 ( -1.352 8.952 0.000) 9.054 7.178 ( 4.424 -1.772 0.000) 4.766 7.388 ( -8.358 -2.549 0.000) 8.738 7.448 ( 3.845 8.680 0.000) 9.494 7.475 ( -4.024 -3.068 0.000) 5.060 7.538 ( -4.260 -0.645 0.000) 4.309 7.650 ( 2.082 12.351 0.000) 12.525 7.696 ( 2.694 3.723 0.000) 4.596 7.818 ( 1.077 3.624 0.000) 3.781 7.838 ( 1.674 -1.614 0.000) 2.325 7.931 ( 0.567 1.793 0.000) 1.880 7.938 ( -3.340 -0.487 0.000) 3.375 7.991 ( 0.136 5.702 0.000) 5.704 8.109 ( 2.300 -3.086 0.000) 3.849 8.229 ( 8.961 -7.172 0.000) 11.478 8.303 ( -1.125 -9.206 0.000) 9.275 8.526 ( -3.383 -1.393 0.000) 3.659 8.597 ( -0.101 -16.460 0.000) 16.461 8.667 ( 10.886 -23.299 0.000) 25.716 8.802 ( 10.655 -9.366 0.000) 14.186 8.888 ( -4.132 -25.049 0.000) 25.388 9.524 ( 6.762 1.215 0.000) 6.870 9.592 ( 7.849 -2.294 0.000) 8.177 9.823 ( 1.189 0.171 0.000) 1.202 10.080 ( -5.102 -10.338 0.000) 11.528 10.503 ( -1.570 0.567 0.000) 1.669 10.552 ( 0.637 -2.640 0.000) 2.716 10.682 ( -0.171 6.289 0.000) 6.292 10.865 ( 1.291 -4.766 0.000) 4.938 10.901 ( 0.905 18.264 0.000) 18.287 11.038 ( -1.137 11.290 0.000) 11.347 11.318 ( -1.070 3.800 0.000) 3.948 11.406 ( -0.781 -0.698 0.000) 1.047 11.781 ( -0.071 6.410 0.000) 6.411 12.026 ( -2.298 12.916 0.000) 13.119 12.158 ( -1.208 -6.198 0.000) 6.315 12.530 ( -7.346 -8.158 0.000) 10.978 16.617 ( -3.964 1.734 0.000) 4.326 16.639 ( -4.896 1.744 0.000) 5.198 16.674 ( -6.020 -0.968 0.000) 6.097 16.710 ( -8.210 -1.585 0.000) 8.361 16.913 ( -1.924 4.408 0.000) 4.810 17.092 ( 6.146 1.633 0.000) 6.359 17.124 ( 2.380 -5.794 0.000) 6.264 17.144 ( 3.774 -0.718 0.000) 3.842 17.338 ( -6.483 0.490 0.000) 6.501 17.366 ( -5.036 -0.755 0.000) 5.092 17.373 ( 3.070 -0.048 0.000) 3.070 17.395 ( 0.812 -1.376 0.000) 1.597 17.712 ( 0.160 3.071 0.000) 3.075 17.723 ( -0.398 2.197 0.000) 2.233 17.895 ( -13.887 6.371 0.000) 15.279 17.931 ( -7.268 1.779 0.000) 7.483 18.510 ( 2.458 8.331 0.000) 8.686 18.586 ( 0.998 8.660 0.000) 8.717 18.832 ( 7.072 -8.482 0.000) 11.043 18.961 ( 0.810 -8.746 0.000) 8.783 19.680 ( 0.892 1.326 0.000) 1.598 19.747 ( 1.667 -1.949 0.000) 2.565 19.947 ( 1.330 8.305 0.000) 8.411 20.402 ( 4.958 -15.890 0.000) 16.645 107.927 ( -0.419 0.368 0.000) 0.558 107.930 ( -0.294 0.390 0.000) 0.489 107.942 ( 0.175 -0.083 0.000) 0.194 107.942 ( 0.100 -0.301 0.000) 0.317 107.967 ( 0.314 0.345 0.000) 0.467 107.979 ( 0.597 -0.298 0.000) 0.667 107.992 ( 0.204 0.100 0.000) 0.227 108.004 ( 0.226 -0.389 0.000) 0.450 ======================= Grid point 20 (13/60) ======================= q-point: ( 0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( 18.433 9.569 0.000) 20.768 1.451 ( 12.854 5.706 0.000) 14.064 1.697 ( 6.450 18.851 0.000) 19.924 1.763 ( 4.601 -7.435 0.000) 8.743 1.805 ( 6.445 -11.847 0.000) 13.487 1.832 ( 2.191 7.459 0.000) 7.774 2.016 ( -4.563 9.931 0.000) 10.929 2.259 ( 4.269 -10.753 0.000) 11.569 2.331 ( 14.677 -11.120 0.000) 18.414 2.471 ( 20.612 21.029 0.000) 29.447 2.533 ( 2.489 0.839 0.000) 2.627 2.534 ( -4.421 18.150 0.000) 18.681 2.581 ( -1.301 -14.674 0.000) 14.731 2.678 ( -11.496 8.214 0.000) 14.129 2.771 ( -1.933 3.869 0.000) 4.325 2.909 ( 0.726 -2.687 0.000) 2.783 2.948 ( 3.415 -2.481 0.000) 4.221 3.074 ( 3.800 1.138 0.000) 3.967 3.110 ( -4.142 -3.412 0.000) 5.366 3.125 ( 1.731 1.131 0.000) 2.067 3.229 ( 3.022 -2.191 0.000) 3.732 3.282 ( 1.798 5.882 0.000) 6.151 3.313 ( 6.813 -2.230 0.000) 7.168 3.522 ( -0.245 -5.966 0.000) 5.971 3.599 ( 5.405 4.756 0.000) 7.200 3.651 ( -0.931 1.284 0.000) 1.586 3.716 ( 3.458 6.470 0.000) 7.336 3.751 ( 0.228 2.187 0.000) 2.198 3.811 ( 0.260 4.965 0.000) 4.972 3.861 ( -2.148 4.203 0.000) 4.720 3.889 ( 1.838 1.602 0.000) 2.438 3.975 ( 0.119 -3.037 0.000) 3.039 4.001 ( 2.688 0.230 0.000) 2.697 4.045 ( -1.777 -4.873 0.000) 5.187 4.101 ( 0.916 0.530 0.000) 1.059 4.157 ( -1.225 3.054 0.000) 3.291 4.163 ( 5.475 -3.230 0.000) 6.357 4.259 ( -0.235 -1.154 0.000) 1.177 4.440 ( -2.271 1.120 0.000) 2.532 4.563 ( -6.194 -3.635 0.000) 7.182 4.613 ( -4.566 -0.077 0.000) 4.566 4.692 ( -3.243 1.921 0.000) 3.770 4.752 ( -5.714 -3.611 0.000) 6.759 4.870 ( -7.907 -5.822 0.000) 9.819 4.914 ( -7.548 0.168 0.000) 7.550 4.948 ( -11.785 -1.020 0.000) 11.829 5.025 ( -3.860 3.966 0.000) 5.535 5.224 ( -5.250 -3.662 0.000) 6.401 5.377 ( -2.625 1.061 0.000) 2.831 5.420 ( -1.777 -0.649 0.000) 1.892 5.430 ( -8.641 5.006 0.000) 9.986 5.567 ( -5.330 0.683 0.000) 5.374 5.699 ( -6.787 5.416 0.000) 8.683 5.794 ( -0.253 -1.138 0.000) 1.166 5.810 ( -3.645 4.949 0.000) 6.146 5.875 ( -1.037 3.945 0.000) 4.079 5.902 ( -2.153 -0.393 0.000) 2.189 6.005 ( -1.075 -2.402 0.000) 2.632 6.016 ( -4.427 -4.283 0.000) 6.160 6.136 ( -5.490 -0.324 0.000) 5.499 6.168 ( -0.586 -3.279 0.000) 3.331 6.241 ( -1.720 -6.582 0.000) 6.803 6.380 ( 2.071 7.414 0.000) 7.698 6.526 ( 7.946 1.895 0.000) 8.169 6.530 ( -1.399 -1.176 0.000) 1.828 6.631 ( -3.943 3.481 0.000) 5.259 6.645 ( 7.239 -2.945 0.000) 7.815 6.669 ( 1.410 6.001 0.000) 6.165 6.686 ( 2.165 7.532 0.000) 7.837 6.880 ( 7.274 -0.003 0.000) 7.274 6.904 ( -9.847 0.287 0.000) 9.851 7.010 ( 6.955 0.746 0.000) 6.994 7.057 ( 2.028 6.059 0.000) 6.389 7.063 ( 0.633 9.827 0.000) 9.848 7.115 ( -0.262 1.639 0.000) 1.660 7.161 ( 8.859 -1.967 0.000) 9.075 7.229 ( -5.214 0.230 0.000) 5.220 7.273 ( 6.133 -5.786 0.000) 8.432 7.418 ( -1.632 -7.542 0.000) 7.717 7.526 ( 3.672 6.717 0.000) 7.655 7.541 ( 3.975 0.642 0.000) 4.027 7.721 ( 4.216 20.231 0.000) 20.665 7.766 ( 2.331 2.231 0.000) 3.226 7.826 ( -1.367 -0.649 0.000) 1.514 7.856 ( 2.541 4.244 0.000) 4.947 7.931 ( 2.381 0.290 0.000) 2.399 7.945 ( 0.340 -1.047 0.000) 1.100 8.011 ( 2.184 0.887 0.000) 2.357 8.091 ( -5.076 0.014 0.000) 5.076 8.309 ( 2.571 -13.612 0.000) 13.853 8.370 ( 4.851 -7.249 0.000) 8.722 8.429 ( -4.947 -0.179 0.000) 4.950 8.615 ( 1.779 -19.276 0.000) 19.358 8.782 ( -5.342 -23.369 0.000) 23.972 8.849 ( 5.094 -21.532 0.000) 22.127 9.001 ( 4.718 -12.408 0.000) 13.275 9.710 ( 10.486 1.727 0.000) 10.627 9.803 ( 11.538 -2.968 0.000) 11.914 9.900 ( 7.152 0.823 0.000) 7.199 10.017 ( 1.353 -4.172 0.000) 4.386 10.447 ( -3.899 1.009 0.000) 4.028 10.536 ( -2.600 -4.102 0.000) 4.857 10.664 ( -2.294 3.208 0.000) 3.944 10.851 ( -2.267 -0.911 0.000) 2.443 10.929 ( 1.587 17.900 0.000) 17.970 11.000 ( -2.997 7.640 0.000) 8.207 11.288 ( -1.549 5.740 0.000) 5.946 11.381 ( -1.622 -0.199 0.000) 1.634 11.783 ( 0.355 4.860 0.000) 4.873 11.963 ( -3.519 10.639 0.000) 11.206 12.132 ( -1.059 -6.649 0.000) 6.733 12.364 ( -7.647 -4.658 0.000) 8.954 16.524 ( -5.319 -0.060 0.000) 5.320 16.535 ( -3.575 0.759 0.000) 3.655 16.557 ( -5.985 -1.355 0.000) 6.137 16.562 ( -4.328 -0.496 0.000) 4.356 16.867 ( -2.194 4.840 0.000) 5.314 17.047 ( -8.334 3.741 0.000) 9.135 17.081 ( -5.563 -5.905 0.000) 8.113 17.171 ( -8.817 -2.330 0.000) 9.120 17.287 ( 4.096 1.091 0.000) 4.239 17.317 ( 4.643 -0.324 0.000) 4.654 17.418 ( 1.219 1.341 0.000) 1.812 17.453 ( 3.168 -0.490 0.000) 3.206 17.690 ( -4.716 7.436 0.000) 8.805 17.710 ( -0.047 3.176 0.000) 3.177 17.731 ( 0.802 2.185 0.000) 2.328 17.799 ( -5.512 0.295 0.000) 5.520 18.600 ( 4.876 8.030 0.000) 9.394 18.619 ( 2.250 7.462 0.000) 7.793 18.957 ( 5.068 -9.059 0.000) 10.380 18.984 ( 1.446 -9.316 0.000) 9.428 19.716 ( 2.643 1.588 0.000) 3.083 19.792 ( 2.632 -2.062 0.000) 3.344 19.957 ( -0.692 7.756 0.000) 7.787 20.396 ( -5.417 -14.668 0.000) 15.636 107.920 ( -0.256 0.608 0.000) 0.660 107.925 ( -0.264 0.539 0.000) 0.600 107.943 ( 0.063 -0.471 0.000) 0.476 107.944 ( 0.084 -0.353 0.000) 0.363 107.977 ( 0.628 0.323 0.000) 0.706 107.992 ( 0.642 -0.349 0.000) 0.730 107.997 ( 0.246 0.186 0.000) 0.308 108.010 ( 0.275 -0.356 0.000) 0.449 ======================= Grid point 21 (14/60) ======================= q-point: ( 0.38 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( 11.538 5.307 0.000) 12.700 1.675 ( 8.617 1.915 0.000) 8.828 1.818 ( 5.067 16.564 0.000) 17.322 1.839 ( 1.921 -1.006 0.000) 2.168 1.879 ( 3.675 8.750 0.000) 9.491 1.893 ( 1.754 -7.211 0.000) 7.422 2.026 ( 4.856 10.980 0.000) 12.006 2.239 ( -5.554 -8.606 0.000) 10.242 2.294 ( -12.163 4.210 0.000) 12.871 2.419 ( -5.284 13.924 0.000) 14.892 2.525 ( 3.378 -6.955 0.000) 7.732 2.619 ( 1.368 -4.018 0.000) 4.245 2.751 ( 3.698 7.880 0.000) 8.704 2.776 ( 9.572 -10.003 0.000) 13.845 2.818 ( 5.310 1.022 0.000) 5.408 2.928 ( 3.662 4.873 0.000) 6.096 3.033 ( 3.596 -7.961 0.000) 8.736 3.124 ( 5.040 3.087 0.000) 5.910 3.139 ( 3.077 1.671 0.000) 3.501 3.178 ( 0.885 5.553 0.000) 5.623 3.273 ( 2.316 1.823 0.000) 2.947 3.332 ( -0.753 1.689 0.000) 1.849 3.450 ( 4.388 -1.758 0.000) 4.727 3.500 ( 0.878 -5.864 0.000) 5.929 3.612 ( -1.877 2.322 0.000) 2.986 3.670 ( -8.941 12.285 0.000) 15.194 3.749 ( 5.076 -2.521 0.000) 5.668 3.802 ( 7.988 1.595 0.000) 8.146 3.810 ( 4.308 5.230 0.000) 6.776 3.867 ( 1.677 1.437 0.000) 2.209 3.878 ( -2.738 -2.130 0.000) 3.468 4.026 ( 2.948 -5.083 0.000) 5.876 4.033 ( 1.238 1.406 0.000) 1.873 4.082 ( 5.721 -0.443 0.000) 5.738 4.101 ( -5.187 2.714 0.000) 5.854 4.172 ( 5.769 2.187 0.000) 6.170 4.254 ( 1.961 -2.498 0.000) 3.175 4.262 ( -0.133 -0.409 0.000) 0.431 4.368 ( -4.374 0.891 0.000) 4.464 4.428 ( -6.358 -6.040 0.000) 8.770 4.521 ( -5.023 -1.124 0.000) 5.148 4.611 ( 0.171 -5.576 0.000) 5.578 4.691 ( -11.494 2.023 0.000) 11.671 4.755 ( 0.827 0.175 0.000) 0.845 4.790 ( -5.548 -3.572 0.000) 6.599 4.804 ( 4.652 -2.829 0.000) 5.445 4.930 ( -5.278 3.608 0.000) 6.393 5.094 ( -6.425 -3.075 0.000) 7.123 5.265 ( -6.722 4.108 0.000) 7.878 5.302 ( -6.928 3.183 0.000) 7.625 5.366 ( -0.161 -1.301 0.000) 1.311 5.466 ( -3.613 -2.922 0.000) 4.646 5.617 ( 0.580 5.074 0.000) 5.108 5.696 ( -6.122 4.315 0.000) 7.490 5.774 ( -5.699 -0.601 0.000) 5.730 5.832 ( 2.095 -0.246 0.000) 2.109 5.854 ( -2.370 1.116 0.000) 2.619 5.984 ( -0.793 -0.053 0.000) 0.795 6.031 ( -0.337 -2.901 0.000) 2.920 6.049 ( 1.810 0.660 0.000) 1.927 6.101 ( -5.383 -3.970 0.000) 6.688 6.224 ( -0.090 -7.988 0.000) 7.989 6.334 ( -8.317 3.028 0.000) 8.851 6.389 ( -8.815 -0.962 0.000) 8.867 6.600 ( 1.561 7.578 0.000) 7.737 6.660 ( 2.781 5.920 0.000) 6.540 6.708 ( 2.406 3.126 0.000) 3.944 6.735 ( 0.769 10.355 0.000) 10.383 6.783 ( 5.806 0.055 0.000) 5.807 6.795 ( 1.786 -1.133 0.000) 2.116 6.967 ( 1.284 -1.580 0.000) 2.036 7.075 ( -1.421 -0.452 0.000) 1.491 7.105 ( 4.195 2.129 0.000) 4.704 7.111 ( 0.482 6.346 0.000) 6.364 7.114 ( 1.898 2.672 0.000) 3.278 7.169 ( -0.691 0.511 0.000) 0.859 7.353 ( 0.526 1.750 0.000) 1.827 7.361 ( 10.585 2.330 0.000) 10.838 7.379 ( -1.863 -2.587 0.000) 3.188 7.641 ( 7.019 -0.646 0.000) 7.049 7.655 ( 5.293 3.738 0.000) 6.480 7.728 ( -3.551 -2.920 0.000) 4.597 7.786 ( 1.448 17.237 0.000) 17.298 7.857 ( 1.391 2.654 0.000) 2.996 7.894 ( -0.656 6.204 0.000) 6.239 7.931 ( -8.100 2.966 0.000) 8.626 7.942 ( 1.222 2.639 0.000) 2.908 7.982 ( 1.215 2.320 0.000) 2.619 8.118 ( 7.334 -9.397 0.000) 11.921 8.326 ( -3.448 -10.421 0.000) 10.977 8.404 ( 4.533 -8.152 0.000) 9.327 8.469 ( 5.363 -4.786 0.000) 7.188 8.629 ( -2.064 -17.470 0.000) 17.591 8.722 ( 1.612 -23.956 0.000) 24.010 8.866 ( -3.405 -19.692 0.000) 19.984 8.942 ( -8.338 -12.931 0.000) 15.386 9.940 ( 11.062 2.083 0.000) 11.256 10.047 ( 11.463 -3.207 0.000) 11.903 10.112 ( 11.517 0.561 0.000) 11.531 10.178 ( 12.822 -2.074 0.000) 12.989 10.339 ( -5.982 1.000 0.000) 6.065 10.442 ( -6.248 -3.844 0.000) 7.336 10.560 ( -7.735 1.137 0.000) 7.818 10.761 ( -8.047 -7.435 0.000) 10.956 10.934 ( -1.552 17.097 0.000) 17.167 10.952 ( 0.262 17.026 0.000) 17.028 11.268 ( -0.058 6.410 0.000) 6.411 11.339 ( -2.328 1.698 0.000) 2.882 11.798 ( 1.149 4.260 0.000) 4.412 11.890 ( -3.275 7.720 0.000) 8.386 12.122 ( 0.339 -6.758 0.000) 6.767 12.229 ( -5.129 -4.701 0.000) 6.957 16.448 ( -1.584 -0.186 0.000) 1.594 16.466 ( -2.663 -0.888 0.000) 2.807 16.471 ( -2.490 0.596 0.000) 2.560 16.499 ( -1.986 -0.662 0.000) 2.093 16.832 ( -0.850 1.816 0.000) 2.006 16.886 ( -5.804 1.143 0.000) 5.915 16.944 ( -6.498 -3.586 0.000) 7.422 16.973 ( -8.292 -2.372 0.000) 8.624 17.347 ( 2.353 4.858 0.000) 5.398 17.418 ( -0.958 3.689 0.000) 3.811 17.444 ( 5.005 -1.350 0.000) 5.183 17.498 ( 1.174 -1.257 0.000) 1.720 17.660 ( 0.901 3.669 0.000) 3.778 17.709 ( -0.325 3.142 0.000) 3.159 17.719 ( -1.942 0.912 0.000) 2.146 17.741 ( -0.177 1.961 0.000) 1.969 18.673 ( 2.538 6.553 0.000) 7.027 18.684 ( 2.793 7.495 0.000) 7.999 19.020 ( 1.873 -9.378 0.000) 9.563 19.037 ( 2.357 -9.070 0.000) 9.371 19.784 ( 3.558 1.529 0.000) 3.872 19.866 ( 4.985 -2.384 0.000) 5.526 19.918 ( -2.751 5.525 0.000) 6.172 20.220 ( -10.147 -9.349 0.000) 13.797 107.917 ( -0.066 0.681 0.000) 0.684 107.920 ( -0.187 0.634 0.000) 0.661 107.944 ( 0.043 -0.604 0.000) 0.605 107.945 ( 0.018 -0.548 0.000) 0.548 107.990 ( 0.552 0.306 0.000) 0.631 108.001 ( 0.065 0.260 0.000) 0.268 108.004 ( 0.528 -0.324 0.000) 0.619 108.014 ( 0.090 -0.330 0.000) 0.342 ======================= Grid point 22 (15/60) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.771 ( -0.181 8.076 0.000) 8.078 1.771 ( 0.181 8.076 0.000) 8.078 1.873 ( -0.787 -5.560 0.000) 5.616 1.873 ( 0.787 -5.560 0.000) 5.616 1.940 ( -2.807 3.755 0.000) 4.688 1.940 ( 2.807 3.755 0.000) 4.688 2.092 ( -5.575 5.448 0.000) 7.795 2.092 ( 5.575 5.448 0.000) 7.795 2.264 ( -8.000 13.937 0.000) 16.070 2.264 ( 8.000 13.937 0.000) 16.070 2.605 ( -2.837 -7.093 0.000) 7.639 2.605 ( 2.837 -7.093 0.000) 7.639 2.789 ( -2.586 1.331 0.000) 2.909 2.789 ( 2.586 1.331 0.000) 2.909 3.007 ( -4.056 -11.565 0.000) 12.256 3.007 ( 4.056 -11.565 0.000) 12.256 3.068 ( -4.267 3.191 0.000) 5.328 3.068 ( 4.267 3.191 0.000) 5.328 3.216 ( -0.564 6.192 0.000) 6.218 3.216 ( 0.564 6.192 0.000) 6.218 3.314 ( -1.068 1.530 0.000) 1.866 3.314 ( 1.068 1.530 0.000) 1.866 3.464 ( -0.935 2.123 0.000) 2.320 3.464 ( 0.935 2.123 0.000) 2.320 3.585 ( -0.577 2.897 0.000) 2.954 3.585 ( 0.577 2.897 0.000) 2.954 3.820 ( -1.307 -2.520 0.000) 2.839 3.820 ( 1.307 -2.520 0.000) 2.839 3.913 ( -4.925 2.083 0.000) 5.347 3.913 ( 4.925 2.083 0.000) 5.347 3.998 ( -6.607 -3.129 0.000) 7.310 3.998 ( 6.607 -3.129 0.000) 7.310 4.012 ( -2.188 5.824 0.000) 6.222 4.012 ( 2.188 5.824 0.000) 6.222 4.213 ( -5.119 -1.577 0.000) 5.357 4.213 ( 5.119 -1.577 0.000) 5.357 4.284 ( -3.231 -1.927 0.000) 3.762 4.284 ( 3.231 -1.927 0.000) 3.762 4.316 ( -5.174 -3.001 0.000) 5.981 4.316 ( 5.174 -3.001 0.000) 5.981 4.489 ( -5.040 2.553 0.000) 5.650 4.489 ( 5.040 2.553 0.000) 5.650 4.679 ( -5.038 -5.821 0.000) 7.698 4.679 ( 5.038 -5.821 0.000) 7.698 4.824 ( -4.759 2.981 0.000) 5.616 4.824 ( 4.759 2.981 0.000) 5.616 4.951 ( -7.676 -2.899 0.000) 8.205 4.951 ( 7.676 -2.899 0.000) 8.205 5.192 ( -1.107 5.042 0.000) 5.162 5.192 ( 1.107 5.042 0.000) 5.162 5.410 ( -2.860 -5.107 0.000) 5.854 5.410 ( 2.860 -5.107 0.000) 5.854 5.617 ( -0.091 4.078 0.000) 4.079 5.617 ( 0.091 4.078 0.000) 4.079 5.765 ( -5.005 -1.214 0.000) 5.150 5.765 ( 5.005 -1.214 0.000) 5.150 5.928 ( -5.748 2.176 0.000) 6.146 5.928 ( 5.748 2.176 0.000) 6.146 6.012 ( -0.759 2.249 0.000) 2.373 6.012 ( 0.759 2.249 0.000) 2.373 6.158 ( -6.731 -1.024 0.000) 6.808 6.158 ( 6.731 -1.024 0.000) 6.808 6.253 ( -3.601 -7.140 0.000) 7.997 6.253 ( 3.601 -7.140 0.000) 7.997 6.653 ( -2.267 7.251 0.000) 7.597 6.653 ( 2.267 7.251 0.000) 7.597 6.739 ( -0.275 4.046 0.000) 4.055 6.739 ( 0.275 4.046 0.000) 4.055 6.847 ( -0.707 2.571 0.000) 2.667 6.847 ( 0.707 2.571 0.000) 2.667 7.008 ( -3.602 -1.688 0.000) 3.978 7.008 ( 3.602 -1.688 0.000) 3.978 7.124 ( -0.370 6.095 0.000) 6.106 7.124 ( 0.370 6.095 0.000) 6.106 7.167 ( -0.859 -0.574 0.000) 1.033 7.167 ( 0.859 -0.574 0.000) 1.033 7.350 ( -0.592 2.018 0.000) 2.103 7.350 ( 0.592 2.018 0.000) 2.103 7.580 ( -9.409 2.740 0.000) 9.800 7.580 ( 9.409 2.740 0.000) 9.800 7.756 ( -0.270 -5.359 0.000) 5.365 7.756 ( 0.270 -5.359 0.000) 5.365 7.785 ( -2.655 12.179 0.000) 12.465 7.785 ( 2.655 12.179 0.000) 12.465 7.873 ( -0.053 3.897 0.000) 3.897 7.873 ( 0.053 3.897 0.000) 3.897 7.981 ( -1.398 3.745 0.000) 3.997 7.981 ( 1.398 3.745 0.000) 3.997 8.249 ( -4.510 -9.434 0.000) 10.456 8.249 ( 4.510 -9.434 0.000) 10.456 8.502 ( -3.969 -11.205 0.000) 11.887 8.502 ( 3.969 -11.205 0.000) 11.887 8.688 ( -10.122 -9.422 0.000) 13.828 8.688 ( 10.122 -9.422 0.000) 13.828 8.804 ( -5.052 -22.796 0.000) 23.350 8.804 ( 5.052 -22.796 0.000) 23.350 10.157 ( -9.368 2.153 0.000) 9.612 10.157 ( 9.368 2.153 0.000) 9.612 10.264 ( -8.338 -2.643 0.000) 8.747 10.264 ( 8.338 -2.643 0.000) 8.747 10.361 ( -10.140 0.320 0.000) 10.145 10.361 ( 10.140 0.320 0.000) 10.145 10.511 ( -14.630 -6.301 0.000) 15.929 10.511 ( 14.630 -6.301 0.000) 15.929 10.940 ( -1.115 17.828 0.000) 17.863 10.940 ( 1.115 17.828 0.000) 17.863 11.290 ( -2.026 4.577 0.000) 5.006 11.290 ( 2.026 4.577 0.000) 5.006 11.832 ( -2.199 5.279 0.000) 5.718 11.832 ( 2.199 5.279 0.000) 5.718 12.151 ( -2.463 -5.990 0.000) 6.477 12.151 ( 2.463 -5.990 0.000) 6.477 16.439 ( -0.460 0.272 0.000) 0.535 16.439 ( 0.460 0.272 0.000) 0.535 16.460 ( -1.653 -0.604 0.000) 1.760 16.460 ( 1.653 -0.604 0.000) 1.760 16.833 ( -0.058 -0.802 0.000) 0.804 16.833 ( 0.058 -0.802 0.000) 0.804 16.864 ( -1.153 -1.798 0.000) 2.136 16.864 ( 1.153 -1.798 0.000) 2.136 17.389 ( -1.705 5.600 0.000) 5.854 17.389 ( 1.705 5.600 0.000) 5.854 17.503 ( -0.892 -1.733 0.000) 1.949 17.503 ( 0.892 -1.733 0.000) 1.949 17.690 ( -1.359 2.513 0.000) 2.856 17.690 ( 1.359 2.513 0.000) 2.856 17.720 ( -1.437 1.837 0.000) 2.332 17.720 ( 1.437 1.837 0.000) 2.332 18.708 ( -0.466 6.755 0.000) 6.771 18.708 ( 0.466 6.755 0.000) 6.771 19.052 ( -0.754 -9.190 0.000) 9.221 19.052 ( 0.754 -9.190 0.000) 9.221 19.854 ( -3.200 2.904 0.000) 4.321 19.854 ( 3.200 2.904 0.000) 4.321 20.013 ( -8.956 -4.798 0.000) 10.160 20.013 ( 8.956 -4.798 0.000) 10.160 107.917 ( -0.077 0.682 0.000) 0.687 107.917 ( 0.077 0.682 0.000) 0.687 107.945 ( -0.022 -0.634 0.000) 0.635 107.945 ( 0.022 -0.634 0.000) 0.635 107.999 ( -0.257 0.297 0.000) 0.392 107.999 ( 0.257 0.297 0.000) 0.392 108.013 ( -0.237 -0.318 0.000) 0.397 108.013 ( 0.237 -0.318 0.000) 0.397 ======================= Grid point 27 (16/60) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( 0.000 -22.187 0.000) 22.187 1.212 ( 0.000 22.187 0.000) 22.187 1.247 ( 0.000 -18.721 0.000) 18.721 1.247 ( 0.000 18.721 0.000) 18.721 1.582 ( 0.000 -6.236 0.000) 6.236 1.582 ( 0.000 6.236 0.000) 6.236 1.925 ( 0.000 -2.043 0.000) 2.043 1.925 ( 0.000 2.043 0.000) 2.043 2.414 ( 0.000 -2.729 0.000) 2.729 2.414 ( 0.000 2.729 0.000) 2.729 2.578 ( 0.000 -21.263 0.000) 21.263 2.578 ( 0.000 21.263 0.000) 21.263 2.724 ( 0.000 -14.360 0.000) 14.360 2.724 ( 0.000 14.360 0.000) 14.360 2.918 ( 0.000 -0.865 0.000) 0.865 2.918 ( 0.000 0.865 0.000) 0.865 3.005 ( 0.000 -11.021 0.000) 11.021 3.005 ( 0.000 11.021 0.000) 11.021 3.094 ( 0.000 -4.951 0.000) 4.951 3.094 ( 0.000 4.951 0.000) 4.951 3.254 ( 0.000 -3.901 0.000) 3.901 3.254 ( 0.000 3.901 0.000) 3.901 3.434 ( 0.000 -1.035 0.000) 1.035 3.434 ( 0.000 1.035 0.000) 1.035 3.515 ( 0.000 -1.165 0.000) 1.165 3.515 ( 0.000 1.165 0.000) 1.165 3.727 ( 0.000 -4.200 0.000) 4.200 3.727 ( 0.000 4.200 0.000) 4.200 3.827 ( 0.000 -2.829 0.000) 2.829 3.827 ( 0.000 2.829 0.000) 2.829 3.911 ( 0.000 -2.611 0.000) 2.611 3.911 ( 0.000 2.611 0.000) 2.611 3.936 ( 0.000 -2.051 0.000) 2.051 3.936 ( 0.000 2.051 0.000) 2.051 4.114 ( 0.000 -0.767 0.000) 0.767 4.114 ( 0.000 0.767 0.000) 0.767 4.268 ( 0.000 -1.357 0.000) 1.357 4.268 ( 0.000 1.357 0.000) 1.357 4.614 ( 0.000 -7.042 0.000) 7.042 4.614 ( 0.000 7.042 0.000) 7.042 4.896 ( 0.000 -7.079 0.000) 7.079 4.896 ( 0.000 7.079 0.000) 7.079 4.985 ( 0.000 -7.824 0.000) 7.824 4.985 ( 0.000 7.824 0.000) 7.824 5.156 ( 0.000 -2.136 0.000) 2.136 5.156 ( 0.000 2.136 0.000) 2.136 5.320 ( 0.000 -2.222 0.000) 2.222 5.320 ( 0.000 2.222 0.000) 2.222 5.464 ( 0.000 -0.722 0.000) 0.722 5.464 ( 0.000 0.722 0.000) 0.722 5.704 ( 0.000 -0.246 0.000) 0.246 5.704 ( 0.000 0.246 0.000) 0.246 5.756 ( 0.000 -2.480 0.000) 2.480 5.756 ( 0.000 2.480 0.000) 2.480 5.887 ( 0.000 -4.301 0.000) 4.301 5.887 ( 0.000 4.301 0.000) 4.301 6.041 ( 0.000 -4.359 0.000) 4.359 6.041 ( 0.000 4.359 0.000) 4.359 6.155 ( 0.000 -1.538 0.000) 1.538 6.155 ( 0.000 1.538 0.000) 1.538 6.157 ( 0.000 -0.620 0.000) 0.620 6.157 ( 0.000 0.620 0.000) 0.620 6.403 ( 0.000 -6.913 0.000) 6.913 6.403 ( 0.000 6.913 0.000) 6.913 6.445 ( 0.000 -2.204 0.000) 2.204 6.445 ( 0.000 2.204 0.000) 2.204 6.642 ( 0.000 -2.529 0.000) 2.529 6.642 ( 0.000 2.529 0.000) 2.529 6.736 ( 0.000 -0.883 0.000) 0.883 6.736 ( 0.000 0.883 0.000) 0.883 6.809 ( 0.000 -2.950 0.000) 2.950 6.809 ( 0.000 2.950 0.000) 2.950 7.049 ( 0.000 -2.579 0.000) 2.579 7.049 ( 0.000 2.579 0.000) 2.579 7.092 ( 0.000 -0.567 0.000) 0.567 7.092 ( 0.000 0.567 0.000) 0.567 7.380 ( 0.000 -8.701 0.000) 8.701 7.380 ( 0.000 8.701 0.000) 8.701 7.585 ( 0.000 -8.748 0.000) 8.748 7.585 ( 0.000 8.748 0.000) 8.748 7.592 ( 0.000 -1.137 0.000) 1.137 7.592 ( 0.000 1.137 0.000) 1.137 7.767 ( 0.000 -0.632 0.000) 0.632 7.767 ( 0.000 0.632 0.000) 0.632 7.916 ( 0.000 -5.883 0.000) 5.883 7.916 ( 0.000 5.883 0.000) 5.883 8.002 ( 0.000 -2.535 0.000) 2.535 8.002 ( 0.000 2.535 0.000) 2.535 8.107 ( 0.000 -0.149 0.000) 0.149 8.107 ( 0.000 0.149 0.000) 0.149 8.182 ( 0.000 -3.336 0.000) 3.336 8.182 ( 0.000 3.336 0.000) 3.336 8.523 ( 0.000 -12.473 0.000) 12.473 8.523 ( 0.000 12.473 0.000) 12.473 8.592 ( 0.000 -2.509 0.000) 2.509 8.592 ( 0.000 2.509 0.000) 2.509 9.474 ( 0.000 -1.499 0.000) 1.499 9.474 ( 0.000 1.499 0.000) 1.499 9.909 ( 0.000 -9.619 0.000) 9.619 9.909 ( 0.000 9.619 0.000) 9.619 10.526 ( 0.000 -0.647 0.000) 0.647 10.526 ( 0.000 0.647 0.000) 0.647 10.773 ( 0.000 -3.602 0.000) 3.602 10.773 ( 0.000 3.602 0.000) 3.602 11.201 ( 0.000 -13.230 0.000) 13.230 11.201 ( 0.000 13.230 0.000) 13.230 11.291 ( 0.000 -10.802 0.000) 10.802 11.291 ( 0.000 10.802 0.000) 10.802 11.997 ( 0.000 -11.945 0.000) 11.945 11.997 ( 0.000 11.945 0.000) 11.945 12.351 ( 0.000 -15.928 0.000) 15.928 12.351 ( 0.000 15.928 0.000) 15.928 16.716 ( 0.000 -2.645 0.000) 2.645 16.716 ( 0.000 2.645 0.000) 2.645 16.774 ( 0.000 -3.788 0.000) 3.788 16.774 ( 0.000 3.788 0.000) 3.788 16.986 ( 0.000 -3.188 0.000) 3.188 16.986 ( 0.000 3.188 0.000) 3.188 17.048 ( 0.000 -3.094 0.000) 3.094 17.048 ( 0.000 3.094 0.000) 3.094 17.347 ( 0.000 -1.653 0.000) 1.653 17.347 ( 0.000 1.653 0.000) 1.653 17.418 ( 0.000 -0.148 0.000) 0.148 17.418 ( 0.000 0.148 0.000) 0.148 17.746 ( 0.000 -0.500 0.000) 0.500 17.746 ( 0.000 0.500 0.000) 0.500 18.061 ( 0.000 -4.131 0.000) 4.131 18.061 ( 0.000 4.131 0.000) 4.131 18.625 ( 0.000 -3.541 0.000) 3.541 18.625 ( 0.000 3.541 0.000) 3.541 18.768 ( 0.000 -10.512 0.000) 10.512 18.768 ( 0.000 10.512 0.000) 10.512 19.696 ( 0.000 -1.516 0.000) 1.516 19.696 ( 0.000 1.516 0.000) 1.516 20.102 ( 0.000 -10.208 0.000) 10.208 20.102 ( 0.000 10.208 0.000) 10.208 107.936 ( 0.000 -0.168 0.000) 0.168 107.936 ( 0.000 0.168 0.000) 0.168 107.939 ( 0.000 -0.093 0.000) 0.093 107.939 ( 0.000 0.093 0.000) 0.093 107.969 ( 0.000 -0.094 0.000) 0.094 107.969 ( 0.000 0.094 0.000) 0.094 107.994 ( 0.000 -0.353 0.000) 0.353 107.994 ( 0.000 0.353 0.000) 0.353 ======================= Grid point 29 (17/60) ======================= q-point: ( 0.12 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( 9.158 -19.213 0.000) 21.284 1.315 ( 9.158 19.213 0.000) 21.284 1.381 ( 9.899 -13.994 0.000) 17.142 1.381 ( 9.899 13.994 0.000) 17.142 1.742 ( 14.408 -10.612 0.000) 17.894 1.742 ( 14.408 10.612 0.000) 17.894 1.941 ( 2.055 -7.919 0.000) 8.181 1.941 ( 2.055 7.919 0.000) 8.181 2.387 ( -3.560 -11.181 0.000) 11.735 2.387 ( -3.560 11.181 0.000) 11.735 2.621 ( 4.544 -18.243 0.000) 18.800 2.621 ( 4.544 18.243 0.000) 18.800 2.669 ( -2.453 -10.836 0.000) 11.111 2.669 ( -2.453 10.836 0.000) 11.111 2.952 ( -5.623 -8.034 0.000) 9.806 2.952 ( -5.623 8.034 0.000) 9.806 2.976 ( 3.305 -1.534 0.000) 3.644 2.976 ( 3.305 1.534 0.000) 3.644 3.137 ( 4.218 -3.361 0.000) 5.393 3.137 ( 4.218 3.361 0.000) 5.393 3.146 ( -6.490 -5.657 0.000) 8.609 3.146 ( -6.490 5.657 0.000) 8.609 3.434 ( -0.879 -4.686 0.000) 4.768 3.434 ( -0.879 4.686 0.000) 4.768 3.588 ( 5.086 -5.540 0.000) 7.520 3.588 ( 5.086 5.540 0.000) 7.520 3.748 ( 2.130 -3.946 0.000) 4.484 3.748 ( 2.130 3.946 0.000) 4.484 3.823 ( 0.102 -3.730 0.000) 3.731 3.823 ( 0.102 3.730 0.000) 3.731 3.931 ( 1.236 -2.789 0.000) 3.051 3.931 ( 1.236 2.789 0.000) 3.051 3.966 ( 2.027 -2.936 0.000) 3.568 3.966 ( 2.027 2.936 0.000) 3.568 4.095 ( -0.936 -1.162 0.000) 1.492 4.095 ( -0.936 1.162 0.000) 1.492 4.244 ( -1.843 -0.888 0.000) 2.046 4.244 ( -1.843 0.888 0.000) 2.046 4.580 ( -3.087 -6.232 0.000) 6.955 4.580 ( -3.087 6.232 0.000) 6.955 4.797 ( -7.446 -5.749 0.000) 9.407 4.797 ( -7.446 5.749 0.000) 9.407 4.909 ( -6.549 -6.812 0.000) 9.449 4.909 ( -6.549 6.812 0.000) 9.449 5.109 ( -5.671 -1.813 0.000) 5.954 5.109 ( -5.671 1.813 0.000) 5.954 5.231 ( -5.869 -3.883 0.000) 7.037 5.231 ( -5.869 3.883 0.000) 7.037 5.450 ( -1.470 -0.738 0.000) 1.644 5.450 ( -1.470 0.738 0.000) 1.644 5.657 ( -4.552 -1.859 0.000) 4.917 5.657 ( -4.552 1.859 0.000) 4.917 5.748 ( 0.096 -1.170 0.000) 1.174 5.748 ( 0.096 1.170 0.000) 1.174 5.917 ( 1.576 -5.066 0.000) 5.305 5.917 ( 1.576 5.066 0.000) 5.305 6.036 ( -1.793 -2.740 0.000) 3.275 6.036 ( -1.793 2.740 0.000) 3.275 6.104 ( -3.676 -7.350 0.000) 8.218 6.104 ( -3.676 7.350 0.000) 8.218 6.208 ( 0.746 -1.544 0.000) 1.715 6.208 ( 0.746 1.544 0.000) 1.715 6.448 ( 3.139 -5.669 0.000) 6.480 6.448 ( 3.139 5.669 0.000) 6.480 6.458 ( 2.162 -2.806 0.000) 3.543 6.458 ( 2.162 2.806 0.000) 3.543 6.662 ( 1.853 -1.978 0.000) 2.710 6.662 ( 1.853 1.978 0.000) 2.710 6.743 ( 1.332 -2.127 0.000) 2.509 6.743 ( 1.332 2.127 0.000) 2.509 6.855 ( 7.552 -1.598 0.000) 7.719 6.855 ( 7.552 1.598 0.000) 7.719 7.085 ( 2.298 -3.285 0.000) 4.008 7.085 ( 2.298 3.285 0.000) 4.008 7.126 ( 1.856 -3.566 0.000) 4.020 7.126 ( 1.856 3.566 0.000) 4.020 7.318 ( -6.708 -6.103 0.000) 9.069 7.318 ( -6.708 6.103 0.000) 9.069 7.480 ( -5.817 -4.574 0.000) 7.400 7.480 ( -5.817 4.574 0.000) 7.400 7.637 ( 4.260 -9.221 0.000) 10.158 7.637 ( 4.260 9.221 0.000) 10.158 7.821 ( 2.000 -8.144 0.000) 8.386 7.821 ( 2.000 8.144 0.000) 8.386 7.910 ( -1.534 -7.562 0.000) 7.716 7.910 ( -1.534 7.562 0.000) 7.716 7.926 ( 1.110 -5.943 0.000) 6.046 7.926 ( 1.110 5.943 0.000) 6.046 8.151 ( 3.319 -7.383 0.000) 8.095 8.151 ( 3.319 7.383 0.000) 8.095 8.325 ( 4.356 -10.073 0.000) 10.975 8.325 ( 4.356 10.073 0.000) 10.975 8.487 ( -3.046 -11.539 0.000) 11.934 8.487 ( -3.046 11.539 0.000) 11.934 8.636 ( 5.694 -8.397 0.000) 10.146 8.636 ( 5.694 8.397 0.000) 10.146 9.553 ( 7.229 -1.811 0.000) 7.452 9.553 ( 7.229 1.811 0.000) 7.452 9.899 ( -0.314 -7.483 0.000) 7.489 9.899 ( -0.314 7.483 0.000) 7.489 10.518 ( -0.970 -1.131 0.000) 1.490 10.518 ( -0.970 1.131 0.000) 1.490 10.772 ( -0.373 -4.394 0.000) 4.410 10.772 ( -0.373 4.394 0.000) 4.410 11.206 ( 0.409 -12.680 0.000) 12.687 11.206 ( 0.409 12.680 0.000) 12.687 11.279 ( -1.082 -11.169 0.000) 11.221 11.279 ( -1.082 11.169 0.000) 11.221 11.983 ( -1.157 -11.658 0.000) 11.715 11.983 ( -1.157 11.658 0.000) 11.715 12.305 ( -4.079 -14.510 0.000) 15.073 12.305 ( -4.079 14.510 0.000) 15.073 16.650 ( -4.992 -1.564 0.000) 5.231 16.650 ( -4.992 1.564 0.000) 5.231 16.675 ( -7.155 -1.979 0.000) 7.424 16.675 ( -7.155 1.979 0.000) 7.424 17.012 ( 0.229 -5.788 0.000) 5.792 17.012 ( 0.229 5.788 0.000) 5.792 17.122 ( 5.374 -1.450 0.000) 5.566 17.122 ( 5.374 1.450 0.000) 5.566 17.350 ( -5.978 -0.782 0.000) 6.029 17.350 ( -5.978 0.782 0.000) 6.029 17.377 ( 2.741 -0.521 0.000) 2.790 17.377 ( 2.741 0.521 0.000) 2.790 17.744 ( -0.093 -0.199 0.000) 0.220 17.744 ( -0.093 0.199 0.000) 0.220 17.947 ( -8.792 -0.650 0.000) 8.816 17.947 ( -8.792 0.650 0.000) 8.816 18.672 ( 4.180 -8.465 0.000) 9.441 18.672 ( 4.180 8.465 0.000) 9.441 18.773 ( 0.509 -10.498 0.000) 10.510 18.773 ( 0.509 10.498 0.000) 10.510 19.710 ( 1.343 -1.849 0.000) 2.285 19.710 ( 1.343 1.849 0.000) 2.285 20.140 ( 2.201 -11.981 0.000) 12.181 20.140 ( 2.201 11.981 0.000) 12.181 107.935 ( -0.117 -0.393 0.000) 0.410 107.935 ( -0.117 0.393 0.000) 0.410 107.938 ( -0.088 -0.322 0.000) 0.334 107.938 ( -0.088 0.322 0.000) 0.334 107.973 ( 0.427 -0.304 0.000) 0.525 107.973 ( 0.427 0.304 0.000) 0.525 107.997 ( 0.243 -0.356 0.000) 0.431 107.997 ( 0.243 0.356 0.000) 0.431 ======================= Grid point 31 (18/60) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( 12.029 -12.682 0.000) 17.479 1.549 ( 12.029 12.682 0.000) 17.479 1.583 ( 8.983 -9.478 0.000) 13.058 1.583 ( 8.983 9.478 0.000) 13.058 2.022 ( 4.876 -12.249 0.000) 13.184 2.022 ( 4.876 12.249 0.000) 13.184 2.052 ( 11.462 -17.099 0.000) 20.585 2.052 ( 11.462 17.099 0.000) 20.585 2.274 ( -4.822 -15.262 0.000) 16.005 2.274 ( -4.822 15.262 0.000) 16.005 2.667 ( 1.642 -9.318 0.000) 9.462 2.667 ( 1.642 9.318 0.000) 9.462 2.757 ( -0.673 -0.588 0.000) 0.894 2.757 ( -0.673 0.588 0.000) 0.894 2.792 ( -0.806 -9.914 0.000) 9.947 2.792 ( -0.806 9.914 0.000) 9.947 3.024 ( 1.835 -5.612 0.000) 5.905 3.024 ( 1.835 5.612 0.000) 5.905 3.088 ( 2.812 -3.137 0.000) 4.213 3.088 ( 2.812 3.137 0.000) 4.213 3.255 ( 6.186 -3.570 0.000) 7.142 3.255 ( 6.186 3.570 0.000) 7.142 3.412 ( -1.258 -6.360 0.000) 6.483 3.412 ( -1.258 6.360 0.000) 6.483 3.666 ( 2.153 -1.683 0.000) 2.733 3.666 ( 2.153 1.683 0.000) 2.733 3.819 ( 4.457 -3.889 0.000) 5.915 3.819 ( 4.457 3.889 0.000) 5.915 3.826 ( -0.407 -5.954 0.000) 5.968 3.826 ( -0.407 5.954 0.000) 5.968 3.923 ( -2.437 -2.980 0.000) 3.849 3.923 ( -2.437 2.980 0.000) 3.849 4.002 ( 1.744 -1.863 0.000) 2.552 4.002 ( 1.744 1.863 0.000) 2.552 4.118 ( 3.661 -1.503 0.000) 3.958 4.118 ( 3.661 1.503 0.000) 3.958 4.217 ( -0.583 -2.970 0.000) 3.026 4.217 ( -0.583 2.970 0.000) 3.026 4.491 ( -5.246 -3.851 0.000) 6.508 4.491 ( -5.246 3.851 0.000) 6.508 4.648 ( -6.872 -4.163 0.000) 8.034 4.648 ( -6.872 4.163 0.000) 8.034 4.769 ( -4.823 -4.556 0.000) 6.635 4.769 ( -4.823 4.556 0.000) 6.635 4.927 ( -9.845 -1.093 0.000) 9.905 4.927 ( -9.845 1.093 0.000) 9.905 5.126 ( -5.136 -5.979 0.000) 7.882 5.126 ( -5.136 5.979 0.000) 7.882 5.403 ( -2.720 -1.342 0.000) 3.033 5.403 ( -2.720 1.342 0.000) 3.033 5.524 ( -7.629 -4.290 0.000) 8.752 5.524 ( -7.629 4.290 0.000) 8.752 5.768 ( 1.079 -1.953 0.000) 2.231 5.768 ( 1.079 1.953 0.000) 2.231 5.909 ( -2.539 -2.928 0.000) 3.876 5.909 ( -2.539 2.928 0.000) 3.876 5.929 ( -6.891 -3.976 0.000) 7.955 5.929 ( -6.891 3.976 0.000) 7.955 6.038 ( -2.253 -7.825 0.000) 8.143 6.038 ( -2.253 7.825 0.000) 8.143 6.157 ( -3.189 -2.496 0.000) 4.050 6.157 ( -3.189 2.496 0.000) 4.050 6.490 ( -0.330 -3.415 0.000) 3.431 6.490 ( -0.330 3.415 0.000) 3.431 6.580 ( 8.121 -3.391 0.000) 8.801 6.580 ( 8.121 3.391 0.000) 8.801 6.701 ( 1.036 -3.942 0.000) 4.076 6.701 ( 1.036 3.942 0.000) 4.076 6.798 ( 3.286 -6.812 0.000) 7.563 6.798 ( 3.286 6.812 0.000) 7.563 7.039 ( -6.776 -9.471 0.000) 11.645 7.039 ( -6.776 9.471 0.000) 11.645 7.067 ( 7.439 -4.197 0.000) 8.542 7.067 ( 7.439 4.197 0.000) 8.542 7.181 ( 6.587 -3.831 0.000) 7.620 7.181 ( 6.587 3.831 0.000) 7.620 7.201 ( -1.666 -4.707 0.000) 4.993 7.201 ( -1.666 4.707 0.000) 4.993 7.444 ( 1.436 -10.287 0.000) 10.387 7.444 ( 1.436 10.287 0.000) 10.387 7.726 ( 3.453 -12.298 0.000) 12.774 7.726 ( 3.453 12.298 0.000) 12.774 7.836 ( 1.131 -3.695 0.000) 3.865 7.836 ( 1.131 3.695 0.000) 3.865 7.949 ( 2.510 -7.225 0.000) 7.649 7.949 ( 2.510 7.225 0.000) 7.649 7.962 ( 2.214 -3.322 0.000) 3.992 7.962 ( 2.214 3.322 0.000) 3.992 8.209 ( 1.908 -16.415 0.000) 16.526 8.209 ( 1.908 16.415 0.000) 16.526 8.306 ( -3.677 -11.013 0.000) 11.611 8.306 ( -3.677 11.013 0.000) 11.611 8.428 ( -1.727 -7.121 0.000) 7.327 8.428 ( -1.727 7.121 0.000) 7.327 8.770 ( 3.760 -9.958 0.000) 10.644 8.770 ( 3.760 9.958 0.000) 10.644 9.750 ( 11.000 -2.478 0.000) 11.275 9.750 ( 11.000 2.478 0.000) 11.275 9.942 ( 5.578 -3.368 0.000) 6.516 9.942 ( 5.578 3.368 0.000) 6.516 10.476 ( -3.240 -2.211 0.000) 3.923 10.476 ( -3.240 2.211 0.000) 3.923 10.740 ( -3.172 -5.387 0.000) 6.251 10.740 ( -3.172 5.387 0.000) 6.251 11.214 ( 0.328 -11.163 0.000) 11.168 11.214 ( 0.328 11.163 0.000) 11.168 11.251 ( -1.424 -11.899 0.000) 11.984 11.251 ( -1.424 11.899 0.000) 11.984 11.959 ( -0.918 -10.952 0.000) 10.990 11.959 ( -0.918 10.952 0.000) 10.990 12.198 ( -5.764 -11.948 0.000) 13.266 12.198 ( -5.764 11.948 0.000) 13.266 16.533 ( -5.755 -1.013 0.000) 5.844 16.533 ( -5.755 1.013 0.000) 5.844 16.550 ( -4.083 -0.752 0.000) 4.152 16.550 ( -4.083 0.752 0.000) 4.152 16.969 ( -3.847 -5.772 0.000) 6.936 16.969 ( -3.847 5.772 0.000) 6.936 17.115 ( -8.765 -3.366 0.000) 9.389 17.115 ( -8.765 3.366 0.000) 9.389 17.306 ( 4.781 -0.834 0.000) 4.853 17.306 ( 4.781 0.834 0.000) 4.853 17.439 ( 2.510 -0.923 0.000) 2.674 17.439 ( 2.510 0.923 0.000) 2.674 17.748 ( 0.441 -0.615 0.000) 0.756 17.748 ( 0.441 0.615 0.000) 0.756 17.783 ( -5.831 -2.458 0.000) 6.328 17.783 ( -5.831 2.458 0.000) 6.328 18.773 ( 4.840 -9.834 0.000) 10.961 18.773 ( 4.840 9.834 0.000) 10.961 18.793 ( 1.434 -10.259 0.000) 10.358 18.793 ( 1.434 10.259 0.000) 10.358 19.751 ( 2.621 -2.098 0.000) 3.358 19.751 ( 2.621 2.098 0.000) 3.358 20.142 ( -2.406 -11.700 0.000) 11.945 20.142 ( -2.406 11.700 0.000) 11.945 107.932 ( -0.098 -0.649 0.000) 0.656 107.932 ( -0.098 0.649 0.000) 0.656 107.935 ( -0.120 -0.556 0.000) 0.569 107.935 ( -0.120 0.556 0.000) 0.569 107.985 ( 0.627 -0.396 0.000) 0.741 107.985 ( 0.627 0.396 0.000) 0.741 108.003 ( 0.290 -0.363 0.000) 0.465 108.003 ( 0.290 0.363 0.000) 0.465 ======================= Grid point 33 (19/60) ======================= q-point: ( 0.38 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( 5.336 -5.491 0.000) 7.657 1.737 ( 5.336 5.491 0.000) 7.657 1.761 ( 6.692 -4.990 0.000) 8.348 1.761 ( 6.692 4.990 0.000) 8.348 2.054 ( -0.385 -7.416 0.000) 7.426 2.054 ( -0.385 7.416 0.000) 7.426 2.161 ( -0.172 -15.148 0.000) 15.149 2.161 ( -0.172 15.148 0.000) 15.149 2.323 ( 8.494 -14.101 0.000) 16.461 2.323 ( 8.494 14.101 0.000) 16.461 2.606 ( -5.964 -5.494 0.000) 8.109 2.606 ( -5.964 5.494 0.000) 8.109 2.714 ( 2.755 -5.403 0.000) 6.065 2.714 ( 2.755 5.403 0.000) 6.065 2.843 ( -0.942 -8.674 0.000) 8.725 2.843 ( -0.942 8.674 0.000) 8.725 3.076 ( 3.593 -6.491 0.000) 7.419 3.076 ( 3.593 6.491 0.000) 7.419 3.269 ( 7.567 -3.091 0.000) 8.174 3.269 ( 7.567 3.091 0.000) 8.174 3.362 ( -2.180 -6.972 0.000) 7.305 3.362 ( -2.180 6.972 0.000) 7.305 3.368 ( 4.396 -5.911 0.000) 7.366 3.368 ( 4.396 5.911 0.000) 7.366 3.693 ( 0.766 -4.115 0.000) 4.186 3.693 ( 0.766 4.115 0.000) 4.186 3.825 ( -4.738 -3.477 0.000) 5.877 3.825 ( -4.738 3.477 0.000) 5.877 3.837 ( 3.592 -2.152 0.000) 4.187 3.837 ( 3.592 2.152 0.000) 4.187 3.934 ( 4.238 -4.572 0.000) 6.234 3.934 ( 4.238 4.572 0.000) 6.234 4.062 ( 3.811 -1.604 0.000) 4.135 4.062 ( 3.811 1.604 0.000) 4.135 4.189 ( -2.750 -6.029 0.000) 6.626 4.189 ( -2.750 6.029 0.000) 6.626 4.213 ( 3.834 -2.002 0.000) 4.325 4.213 ( 3.834 2.002 0.000) 4.325 4.375 ( -5.509 -0.342 0.000) 5.520 4.375 ( -5.509 0.342 0.000) 5.520 4.524 ( -3.054 -2.450 0.000) 3.916 4.524 ( -3.054 2.450 0.000) 3.916 4.735 ( -8.575 -2.452 0.000) 8.919 4.735 ( -8.575 2.452 0.000) 8.919 4.762 ( 3.641 -1.250 0.000) 3.849 4.762 ( 3.641 1.250 0.000) 3.849 5.008 ( -5.818 -4.842 0.000) 7.570 5.008 ( -5.818 4.842 0.000) 7.570 5.348 ( -2.644 -1.358 0.000) 2.973 5.348 ( -2.644 1.358 0.000) 2.973 5.370 ( -6.256 -6.125 0.000) 8.755 5.370 ( -6.256 6.125 0.000) 8.755 5.713 ( -4.116 -4.748 0.000) 6.284 5.713 ( -4.116 4.748 0.000) 6.284 5.819 ( -5.568 -5.550 0.000) 7.861 5.819 ( -5.568 5.550 0.000) 7.861 5.906 ( 4.149 -6.973 0.000) 8.114 5.906 ( 4.149 6.973 0.000) 8.114 6.012 ( -0.481 -3.731 0.000) 3.762 6.012 ( -0.481 3.731 0.000) 3.762 6.112 ( -0.922 -4.144 0.000) 4.245 6.112 ( -0.922 4.144 0.000) 4.245 6.369 ( -10.702 -1.213 0.000) 10.771 6.369 ( -10.702 1.213 0.000) 10.771 6.716 ( 1.574 -5.043 0.000) 5.283 6.716 ( 1.574 5.043 0.000) 5.283 6.732 ( 5.073 -2.028 0.000) 5.463 6.732 ( 5.073 2.028 0.000) 5.463 6.856 ( 2.405 -7.850 0.000) 8.210 6.856 ( 2.405 7.850 0.000) 8.210 6.961 ( -1.207 -10.095 0.000) 10.167 6.961 ( -1.207 10.095 0.000) 10.167 7.129 ( 1.817 -1.581 0.000) 2.408 7.129 ( 1.817 1.581 0.000) 2.408 7.178 ( -0.879 -1.390 0.000) 1.645 7.178 ( -0.879 1.390 0.000) 1.645 7.390 ( 9.564 -1.689 0.000) 9.712 7.390 ( 9.564 1.689 0.000) 9.712 7.493 ( 2.404 -12.959 0.000) 13.180 7.493 ( 2.404 12.959 0.000) 13.180 7.759 ( -0.034 -12.985 0.000) 12.985 7.759 ( -0.034 12.985 0.000) 12.985 7.851 ( -1.318 -6.660 0.000) 6.789 7.851 ( -1.318 6.660 0.000) 6.789 7.981 ( 1.248 -1.619 0.000) 2.044 7.981 ( 1.248 1.619 0.000) 2.044 8.007 ( 1.577 -3.803 0.000) 4.117 8.007 ( 1.577 3.803 0.000) 4.117 8.245 ( 1.711 -23.976 0.000) 24.037 8.245 ( 1.711 23.976 0.000) 24.037 8.248 ( -0.928 -10.652 0.000) 10.692 8.248 ( -0.928 10.652 0.000) 10.692 8.438 ( 3.203 -2.531 0.000) 4.082 8.438 ( 3.203 2.531 0.000) 4.082 8.740 ( -6.012 -6.817 0.000) 9.090 8.740 ( -6.012 6.817 0.000) 9.090 9.988 ( 11.288 -2.932 0.000) 11.663 9.988 ( 11.288 2.932 0.000) 11.663 10.138 ( 12.220 -1.950 0.000) 12.375 10.138 ( 12.220 1.950 0.000) 12.375 10.376 ( -6.379 -2.825 0.000) 6.977 10.376 ( -6.379 2.825 0.000) 6.977 10.624 ( -8.095 -5.555 0.000) 9.818 10.624 ( -8.095 5.555 0.000) 9.818 11.218 ( 0.029 -9.916 0.000) 9.917 11.218 ( 0.029 9.916 0.000) 9.917 11.227 ( -0.798 -11.891 0.000) 11.918 11.227 ( -0.798 11.891 0.000) 11.918 11.955 ( 0.768 -10.190 0.000) 10.219 11.955 ( 0.768 10.190 0.000) 10.219 12.081 ( -5.076 -10.281 0.000) 11.466 12.081 ( -5.076 10.281 0.000) 11.466 16.452 ( -1.922 -0.533 0.000) 1.995 16.452 ( -1.922 0.533 0.000) 1.995 16.485 ( -2.280 -0.770 0.000) 2.407 16.485 ( -2.280 0.770 0.000) 2.407 16.880 ( -3.972 -3.078 0.000) 5.025 16.880 ( -3.972 3.078 0.000) 5.025 16.923 ( -7.617 -2.547 0.000) 8.032 16.923 ( -7.617 2.547 0.000) 8.032 17.412 ( 4.126 -2.235 0.000) 4.693 17.412 ( 4.126 2.235 0.000) 4.693 17.470 ( 0.515 -1.918 0.000) 1.986 17.470 ( 0.515 1.918 0.000) 1.986 17.714 ( -0.924 -1.619 0.000) 1.864 17.714 ( -0.924 1.619 0.000) 1.864 17.752 ( -0.379 -0.942 0.000) 1.016 17.752 ( -0.379 0.942 0.000) 1.016 18.832 ( 2.137 -9.773 0.000) 10.004 18.832 ( 2.137 9.773 0.000) 10.004 18.852 ( 2.373 -9.818 0.000) 10.101 18.852 ( 2.373 9.818 0.000) 10.101 19.821 ( 4.095 -2.262 0.000) 4.678 19.821 ( 4.095 2.262 0.000) 4.678 20.050 ( -5.841 -8.214 0.000) 10.079 20.050 ( -5.841 8.214 0.000) 10.079 107.931 ( -0.020 -0.772 0.000) 0.772 107.931 ( -0.020 0.772 0.000) 0.772 107.933 ( -0.102 -0.711 0.000) 0.718 107.933 ( -0.102 0.711 0.000) 0.718 107.997 ( 0.538 -0.397 0.000) 0.668 107.997 ( 0.538 0.397 0.000) 0.668 108.007 ( 0.097 -0.373 0.000) 0.385 108.007 ( 0.097 0.373 0.000) 0.385 ======================= Grid point 35 (20/60) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( -1.290 -1.331 0.000) 1.854 1.805 ( 1.290 -1.331 0.000) 1.854 1.805 ( -1.290 1.331 0.000) 1.854 1.805 ( 1.290 1.331 0.000) 1.854 2.103 ( -4.065 -6.251 0.000) 7.456 2.103 ( 4.065 -6.251 0.000) 7.456 2.103 ( -4.065 6.251 0.000) 7.456 2.103 ( 4.065 6.251 0.000) 7.456 2.492 ( -6.284 -6.860 0.000) 9.303 2.492 ( 6.284 -6.860 0.000) 9.303 2.492 ( -6.284 6.860 0.000) 9.303 2.492 ( 6.284 6.860 0.000) 9.303 2.786 ( -3.869 -6.117 0.000) 7.238 2.786 ( 3.869 -6.117 0.000) 7.238 2.786 ( -3.869 6.117 0.000) 7.238 2.786 ( 3.869 6.117 0.000) 7.238 3.186 ( -6.861 -6.554 0.000) 9.488 3.186 ( 6.861 -6.554 0.000) 9.488 3.186 ( -6.861 6.554 0.000) 9.488 3.186 ( 6.861 6.554 0.000) 9.488 3.419 ( -0.458 -6.195 0.000) 6.212 3.419 ( 0.458 -6.195 0.000) 6.212 3.419 ( -0.458 6.195 0.000) 6.212 3.419 ( 0.458 6.195 0.000) 6.212 3.731 ( -3.514 -7.587 0.000) 8.361 3.731 ( 3.514 -7.587 0.000) 8.361 3.731 ( -3.514 7.587 0.000) 8.361 3.731 ( 3.514 7.587 0.000) 8.361 3.951 ( -4.047 -1.938 0.000) 4.487 3.951 ( -4.047 1.938 0.000) 4.487 3.951 ( 4.047 -1.938 0.000) 4.487 3.951 ( 4.047 1.938 0.000) 4.487 4.128 ( -2.293 -6.311 0.000) 6.714 4.128 ( 2.293 -6.311 0.000) 6.714 4.128 ( -2.293 6.311 0.000) 6.714 4.128 ( 2.293 6.311 0.000) 6.714 4.274 ( -3.665 -0.961 0.000) 3.789 4.274 ( -3.665 0.961 0.000) 3.789 4.274 ( 3.665 -0.961 0.000) 3.789 4.274 ( 3.665 0.961 0.000) 3.789 4.570 ( -6.501 -5.473 0.000) 8.498 4.570 ( 6.501 -5.473 0.000) 8.498 4.570 ( -6.501 5.473 0.000) 8.498 4.570 ( 6.501 5.473 0.000) 8.498 4.880 ( -6.582 -3.507 0.000) 7.458 4.880 ( 6.582 -3.507 0.000) 7.458 4.880 ( -6.582 3.507 0.000) 7.458 4.880 ( 6.582 3.507 0.000) 7.458 5.305 ( -0.361 -6.092 0.000) 6.103 5.305 ( 0.361 -6.092 0.000) 6.103 5.305 ( -0.361 6.092 0.000) 6.103 5.305 ( 0.361 6.092 0.000) 6.103 5.710 ( -3.719 -4.494 0.000) 5.833 5.710 ( 3.719 -4.494 0.000) 5.833 5.710 ( -3.719 4.494 0.000) 5.833 5.710 ( 3.719 4.494 0.000) 5.833 5.994 ( -2.352 -3.992 0.000) 4.633 5.994 ( 2.352 -3.992 0.000) 4.633 5.994 ( -2.352 3.992 0.000) 4.633 5.994 ( 2.352 3.992 0.000) 4.633 6.158 ( -6.928 -2.063 0.000) 7.229 6.158 ( -6.928 2.063 0.000) 7.229 6.158 ( 6.928 -2.063 0.000) 7.229 6.158 ( 6.928 2.063 0.000) 7.229 6.758 ( -1.602 -2.790 0.000) 3.217 6.758 ( 1.602 -2.790 0.000) 3.217 6.758 ( -1.602 2.790 0.000) 3.217 6.758 ( 1.602 2.790 0.000) 3.217 6.921 ( -3.134 -6.211 0.000) 6.957 6.921 ( 3.135 -6.211 0.000) 6.957 6.921 ( -3.134 6.211 0.000) 6.957 6.921 ( 3.135 6.211 0.000) 6.957 7.162 ( -1.045 -0.517 0.000) 1.166 7.162 ( -1.045 0.517 0.000) 1.166 7.162 ( 1.045 -0.517 0.000) 1.166 7.162 ( 1.045 0.517 0.000) 1.166 7.513 ( -1.602 -10.075 0.000) 10.202 7.513 ( 1.602 -10.075 0.000) 10.202 7.513 ( -1.602 10.075 0.000) 10.202 7.513 ( 1.602 10.075 0.000) 10.202 7.781 ( -3.326 -7.936 0.000) 8.605 7.781 ( 3.326 -7.936 0.000) 8.605 7.781 ( -3.326 7.936 0.000) 8.605 7.781 ( 3.326 7.936 0.000) 8.605 8.012 ( -1.048 -1.834 0.000) 2.112 8.012 ( 1.048 -1.834 0.000) 2.112 8.012 ( -1.048 1.834 0.000) 2.112 8.012 ( 1.048 1.834 0.000) 2.112 8.256 ( -0.678 -16.563 0.000) 16.577 8.256 ( 0.678 -16.563 0.000) 16.577 8.256 ( -0.678 16.563 0.000) 16.577 8.256 ( 0.678 16.563 0.000) 16.577 8.572 ( -8.678 -3.194 0.000) 9.247 8.572 ( -8.678 3.194 0.000) 9.247 8.572 ( 8.678 -3.194 0.000) 9.247 8.572 ( 8.678 3.194 0.000) 9.247 10.207 ( -9.350 -3.044 0.000) 9.834 10.207 ( -9.350 3.044 0.000) 9.834 10.207 ( 9.350 -3.044 0.000) 9.834 10.207 ( 9.350 3.044 0.000) 9.834 10.408 ( -12.206 -4.253 0.000) 12.926 10.408 ( -12.206 4.253 0.000) 12.926 10.408 ( 12.206 -4.253 0.000) 12.926 10.408 ( 12.206 4.253 0.000) 12.926 11.218 ( -0.118 -10.594 0.000) 10.594 11.218 ( 0.118 -10.594 0.000) 10.594 11.218 ( -0.118 10.594 0.000) 10.594 11.218 ( 0.118 10.594 0.000) 10.594 11.995 ( -3.060 -9.826 0.000) 10.292 11.995 ( 3.060 -9.826 0.000) 10.292 11.995 ( -3.060 9.826 0.000) 10.292 11.995 ( 3.060 9.826 0.000) 10.292 16.448 ( -1.171 -0.646 0.000) 1.337 16.448 ( 1.171 -0.646 0.000) 1.337 16.448 ( -1.171 0.646 0.000) 1.337 16.448 ( 1.171 0.646 0.000) 1.337 16.836 ( -0.578 -0.981 0.000) 1.139 16.836 ( 0.578 -0.981 0.000) 1.139 16.836 ( -0.578 0.981 0.000) 1.139 16.836 ( 0.578 0.981 0.000) 1.139 17.465 ( -1.089 -2.659 0.000) 2.873 17.465 ( 1.089 -2.659 0.000) 2.873 17.465 ( -1.089 2.659 0.000) 2.873 17.465 ( 1.089 2.659 0.000) 2.873 17.728 ( -1.569 -1.009 0.000) 1.865 17.728 ( 1.569 -1.009 0.000) 1.865 17.728 ( -1.569 1.009 0.000) 1.865 17.728 ( 1.569 1.009 0.000) 1.865 18.867 ( -0.813 -9.616 0.000) 9.650 18.867 ( 0.813 -9.616 0.000) 9.650 18.867 ( -0.813 9.616 0.000) 9.650 18.867 ( 0.813 9.616 0.000) 9.650 19.924 ( -5.731 -4.363 0.000) 7.203 19.924 ( 5.731 -4.363 0.000) 7.203 19.924 ( -5.731 4.363 0.000) 7.203 19.924 ( 5.731 4.363 0.000) 7.203 107.931 ( -0.052 -0.785 0.000) 0.787 107.931 ( 0.052 -0.785 0.000) 0.787 107.931 ( -0.052 0.785 0.000) 0.787 107.931 ( 0.052 0.785 0.000) 0.787 108.006 ( -0.239 -0.384 0.000) 0.452 108.006 ( 0.239 -0.384 0.000) 0.452 108.006 ( -0.239 0.384 0.000) 0.452 108.006 ( 0.239 0.384 0.000) 0.452 ======================= Grid point 63 (21/60) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.408 ( 0.000 0.000 18.904) 18.904 0.621 ( 0.000 0.000 28.916) 28.916 0.958 ( 0.000 0.000 42.603) 42.603 1.096 ( 0.000 0.000 -12.059) 12.059 1.688 ( 0.000 0.000 -14.555) 14.555 1.909 ( 0.000 0.000 1.928) 1.928 1.930 ( 0.000 0.000 0.559) 0.559 2.121 ( 0.000 0.000 -0.687) 0.687 2.146 ( 0.000 0.000 2.705) 2.705 2.150 ( 0.000 0.000 0.392) 0.392 2.468 ( 0.000 0.000 1.592) 1.592 2.479 ( 0.000 0.000 8.582) 8.582 2.597 ( 0.000 0.000 0.789) 0.789 2.684 ( 0.000 0.000 2.636) 2.636 2.735 ( 0.000 0.000 -6.158) 6.158 2.817 ( 0.000 0.000 -4.235) 4.235 2.978 ( 0.000 0.000 2.337) 2.337 3.015 ( 0.000 0.000 0.868) 0.868 3.086 ( 0.000 0.000 0.496) 0.496 3.161 ( 0.000 0.000 0.191) 0.191 3.208 ( 0.000 0.000 -9.970) 9.970 3.282 ( 0.000 0.000 4.307) 4.307 3.291 ( 0.000 0.000 -10.094) 10.094 3.383 ( 0.000 0.000 -10.690) 10.690 3.461 ( 0.000 0.000 -12.942) 12.942 3.495 ( 0.000 0.000 1.036) 1.036 3.510 ( 0.000 0.000 -3.440) 3.440 3.645 ( 0.000 0.000 -2.953) 2.953 3.741 ( 0.000 0.000 0.527) 0.527 3.751 ( 0.000 0.000 -1.036) 1.036 3.907 ( 0.000 0.000 15.680) 15.680 3.911 ( 0.000 0.000 1.533) 1.533 3.943 ( 0.000 0.000 0.032) 0.032 4.038 ( 0.000 0.000 2.632) 2.632 4.044 ( 0.000 0.000 1.679) 1.679 4.056 ( 0.000 0.000 0.434) 0.434 4.167 ( 0.000 0.000 -4.295) 4.295 4.372 ( 0.000 0.000 4.602) 4.602 4.558 ( 0.000 0.000 -0.252) 0.252 4.616 ( 0.000 0.000 -6.013) 6.013 4.686 ( 0.000 0.000 3.378) 3.378 4.720 ( 0.000 0.000 1.040) 1.040 4.853 ( 0.000 0.000 -3.813) 3.813 5.090 ( 0.000 0.000 11.469) 11.469 5.092 ( 0.000 0.000 -10.927) 10.927 5.106 ( 0.000 0.000 1.299) 1.299 5.331 ( 0.000 0.000 -2.059) 2.059 5.344 ( 0.000 0.000 -6.480) 6.480 5.371 ( 0.000 0.000 -0.829) 0.829 5.432 ( 0.000 0.000 -2.767) 2.767 5.652 ( 0.000 0.000 2.788) 2.788 5.731 ( 0.000 0.000 -1.526) 1.526 5.749 ( 0.000 0.000 1.611) 1.611 5.793 ( 0.000 0.000 5.217) 5.217 5.877 ( 0.000 0.000 7.586) 7.586 5.891 ( 0.000 0.000 1.804) 1.804 5.919 ( 0.000 0.000 2.281) 2.281 5.967 ( 0.000 0.000 0.575) 0.575 5.995 ( 0.000 0.000 5.057) 5.057 6.135 ( 0.000 0.000 -3.489) 3.489 6.203 ( 0.000 0.000 -12.387) 12.387 6.228 ( 0.000 0.000 -3.857) 3.857 6.391 ( 0.000 0.000 0.565) 0.565 6.416 ( 0.000 0.000 2.007) 2.007 6.457 ( 0.000 0.000 4.306) 4.306 6.580 ( 0.000 0.000 1.032) 1.032 6.619 ( 0.000 0.000 0.065) 0.065 6.657 ( 0.000 0.000 3.082) 3.082 6.675 ( 0.000 0.000 -3.338) 3.338 6.687 ( 0.000 0.000 -0.651) 0.651 6.766 ( 0.000 0.000 3.387) 3.387 6.806 ( 0.000 0.000 3.288) 3.288 6.865 ( 0.000 0.000 0.035) 0.035 6.917 ( 0.000 0.000 3.750) 3.750 7.019 ( 0.000 0.000 -4.091) 4.091 7.050 ( 0.000 0.000 9.659) 9.659 7.066 ( 0.000 0.000 -4.391) 4.391 7.307 ( 0.000 0.000 3.750) 3.750 7.357 ( 0.000 0.000 8.302) 8.302 7.372 ( 0.000 0.000 -4.093) 4.093 7.690 ( 0.000 0.000 -5.380) 5.380 7.704 ( 0.000 0.000 0.509) 0.509 7.718 ( 0.000 0.000 -3.166) 3.166 7.721 ( 0.000 0.000 0.379) 0.379 7.795 ( 0.000 0.000 1.962) 1.962 7.815 ( 0.000 0.000 -0.677) 0.677 7.917 ( 0.000 0.000 -3.815) 3.815 7.929 ( 0.000 0.000 -0.379) 0.379 7.938 ( 0.000 0.000 -2.964) 2.964 7.989 ( 0.000 0.000 -2.073) 2.073 8.731 ( 0.000 0.000 5.023) 5.023 8.940 ( 0.000 0.000 -0.066) 0.066 9.153 ( 0.000 0.000 3.409) 3.409 9.297 ( 0.000 0.000 -9.908) 9.908 9.303 ( 0.000 0.000 -6.597) 6.597 9.507 ( 0.000 0.000 -8.045) 8.045 9.698 ( 0.000 0.000 7.652) 7.652 9.890 ( 0.000 0.000 6.688) 6.688 10.004 ( 0.000 0.000 2.548) 2.548 10.126 ( 0.000 0.000 6.192) 6.192 10.182 ( 0.000 0.000 -4.556) 4.556 10.545 ( 0.000 0.000 2.758) 2.758 10.656 ( 0.000 0.000 -6.786) 6.786 10.806 ( 0.000 0.000 -2.983) 2.983 10.902 ( 0.000 0.000 5.330) 5.330 10.998 ( 0.000 0.000 5.409) 5.409 11.112 ( 0.000 0.000 -2.947) 2.947 11.167 ( 0.000 0.000 -2.292) 2.292 11.797 ( 0.000 0.000 0.853) 0.853 11.856 ( 0.000 0.000 -1.375) 1.375 12.226 ( 0.000 0.000 0.388) 0.388 12.240 ( 0.000 0.000 -0.182) 0.182 16.583 ( 0.000 0.000 2.771) 2.771 16.608 ( 0.000 0.000 1.080) 1.080 16.798 ( 0.000 0.000 -0.988) 0.988 16.837 ( 0.000 0.000 -3.501) 3.501 16.876 ( 0.000 0.000 -1.818) 1.818 17.030 ( 0.000 0.000 -7.463) 7.463 17.144 ( 0.000 0.000 9.222) 9.222 17.182 ( 0.000 0.000 4.657) 4.657 17.205 ( 0.000 0.000 4.074) 4.074 17.353 ( 0.000 0.000 -1.467) 1.467 17.388 ( 0.000 0.000 -2.345) 2.345 17.453 ( 0.000 0.000 4.071) 4.071 17.526 ( 0.000 0.000 -5.874) 5.874 17.599 ( 0.000 0.000 -1.774) 1.774 17.628 ( 0.000 0.000 3.444) 3.444 17.882 ( 0.000 0.000 -5.010) 5.010 18.284 ( 0.000 0.000 -0.952) 0.952 18.301 ( 0.000 0.000 -4.433) 4.433 18.850 ( 0.000 0.000 9.118) 9.118 19.124 ( 0.000 0.000 -3.117) 3.117 19.672 ( 0.000 0.000 1.601) 1.601 19.755 ( 0.000 0.000 -1.455) 1.455 20.530 ( 0.000 0.000 0.674) 0.674 20.567 ( 0.000 0.000 -0.730) 0.730 107.916 ( 0.000 0.000 0.181) 0.181 107.927 ( 0.000 0.000 -0.263) 0.263 107.932 ( 0.000 0.000 0.056) 0.056 107.933 ( 0.000 0.000 0.029) 0.029 107.959 ( 0.000 0.000 0.042) 0.042 107.965 ( 0.000 0.000 -0.239) 0.239 107.999 ( 0.000 0.000 0.578) 0.578 108.024 ( 0.000 0.000 -0.389) 0.389 ======================= Grid point 64 (22/60) ======================= q-point: ( 0.12 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.614 ( 16.281 0.000 11.100) 19.704 0.699 ( 14.487 0.000 17.338) 22.594 1.130 ( 3.312 0.000 -10.196) 10.720 1.385 ( 28.022 0.000 25.620) 37.968 1.729 ( 2.913 0.000 -14.872) 15.155 1.783 ( -8.769 0.000 3.546) 9.459 1.897 ( -3.709 0.000 -0.729) 3.780 2.158 ( 8.713 0.000 -0.169) 8.714 2.233 ( 5.513 0.000 5.236) 7.603 2.326 ( 10.526 0.000 3.447) 11.076 2.448 ( 2.386 0.000 8.350) 8.685 2.525 ( -5.614 0.000 2.390) 6.102 2.584 ( 5.085 0.000 0.715) 5.135 2.635 ( -2.207 0.000 5.235) 5.681 2.786 ( -3.555 0.000 -6.210) 7.156 2.831 ( 7.069 0.000 -5.506) 8.960 2.906 ( -4.495 0.000 -3.572) 5.741 3.053 ( 2.948 0.000 4.503) 5.382 3.088 ( -0.087 0.000 -1.746) 1.748 3.163 ( -5.135 0.000 -3.075) 5.985 3.208 ( 2.916 0.000 -2.710) 3.981 3.231 ( -1.263 0.000 0.134) 1.270 3.279 ( 2.683 0.000 -8.447) 8.862 3.411 ( -1.429 0.000 -0.873) 1.675 3.512 ( 1.973 0.000 -5.320) 5.674 3.517 ( 1.531 0.000 -18.377) 18.440 3.606 ( 6.689 0.000 -1.552) 6.866 3.689 ( -2.523 0.000 4.751) 5.380 3.696 ( 4.710 0.000 -4.375) 6.428 3.755 ( 1.247 0.000 -2.899) 3.155 3.798 ( -5.067 0.000 4.848) 7.013 3.884 ( -4.118 0.000 2.230) 4.683 3.954 ( 2.666 0.000 9.803) 10.159 4.061 ( 0.827 0.000 2.634) 2.760 4.097 ( 3.510 0.000 1.798) 3.944 4.139 ( 6.140 0.000 1.301) 6.276 4.204 ( 1.948 0.000 -2.816) 3.424 4.321 ( -3.373 0.000 4.316) 5.478 4.528 ( -1.234 0.000 -0.671) 1.405 4.570 ( -4.614 0.000 -3.074) 5.544 4.655 ( -1.999 0.000 -1.002) 2.236 4.726 ( -0.678 0.000 -0.655) 0.943 4.806 ( -4.806 0.000 -5.722) 7.472 5.022 ( -4.830 0.000 -5.082) 7.011 5.062 ( -3.244 0.000 1.050) 3.410 5.088 ( -1.949 0.000 3.468) 3.979 5.218 ( -5.953 0.000 -3.850) 7.090 5.233 ( -8.211 0.000 -0.749) 8.245 5.354 ( -1.497 0.000 -0.535) 1.589 5.396 ( -1.708 0.000 -1.027) 1.993 5.609 ( -3.466 0.000 3.504) 4.929 5.688 ( -4.592 0.000 -1.180) 4.741 5.745 ( 0.694 0.000 3.265) 3.338 5.796 ( -0.506 0.000 0.811) 0.956 5.845 ( -4.390 0.000 6.237) 7.627 5.879 ( -0.952 0.000 3.163) 3.303 5.911 ( -2.805 0.000 4.888) 5.636 5.918 ( 0.010 0.000 3.051) 3.051 6.111 ( -2.124 0.000 -3.601) 4.181 6.124 ( 4.371 0.000 -2.142) 4.867 6.219 ( 1.506 0.000 -11.424) 11.523 6.235 ( -1.590 0.000 -6.091) 6.295 6.362 ( -3.715 0.000 2.241) 4.338 6.460 ( 1.834 0.000 4.184) 4.568 6.494 ( -0.939 0.000 -0.850) 1.267 6.575 ( 3.956 0.000 -1.746) 4.325 6.598 ( -2.737 0.000 -2.957) 4.030 6.617 ( -1.718 0.000 4.294) 4.625 6.701 ( 3.505 0.000 -1.442) 3.790 6.736 ( 2.164 0.000 0.699) 2.274 6.828 ( -3.250 0.000 1.159) 3.450 6.840 ( 4.993 0.000 3.065) 5.859 6.854 ( 4.046 0.000 2.192) 4.602 6.993 ( 5.515 0.000 -4.976) 7.428 7.016 ( 0.165 0.000 3.001) 3.005 7.060 ( 3.976 0.000 0.284) 3.987 7.226 ( -2.725 0.000 8.928) 9.335 7.232 ( 11.714 0.000 1.372) 11.794 7.373 ( -5.354 0.000 -0.037) 5.354 7.470 ( 8.603 0.000 -4.211) 9.578 7.508 ( -5.965 0.000 0.049) 5.965 7.676 ( -5.620 0.000 2.603) 6.193 7.707 ( 0.244 0.000 0.528) 0.582 7.725 ( 0.411 0.000 0.126) 0.430 7.806 ( 0.486 0.000 -2.000) 2.058 7.807 ( 1.103 0.000 1.513) 1.873 7.918 ( -1.663 0.000 -2.555) 3.049 7.958 ( 5.777 0.000 -1.084) 5.878 7.991 ( 4.458 0.000 -3.044) 5.398 8.110 ( 3.934 0.000 -7.139) 8.151 8.875 ( 10.325 0.000 2.517) 10.628 8.927 ( -3.580 0.000 3.040) 4.696 9.187 ( 2.816 0.000 1.343) 3.120 9.235 ( -3.510 0.000 3.576) 5.011 9.374 ( 3.223 0.000 -5.525) 6.397 9.462 ( -4.407 0.000 -6.448) 7.810 9.682 ( 1.382 0.000 7.822) 7.943 9.753 ( -0.723 0.000 8.377) 8.408 10.038 ( 3.050 0.000 2.208) 3.765 10.095 ( -1.931 0.000 3.274) 3.801 10.191 ( 0.879 0.000 -3.902) 4.000 10.404 ( -9.025 0.000 -2.895) 9.479 10.581 ( -2.436 0.000 4.509) 5.125 10.794 ( -1.530 0.000 -2.910) 3.287 10.877 ( -3.817 0.000 10.001) 10.704 10.888 ( -1.320 0.000 4.987) 5.159 11.089 ( -2.179 0.000 -2.894) 3.623 11.361 ( 1.868 0.000 -13.985) 14.110 11.797 ( 0.031 0.000 0.764) 0.764 11.850 ( -0.559 0.000 -1.214) 1.336 12.226 ( 0.071 0.000 0.354) 0.361 12.240 ( -0.027 0.000 -0.175) 0.177 16.550 ( -1.940 0.000 0.701) 2.063 16.608 ( -1.556 0.000 -0.308) 1.586 16.717 ( -5.016 0.000 1.936) 5.377 16.798 ( -8.615 0.000 3.568) 9.324 16.844 ( -1.032 0.000 2.019) 2.267 17.005 ( 1.357 0.000 -3.660) 3.904 17.017 ( -3.539 0.000 0.790) 3.626 17.198 ( 3.577 0.000 -3.807) 5.224 17.241 ( -9.520 0.000 -8.009) 12.441 17.314 ( -3.787 0.000 -3.639) 5.251 17.417 ( 9.043 0.000 8.188) 12.199 17.488 ( 2.436 0.000 4.973) 5.537 17.501 ( -4.293 0.000 3.344) 5.442 17.603 ( 0.304 0.000 -0.686) 0.750 17.651 ( 2.901 0.000 1.037) 3.080 17.840 ( -3.369 0.000 -4.726) 5.803 18.335 ( 4.907 0.000 0.068) 4.908 18.416 ( 5.635 0.000 -2.548) 6.184 18.962 ( 7.537 0.000 0.520) 7.555 19.135 ( 1.119 0.000 -2.357) 2.609 19.676 ( 0.489 0.000 1.754) 1.821 19.769 ( 1.139 0.000 -1.632) 1.991 20.135 ( -11.218 0.000 19.230) 22.263 20.820 ( -0.550 0.000 -17.595) 17.604 107.912 ( -0.290 0.000 0.153) 0.328 107.920 ( -0.409 0.000 -0.146) 0.434 107.938 ( 0.414 0.000 0.039) 0.416 107.940 ( 0.431 0.000 -0.044) 0.433 107.964 ( 0.482 0.000 0.074) 0.488 107.978 ( 0.740 0.000 -0.674) 1.002 108.001 ( 0.144 0.000 0.494) 0.514 108.019 ( -0.229 0.000 -0.037) 0.232 ======================= Grid point 65 (23/60) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( 16.980 0.000 4.216) 17.496 1.119 ( 22.512 0.000 0.537) 22.518 1.237 ( 7.060 0.000 -6.492) 9.591 1.614 ( -6.087 0.000 5.865) 8.453 1.697 ( 4.130 0.000 -17.118) 17.610 1.818 ( -2.856 0.000 -1.970) 3.470 2.036 ( 22.740 0.000 16.884) 28.323 2.213 ( -5.038 0.000 9.917) 11.123 2.333 ( -10.630 0.000 2.714) 10.971 2.424 ( 13.641 0.000 1.749) 13.752 2.505 ( -6.365 0.000 7.521) 9.853 2.543 ( 11.013 0.000 6.474) 12.775 2.588 ( -9.933 0.000 -7.091) 12.205 2.711 ( 16.626 0.000 -3.100) 16.912 2.822 ( 6.416 0.000 2.018) 6.726 2.854 ( -1.288 0.000 -6.804) 6.925 2.967 ( -0.762 0.000 -11.174) 11.200 3.034 ( -4.120 0.000 -4.756) 6.293 3.056 ( 2.958 0.000 -0.371) 2.982 3.100 ( 0.407 0.000 2.194) 2.231 3.238 ( -3.027 0.000 -5.085) 5.918 3.283 ( 4.976 0.000 -0.844) 5.047 3.362 ( -0.936 0.000 4.109) 4.214 3.362 ( 9.831 0.000 0.263) 9.834 3.504 ( -0.537 0.000 -2.305) 2.367 3.584 ( 3.379 0.000 -2.530) 4.221 3.680 ( 2.251 0.000 2.106) 3.083 3.714 ( -0.848 0.000 2.561) 2.698 3.756 ( 6.067 0.000 -0.213) 6.071 3.802 ( 2.820 0.000 -6.043) 6.668 3.820 ( -0.099 0.000 -0.279) 0.296 3.894 ( 9.116 0.000 -2.071) 9.348 4.021 ( 4.186 0.000 8.004) 9.032 4.082 ( 1.913 0.000 4.178) 4.595 4.154 ( 1.218 0.000 4.478) 4.641 4.202 ( -2.258 0.000 -1.524) 2.724 4.250 ( 3.804 0.000 0.021) 3.804 4.259 ( -3.132 0.000 1.019) 3.294 4.437 ( -6.587 0.000 -1.515) 6.759 4.550 ( 2.397 0.000 -3.218) 4.012 4.614 ( -2.129 0.000 -5.986) 6.353 4.653 ( -6.050 0.000 0.584) 6.078 4.696 ( -3.764 0.000 -4.687) 6.011 4.906 ( -5.848 0.000 -8.564) 10.370 4.979 ( -9.559 0.000 3.069) 10.040 4.985 ( -4.241 0.000 3.623) 5.578 5.064 ( -6.089 0.000 -0.175) 6.092 5.122 ( -4.347 0.000 -4.016) 5.918 5.304 ( -3.567 0.000 0.139) 3.570 5.369 ( -0.388 0.000 0.197) 0.435 5.520 ( -5.541 0.000 2.480) 6.070 5.575 ( -3.995 0.000 3.192) 5.114 5.707 ( -7.105 0.000 9.752) 12.066 5.773 ( -0.657 0.000 -0.090) 0.663 5.786 ( 1.545 0.000 0.330) 1.580 5.860 ( -2.886 0.000 1.278) 3.156 5.863 ( -0.303 0.000 3.884) 3.896 5.931 ( 1.643 0.000 5.065) 5.325 6.062 ( -1.855 0.000 -3.569) 4.022 6.123 ( -3.062 0.000 -0.562) 3.113 6.205 ( -3.315 0.000 -5.225) 6.187 6.257 ( 1.821 0.000 -9.334) 9.510 6.280 ( 0.052 0.000 -7.639) 7.639 6.435 ( -6.634 0.000 -1.975) 6.921 6.474 ( -7.691 0.000 1.181) 7.781 6.487 ( -0.354 0.000 0.592) 0.689 6.584 ( -1.632 0.000 5.387) 5.628 6.645 ( 0.652 0.000 -2.084) 2.184 6.733 ( -0.933 0.000 -0.118) 0.941 6.736 ( -2.536 0.000 -0.696) 2.629 6.829 ( 3.480 0.000 -0.044) 3.480 6.916 ( 2.355 0.000 -1.466) 2.774 6.959 ( 5.746 0.000 3.934) 6.964 7.014 ( -1.303 0.000 -3.686) 3.910 7.058 ( 3.262 0.000 3.957) 5.128 7.174 ( 5.275 0.000 -3.859) 6.536 7.194 ( -6.928 0.000 1.039) 7.005 7.286 ( 6.432 0.000 7.465) 9.854 7.454 ( 0.170 0.000 1.501) 1.511 7.499 ( 12.380 0.000 -0.516) 12.391 7.638 ( -0.041 0.000 10.631) 10.631 7.668 ( 7.518 0.000 -3.411) 8.256 7.719 ( 1.451 0.000 0.630) 1.582 7.745 ( 2.491 0.000 -1.151) 2.744 7.798 ( -1.203 0.000 0.424) 1.276 7.841 ( 2.256 0.000 0.328) 2.280 7.882 ( -1.288 0.000 -1.835) 2.242 8.001 ( -2.629 0.000 -3.935) 4.732 8.110 ( 8.019 0.000 -0.580) 8.040 8.210 ( 6.378 0.000 -4.167) 7.619 8.754 ( -9.959 0.000 10.798) 14.689 9.011 ( 1.946 0.000 4.197) 4.626 9.197 ( -2.929 0.000 -6.952) 7.544 9.264 ( 3.985 0.000 -2.030) 4.472 9.371 ( -4.039 0.000 -0.642) 4.089 9.449 ( 3.300 0.000 -6.113) 6.947 9.821 ( 10.673 0.000 3.972) 11.388 9.883 ( 10.939 0.000 -0.762) 10.966 10.050 ( 0.082 0.000 6.253) 6.253 10.119 ( 4.338 0.000 1.543) 4.605 10.217 ( 1.453 0.000 -2.199) 2.636 10.299 ( -0.701 0.000 -2.981) 3.062 10.511 ( -4.501 0.000 4.897) 6.652 10.733 ( -4.504 0.000 -2.109) 4.974 10.788 ( -5.137 0.000 7.378) 8.990 10.854 ( -1.674 0.000 3.880) 4.226 11.024 ( -3.857 0.000 -2.642) 4.675 11.265 ( -9.484 0.000 -10.369) 14.052 11.799 ( 0.125 0.000 0.539) 0.554 11.835 ( -0.735 0.000 -0.838) 1.115 12.228 ( 0.119 0.000 0.263) 0.288 12.239 ( -0.077 0.000 -0.141) 0.160 16.507 ( -2.425 0.000 -0.475) 2.471 16.551 ( -2.823 0.000 -2.092) 3.514 16.597 ( -8.417 0.000 4.279) 9.442 16.631 ( -3.544 0.000 4.662) 5.856 16.821 ( -2.565 0.000 5.064) 5.677 16.957 ( -0.374 0.000 2.872) 2.896 17.017 ( -8.219 0.000 -8.950) 12.151 17.086 ( 0.924 0.000 -10.730) 10.769 17.200 ( -4.500 0.000 -4.645) 6.467 17.311 ( 4.258 0.000 -4.974) 6.548 17.388 ( -4.623 0.000 5.628) 7.284 17.511 ( -0.270 0.000 4.427) 4.435 17.579 ( 3.709 0.000 2.240) 4.333 17.615 ( 0.763 0.000 -0.163) 0.780 17.669 ( -0.134 0.000 3.626) 3.628 17.797 ( 0.137 0.000 1.054) 1.063 18.454 ( 5.881 0.000 1.324) 6.028 18.518 ( 4.471 0.000 1.111) 4.607 19.102 ( 5.583 0.000 -2.204) 6.003 19.169 ( 1.883 0.000 -1.527) 2.424 19.701 ( 2.065 0.000 1.397) 2.493 19.791 ( 0.802 0.000 -1.827) 1.995 20.007 ( -2.785 0.000 13.571) 13.854 20.653 ( -12.708 0.000 -13.217) 18.335 107.906 ( -0.220 0.000 0.115) 0.248 107.912 ( -0.336 0.000 -0.099) 0.351 107.947 ( 0.401 0.000 0.029) 0.402 107.949 ( 0.359 0.000 -0.044) 0.361 107.977 ( 0.633 0.000 0.120) 0.644 107.990 ( 0.445 0.000 -0.444) 0.629 108.005 ( 0.279 0.000 0.331) 0.433 108.017 ( 0.083 0.000 -0.080) 0.115 ======================= Grid point 66 (24/60) ======================= q-point: ( 0.38 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( 7.261 0.000 2.562) 7.699 1.374 ( 1.605 0.000 -2.140) 2.675 1.564 ( 18.785 0.000 -5.556) 19.589 1.634 ( 10.981 0.000 2.787) 11.330 1.809 ( 2.431 0.000 -1.822) 3.038 1.824 ( 9.112 0.000 -14.182) 16.857 2.073 ( -7.493 0.000 5.570) 9.337 2.122 ( -8.747 0.000 3.352) 9.367 2.337 ( 1.404 0.000 3.013) 3.324 2.350 ( -9.780 0.000 -1.534) 9.900 2.408 ( -4.733 0.000 0.119) 4.735 2.623 ( -14.503 0.000 -0.875) 14.529 2.663 ( 7.403 0.000 2.741) 7.894 2.720 ( 7.327 0.000 -0.240) 7.331 2.839 ( 0.806 0.000 -3.390) 3.485 2.969 ( -0.188 0.000 -1.929) 1.938 3.004 ( 3.478 0.000 -1.026) 3.627 3.024 ( 5.887 0.000 -3.245) 6.722 3.089 ( -1.198 0.000 2.978) 3.210 3.251 ( 9.023 0.000 1.103) 9.090 3.262 ( -3.599 0.000 -0.873) 3.703 3.330 ( 15.003 0.000 -3.766) 15.468 3.502 ( -0.575 0.000 8.581) 8.601 3.505 ( 7.587 0.000 0.196) 7.590 3.525 ( 3.174 0.000 -0.815) 3.277 3.684 ( -0.105 0.000 4.035) 4.037 3.694 ( 8.639 0.000 2.415) 8.970 3.776 ( 7.622 0.000 -0.394) 7.632 3.825 ( 0.319 0.000 -1.650) 1.681 3.844 ( -0.014 0.000 -6.008) 6.008 3.874 ( 4.298 0.000 0.322) 4.310 4.074 ( 4.960 0.000 -2.039) 5.363 4.079 ( -2.627 0.000 1.202) 2.889 4.104 ( -5.412 0.000 0.646) 5.451 4.159 ( -4.747 0.000 0.114) 4.748 4.161 ( 5.302 0.000 0.448) 5.321 4.214 ( 4.501 0.000 3.956) 5.992 4.267 ( -0.746 0.000 1.118) 1.344 4.323 ( -2.750 0.000 -0.467) 2.790 4.536 ( -3.816 0.000 1.494) 4.099 4.546 ( -3.884 0.000 -4.516) 5.956 4.626 ( 4.209 0.000 -1.662) 4.525 4.699 ( 3.323 0.000 -3.205) 4.617 4.738 ( -11.415 0.000 4.648) 12.325 4.814 ( -2.696 0.000 -7.889) 8.336 4.897 ( -3.542 0.000 6.056) 7.015 4.947 ( -5.656 0.000 -2.980) 6.393 5.012 ( -6.403 0.000 -1.222) 6.519 5.220 ( -3.748 0.000 2.394) 4.447 5.310 ( -6.355 0.000 5.848) 8.637 5.468 ( 3.218 0.000 4.229) 5.314 5.558 ( 1.682 0.000 2.662) 3.149 5.630 ( 1.077 0.000 9.676) 9.735 5.762 ( -0.027 0.000 1.369) 1.369 5.793 ( -0.792 0.000 1.091) 1.348 5.796 ( -2.997 0.000 -4.724) 5.594 5.869 ( 0.802 0.000 1.030) 1.305 5.939 ( -1.814 0.000 1.918) 2.640 5.986 ( -12.092 0.000 2.619) 12.373 6.088 ( -7.072 0.000 -8.008) 10.684 6.107 ( 6.382 0.000 -1.277) 6.508 6.257 ( -7.104 0.000 -0.636) 7.132 6.275 ( -5.576 0.000 1.370) 5.741 6.282 ( 0.174 0.000 -6.936) 6.938 6.358 ( 2.789 0.000 -9.749) 10.140 6.473 ( -1.355 0.000 -3.476) 3.730 6.552 ( -1.058 0.000 4.275) 4.404 6.641 ( 0.522 0.000 -0.016) 0.522 6.648 ( -5.068 0.000 0.177) 5.071 6.766 ( 1.235 0.000 -8.632) 8.720 6.794 ( -3.026 0.000 -4.389) 5.331 6.925 ( -1.682 0.000 -8.565) 8.729 7.050 ( 2.943 0.000 2.755) 4.031 7.071 ( 4.385 0.000 4.934) 6.601 7.107 ( -1.378 0.000 -0.781) 1.584 7.119 ( 2.013 0.000 4.690) 5.104 7.311 ( 5.768 0.000 -1.290) 5.910 7.370 ( 2.831 0.000 -0.106) 2.833 7.512 ( 2.947 0.000 8.483) 8.980 7.649 ( 2.078 0.000 13.608) 13.766 7.676 ( 3.399 0.000 -1.587) 3.751 7.717 ( 0.238 0.000 -1.302) 1.323 7.751 ( -3.087 0.000 3.794) 4.891 7.767 ( 3.617 0.000 1.112) 3.784 7.830 ( 1.009 0.000 -0.042) 1.010 7.901 ( 3.903 0.000 -2.383) 4.573 7.911 ( -5.314 0.000 1.906) 5.646 7.915 ( 4.300 0.000 -3.903) 5.807 8.283 ( 7.145 0.000 -0.979) 7.212 8.361 ( 7.356 0.000 0.329) 7.363 8.601 ( -2.776 0.000 3.442) 4.422 9.009 ( -5.321 0.000 0.033) 5.322 9.060 ( -5.421 0.000 -5.508) 7.728 9.209 ( -7.700 0.000 -0.824) 7.744 9.378 ( 4.734 0.000 -1.391) 4.935 9.499 ( 0.693 0.000 -7.316) 7.349 10.036 ( 8.225 0.000 7.704) 11.270 10.152 ( 13.085 0.000 1.177) 13.138 10.202 ( 3.329 0.000 1.160) 3.526 10.204 ( 13.434 0.000 -0.013) 13.434 10.245 ( 1.049 0.000 -0.198) 1.068 10.348 ( 3.979 0.000 -0.758) 4.050 10.409 ( -2.904 0.000 2.990) 4.168 10.607 ( -7.419 0.000 0.720) 7.454 10.655 ( -7.690 0.000 1.716) 7.879 10.831 ( -0.112 0.000 1.898) 1.902 10.936 ( -4.301 0.000 -1.936) 4.717 11.000 ( -15.387 0.000 -7.119) 16.954 11.803 ( 0.267 0.000 0.251) 0.367 11.821 ( -0.614 0.000 -0.430) 0.750 12.231 ( 0.139 0.000 0.146) 0.201 12.237 ( -0.122 0.000 -0.071) 0.141 16.458 ( -1.563 0.000 0.301) 1.592 16.470 ( -3.211 0.000 1.672) 3.620 16.500 ( -2.490 0.000 -0.007) 2.490 16.555 ( -4.380 0.000 1.927) 4.785 16.782 ( 0.153 0.000 -0.333) 0.366 16.884 ( -2.279 0.000 -3.274) 3.989 16.931 ( -3.786 0.000 -3.225) 4.973 17.049 ( -5.321 0.000 -3.561) 6.402 17.167 ( 2.483 0.000 3.532) 4.317 17.345 ( -2.001 0.000 2.233) 2.998 17.357 ( 1.931 0.000 -1.926) 2.728 17.522 ( 2.260 0.000 -1.034) 2.486 17.529 ( -4.827 0.000 -6.081) 7.764 17.618 ( -0.744 0.000 -1.479) 1.656 17.738 ( 4.034 0.000 8.881) 9.754 17.812 ( 0.450 0.000 5.319) 5.338 18.562 ( 4.211 0.000 1.987) 4.656 18.598 ( 2.749 0.000 2.269) 3.564 19.188 ( 2.628 0.000 -2.669) 3.745 19.208 ( 1.662 0.000 -1.559) 2.279 19.759 ( 3.008 0.000 0.298) 3.023 19.802 ( 0.258 0.000 -1.180) 1.208 19.993 ( 1.776 0.000 6.420) 6.661 20.362 ( -14.016 0.000 -7.711) 15.997 107.903 ( -0.078 0.000 0.066) 0.102 107.906 ( -0.219 0.000 -0.048) 0.224 107.953 ( 0.244 0.000 0.009) 0.244 107.954 ( 0.194 0.000 -0.027) 0.196 107.988 ( 0.457 0.000 0.117) 0.472 107.996 ( 0.119 0.000 -0.139) 0.183 108.012 ( 0.362 0.000 0.118) 0.380 108.020 ( 0.060 0.000 -0.124) 0.138 ======================= Grid point 67 (25/60) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( -3.390 0.000 2.537) 4.234 1.339 ( 3.390 0.000 2.537) 4.234 1.846 ( -4.731 0.000 -3.213) 5.719 1.846 ( 4.731 0.000 -3.213) 5.719 1.859 ( -9.974 0.000 -4.271) 10.850 1.859 ( 9.974 0.000 -4.271) 10.850 2.108 ( -11.370 0.000 1.041) 11.418 2.108 ( 11.370 0.000 1.041) 11.418 2.130 ( -14.883 0.000 -8.306) 17.044 2.130 ( 14.883 0.000 -8.306) 17.044 2.399 ( -4.682 0.000 1.436) 4.897 2.399 ( 4.682 0.000 1.436) 4.897 2.818 ( -5.541 0.000 4.501) 7.138 2.818 ( 5.541 0.000 4.501) 7.138 2.872 ( -6.102 0.000 -1.127) 6.205 2.872 ( 6.102 0.000 -1.127) 6.205 3.050 ( -2.089 0.000 1.433) 2.533 3.050 ( 2.089 0.000 1.433) 2.533 3.165 ( -5.726 0.000 -2.423) 6.218 3.165 ( 5.726 0.000 -2.423) 6.218 3.414 ( -6.167 0.000 6.160) 8.716 3.414 ( 6.167 0.000 6.160) 8.716 3.563 ( -1.732 0.000 0.760) 1.892 3.563 ( 1.733 0.000 0.760) 1.892 3.670 ( -14.382 0.000 -5.257) 15.312 3.670 ( 14.382 0.000 -5.257) 15.312 3.781 ( -5.351 0.000 -3.495) 6.391 3.781 ( 5.351 0.000 -3.495) 6.391 3.874 ( -8.054 0.000 1.785) 8.249 3.874 ( 8.054 0.000 1.785) 8.249 3.987 ( -7.507 0.000 5.308) 9.194 3.987 ( 7.507 0.000 5.308) 9.194 4.006 ( -5.197 0.000 -2.173) 5.633 4.006 ( 5.197 0.000 -2.173) 5.633 4.174 ( -4.690 0.000 -0.926) 4.781 4.174 ( 4.690 0.000 -0.926) 4.781 4.283 ( -3.228 0.000 -4.848) 5.825 4.283 ( 3.228 0.000 -4.848) 5.825 4.423 ( -7.519 0.000 3.744) 8.400 4.423 ( 7.519 0.000 3.744) 8.400 4.533 ( -6.068 0.000 5.445) 8.153 4.533 ( 6.068 0.000 5.445) 8.153 4.732 ( -3.757 0.000 0.450) 3.784 4.732 ( 3.757 0.000 0.450) 3.784 4.838 ( -4.178 0.000 -5.364) 6.799 4.838 ( 4.178 0.000 -5.364) 6.799 4.879 ( -4.266 0.000 0.189) 4.270 4.879 ( 4.266 0.000 0.189) 4.270 5.202 ( -2.788 0.000 7.352) 7.863 5.202 ( 2.788 0.000 7.352) 7.863 5.583 ( -3.987 0.000 3.589) 5.365 5.583 ( 3.987 0.000 3.589) 5.365 5.697 ( -6.865 0.000 4.731) 8.337 5.697 ( 6.865 0.000 4.731) 8.337 5.772 ( -0.906 0.000 1.994) 2.190 5.772 ( 0.906 0.000 1.994) 2.190 5.877 ( -8.368 0.000 -5.467) 9.995 5.877 ( 8.368 0.000 -5.467) 9.995 5.896 ( -1.806 0.000 0.539) 1.884 5.896 ( 1.806 0.000 0.539) 1.884 6.211 ( -0.899 0.000 -0.528) 1.043 6.211 ( 0.899 0.000 -0.528) 1.043 6.239 ( -4.714 0.000 -3.761) 6.030 6.239 ( 4.714 0.000 -3.761) 6.030 6.427 ( -3.026 0.000 -7.709) 8.282 6.427 ( 3.026 0.000 -7.709) 8.282 6.561 ( -2.440 0.000 2.232) 3.307 6.561 ( 2.440 0.000 2.232) 3.307 6.685 ( -3.684 0.000 -4.002) 5.439 6.685 ( 3.684 0.000 -4.002) 5.439 6.858 ( -4.108 0.000 -10.168) 10.967 6.858 ( 4.108 0.000 -10.168) 10.967 7.090 ( -1.055 0.000 0.956) 1.424 7.090 ( 1.055 0.000 0.956) 1.424 7.129 ( -1.140 0.000 5.055) 5.182 7.129 ( 1.140 0.000 5.055) 5.182 7.387 ( -2.168 0.000 0.050) 2.169 7.387 ( 2.168 0.000 0.050) 2.169 7.601 ( -6.116 0.000 6.440) 8.881 7.601 ( 6.116 0.000 6.440) 8.881 7.708 ( -0.812 0.000 -1.332) 1.560 7.708 ( 0.812 0.000 -1.332) 1.560 7.792 ( -5.836 0.000 9.784) 11.392 7.792 ( 5.836 0.000 9.784) 11.392 7.823 ( -1.340 0.000 0.889) 1.608 7.823 ( 1.340 0.000 0.889) 1.608 7.961 ( -0.701 0.000 -3.991) 4.052 7.961 ( 0.701 0.000 -3.991) 4.052 8.391 ( -3.400 0.000 1.783) 3.839 8.391 ( 3.400 0.000 1.783) 3.839 8.744 ( -13.679 0.000 -6.067) 14.964 8.744 ( 13.679 0.000 -6.067) 14.964 9.087 ( -3.870 0.000 2.117) 4.412 9.087 ( 3.870 0.000 2.117) 4.412 9.469 ( -3.370 0.000 -4.536) 5.651 9.469 ( 3.370 0.000 -4.536) 5.651 10.200 ( -7.180 0.000 6.620) 9.766 10.200 ( 7.180 0.000 6.620) 9.766 10.248 ( -0.993 0.000 0.957) 1.379 10.248 ( 0.993 0.000 0.957) 1.379 10.416 ( -9.816 0.000 3.160) 10.313 10.416 ( 9.816 0.000 3.160) 10.313 10.476 ( -8.596 0.000 -3.956) 9.462 10.476 ( 8.596 0.000 -3.956) 9.462 10.646 ( -17.332 0.000 -3.523) 17.686 10.646 ( 17.332 0.000 -3.523) 17.686 10.859 ( -2.748 0.000 -0.401) 2.777 10.859 ( 2.748 0.000 -0.401) 2.777 11.810 ( -0.431 0.000 -0.069) 0.436 11.810 ( 0.431 0.000 -0.069) 0.436 12.234 ( -0.140 0.000 0.029) 0.143 12.234 ( 0.140 0.000 0.029) 0.143 16.455 ( -1.271 0.000 1.238) 1.774 16.455 ( 1.271 0.000 1.238) 1.774 16.468 ( -2.777 0.000 -0.347) 2.798 16.468 ( 2.777 0.000 -0.347) 2.798 16.834 ( -4.334 0.000 -4.667) 6.369 16.834 ( 4.334 0.000 -4.667) 6.369 16.925 ( -5.144 0.000 1.029) 5.246 16.925 ( 5.144 0.000 1.029) 5.246 17.260 ( -5.156 0.000 6.285) 8.130 17.260 ( 5.156 0.000 6.285) 8.130 17.430 ( -4.399 0.000 -6.278) 7.666 17.430 ( 4.399 0.000 -6.278) 7.666 17.582 ( -2.669 0.000 -2.867) 3.917 17.582 ( 2.669 0.000 -2.867) 3.917 17.800 ( -1.765 0.000 7.332) 7.541 17.800 ( 1.765 0.000 7.332) 7.541 18.618 ( -0.926 0.000 2.477) 2.644 18.618 ( 0.926 0.000 2.477) 2.644 19.221 ( -0.567 0.000 -2.355) 2.422 19.221 ( 0.567 0.000 -2.355) 2.422 19.799 ( -0.724 0.000 -0.097) 0.731 19.799 ( 0.724 0.000 -0.097) 0.731 20.109 ( -9.409 0.000 -1.349) 9.505 20.109 ( 9.409 0.000 -1.349) 9.505 107.903 ( -0.076 0.000 0.009) 0.076 107.903 ( 0.076 0.000 0.009) 0.076 107.956 ( -0.024 0.000 -0.009) 0.025 107.956 ( 0.024 0.000 -0.009) 0.025 107.995 ( -0.185 0.000 0.039) 0.189 107.995 ( 0.185 0.000 0.039) 0.189 108.018 ( -0.188 0.000 -0.048) 0.194 108.018 ( 0.188 0.000 -0.048) 0.194 ======================= Grid point 72 (26/60) ======================= q-point: ( 0.00 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( 0.000 12.261 22.320) 25.466 0.813 ( 0.000 16.204 21.354) 26.806 1.242 ( 0.000 34.472 21.647) 40.705 1.329 ( 0.000 16.899 -6.752) 18.198 1.656 ( 0.000 -2.899 -12.289) 12.626 1.849 ( 0.000 -6.175 0.653) 6.209 1.941 ( 0.000 -0.991 1.735) 1.998 2.092 ( 0.000 -6.632 5.737) 8.769 2.128 ( 0.000 0.718 5.567) 5.613 2.200 ( 0.000 6.388 -0.643) 6.420 2.350 ( 0.000 -2.440 -1.563) 2.897 2.418 ( 0.000 -10.538 -4.361) 11.405 2.482 ( 0.000 -0.552 2.987) 3.038 2.816 ( 0.000 5.257 -5.922) 7.918 2.895 ( 0.000 5.083 -1.691) 5.356 2.950 ( 0.000 -1.301 0.490) 1.390 3.032 ( 0.000 -3.686 0.768) 3.766 3.043 ( 0.000 14.568 -1.244) 14.621 3.071 ( 0.000 3.528 -2.201) 4.158 3.144 ( 0.000 -2.364 -4.029) 4.671 3.214 ( 0.000 -3.999 -1.079) 4.142 3.223 ( 0.000 -1.405 -5.486) 5.663 3.284 ( 0.000 1.831 -1.938) 2.667 3.420 ( 0.000 -1.443 -8.085) 8.213 3.431 ( 0.000 -0.674 -7.325) 7.356 3.543 ( 0.000 4.364 -3.254) 5.443 3.549 ( 0.000 5.744 -7.617) 9.540 3.606 ( 0.000 -2.459 -0.921) 2.625 3.714 ( 0.000 -0.721 -0.410) 0.830 3.740 ( 0.000 -0.740 -1.369) 1.556 3.952 ( 0.000 2.107 3.934) 4.463 3.961 ( 0.000 -1.672 4.533) 4.832 4.037 ( 0.000 -0.143 2.252) 2.257 4.040 ( 0.000 1.462 2.430) 2.835 4.082 ( 0.000 9.538 0.844) 9.575 4.088 ( 0.000 2.593 -1.815) 3.166 4.205 ( 0.000 3.886 -4.532) 5.970 4.370 ( 0.000 -0.720 3.684) 3.754 4.429 ( 0.000 -6.995 0.537) 7.015 4.629 ( 0.000 0.659 -7.136) 7.166 4.709 ( 0.000 5.736 5.456) 7.916 4.820 ( 0.000 -2.347 -2.547) 3.464 4.895 ( 0.000 8.176 -5.499) 9.854 5.019 ( 0.000 -1.493 -5.600) 5.796 5.148 ( 0.000 3.964 6.611) 7.709 5.212 ( 0.000 3.683 -0.270) 3.693 5.330 ( 0.000 -0.625 -2.375) 2.456 5.362 ( 0.000 -2.724 -1.036) 2.914 5.371 ( 0.000 1.220 -0.889) 1.510 5.392 ( 0.000 1.404 -2.172) 2.586 5.661 ( 0.000 1.042 1.735) 2.024 5.722 ( 0.000 -1.052 -0.099) 1.057 5.791 ( 0.000 -1.366 5.465) 5.633 5.824 ( 0.000 6.945 3.409) 7.736 5.839 ( 0.000 0.283 1.401) 1.429 5.886 ( 0.000 -3.735 -2.253) 4.363 5.986 ( 0.000 2.923 4.852) 5.664 6.018 ( 0.000 3.075 4.519) 5.466 6.040 ( 0.000 6.097 -5.933) 8.507 6.125 ( 0.000 0.119 -2.670) 2.673 6.231 ( 0.000 0.380 -7.461) 7.471 6.256 ( 0.000 0.455 -5.409) 5.428 6.339 ( 0.000 -0.661 -2.679) 2.760 6.365 ( 0.000 -4.251 -0.240) 4.258 6.445 ( 0.000 0.587 4.849) 4.884 6.538 ( 0.000 -5.389 0.685) 5.432 6.550 ( 0.000 -2.552 0.209) 2.561 6.651 ( 0.000 -1.243 -0.622) 1.390 6.683 ( 0.000 0.118 -2.811) 2.814 6.726 ( 0.000 2.292 -1.579) 2.784 6.769 ( 0.000 -0.284 2.904) 2.917 6.835 ( 0.000 -1.082 6.310) 6.402 6.871 ( 0.000 2.062 -0.548) 2.134 7.010 ( 0.000 0.298 -2.262) 2.281 7.013 ( 0.000 11.498 5.266) 12.647 7.105 ( 0.000 5.359 8.256) 9.842 7.218 ( 0.000 12.397 -6.126) 13.828 7.303 ( 0.000 -3.203 6.837) 7.550 7.321 ( 0.000 1.782 3.124) 3.597 7.427 ( 0.000 3.906 -1.733) 4.273 7.642 ( 0.000 -3.553 -1.340) 3.797 7.666 ( 0.000 -1.867 -1.531) 2.414 7.713 ( 0.000 -0.002 -0.327) 0.327 7.742 ( 0.000 -1.987 -0.350) 2.017 7.803 ( 0.000 3.395 1.070) 3.559 7.865 ( 0.000 2.301 -2.783) 3.611 7.902 ( 0.000 -0.759 -2.980) 3.075 7.911 ( 0.000 0.465 -4.315) 4.340 7.960 ( 0.000 3.315 0.374) 3.336 8.041 ( 0.000 2.377 -3.036) 3.856 8.707 ( 0.000 -3.334 4.478) 5.583 8.801 ( 0.000 -14.550 1.162) 14.597 8.974 ( 0.000 -16.752 7.157) 18.217 9.047 ( 0.000 -24.747 -3.308) 24.967 9.094 ( 0.000 -18.802 3.900) 19.202 9.342 ( 0.000 -17.262 -7.734) 18.915 9.491 ( 0.000 -6.700 6.750) 9.511 9.626 ( 0.000 -12.937 10.639) 16.750 9.926 ( 0.000 -9.599 2.338) 9.879 10.249 ( 0.000 5.319 -2.612) 5.926 10.453 ( 0.000 14.871 1.026) 14.906 10.539 ( 0.000 5.313 4.222) 6.786 10.635 ( 0.000 0.158 -4.709) 4.712 10.766 ( 0.000 -13.139 12.272) 17.979 10.816 ( 0.000 4.050 -4.894) 6.353 10.920 ( 0.000 -5.731 1.875) 6.030 11.141 ( 0.000 16.859 4.306) 17.400 11.275 ( 0.000 12.520 -1.523) 12.613 11.777 ( 0.000 -1.485 1.359) 2.013 11.868 ( 0.000 2.258 -2.106) 3.087 12.252 ( 0.000 1.214 2.415) 2.703 12.545 ( 0.000 8.257 -14.002) 16.255 16.616 ( 0.000 1.904 -0.033) 1.904 16.632 ( 0.000 2.294 0.511) 2.351 16.784 ( 0.000 -1.406 -1.067) 1.765 16.810 ( 0.000 -1.313 -2.339) 2.682 16.924 ( 0.000 2.237 0.419) 2.276 17.026 ( 0.000 -0.335 -5.202) 5.212 17.081 ( 0.000 0.574 9.588) 9.605 17.206 ( 0.000 -0.093 4.503) 4.504 17.356 ( 0.000 0.231 -0.893) 0.922 17.386 ( 0.000 0.331 -2.645) 2.666 17.413 ( 0.000 -2.517 1.206) 2.791 17.473 ( 0.000 -1.176 -0.661) 1.349 17.582 ( 0.000 9.178 -10.166) 13.696 17.587 ( 0.000 4.577 -4.164) 6.187 17.801 ( 0.000 14.650 -8.322) 16.849 17.903 ( 0.000 2.094 -4.177) 4.673 18.313 ( 0.000 3.587 -1.342) 3.830 18.342 ( 0.000 4.315 -4.762) 6.426 18.838 ( 0.000 -1.224 8.509) 8.596 19.081 ( 0.000 -4.361 -2.271) 4.917 19.684 ( 0.000 1.237 2.198) 2.522 19.786 ( 0.000 3.233 -1.637) 3.624 20.266 ( 0.000 -19.976 16.038) 25.618 20.457 ( 0.000 -7.263 -0.398) 7.274 107.929 ( 0.000 0.617 -0.475) 0.779 107.929 ( 0.000 0.189 -0.201) 0.275 107.934 ( 0.000 0.234 -0.019) 0.234 107.935 ( 0.000 0.136 0.025) 0.139 107.960 ( 0.000 0.153 0.027) 0.155 107.966 ( 0.000 0.092 -0.211) 0.231 107.997 ( 0.000 -0.218 0.494) 0.540 108.014 ( 0.000 -0.684 -0.008) 0.684 ======================= Grid point 73 (27/60) ======================= q-point: ( 0.12 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( 11.492 10.547 15.137) 21.735 1.017 ( 11.704 25.382 9.841) 29.632 1.350 ( 4.154 15.234 -1.704) 15.882 1.551 ( 22.495 20.737 13.400) 33.401 1.685 ( 1.138 -2.464 -12.243) 12.540 1.812 ( -3.838 0.296 1.025) 3.983 1.935 ( -1.732 2.322 2.416) 3.772 2.133 ( 2.646 -2.882 5.473) 6.728 2.186 ( 7.495 -9.033 3.466) 12.239 2.262 ( 4.869 1.514 0.413) 5.116 2.320 ( 4.407 -2.268 4.431) 6.649 2.459 ( 5.661 -8.002 -1.938) 9.991 2.641 ( 7.288 -0.667 1.141) 7.407 2.795 ( -7.335 5.282 -2.211) 9.306 2.825 ( -6.919 10.212 -2.259) 12.541 2.914 ( -1.082 5.448 -1.211) 5.685 2.964 ( -1.015 4.299 -3.553) 5.669 3.008 ( -2.464 -5.744 -0.562) 6.276 3.031 ( -1.410 -1.829 -3.115) 3.878 3.143 ( 1.896 -1.703 0.769) 2.662 3.165 ( -2.161 -3.413 -1.078) 4.181 3.276 ( 2.842 3.418 -2.444) 5.073 3.339 ( 1.108 1.774 2.415) 3.195 3.423 ( 1.220 1.286 -5.599) 5.873 3.472 ( 3.754 -1.639 -14.215) 14.793 3.567 ( -0.549 3.807 -7.196) 8.159 3.595 ( 4.150 0.413 0.731) 4.234 3.642 ( 3.579 -2.325 0.149) 4.270 3.710 ( -0.401 1.620 -0.779) 1.842 3.728 ( 1.452 2.317 -1.877) 3.316 3.881 ( -4.601 0.848 3.106) 5.616 3.929 ( -3.517 4.609 1.447) 5.976 4.030 ( -0.956 -0.581 1.441) 1.825 4.077 ( 0.937 4.728 2.634) 5.492 4.091 ( 3.183 1.066 3.073) 4.551 4.124 ( 4.621 -1.158 1.244) 4.924 4.231 ( 1.051 2.238 -1.907) 3.123 4.332 ( -2.897 0.321 3.457) 4.522 4.452 ( 1.195 -6.312 -0.558) 6.448 4.570 ( -4.764 -0.053 -4.714) 6.702 4.676 ( -2.349 5.661 1.792) 6.386 4.757 ( -4.794 -1.469 -1.761) 5.314 4.852 ( -4.809 4.235 -5.993) 8.773 4.960 ( -5.346 -2.067 -6.084) 8.359 5.096 ( -4.150 1.706 5.444) 7.055 5.149 ( -4.909 2.702 0.947) 5.683 5.218 ( -8.602 -1.113 -0.653) 8.698 5.262 ( -4.614 2.583 -2.184) 5.721 5.366 ( -0.664 1.726 -1.051) 2.127 5.398 ( -0.849 0.970 -1.735) 2.161 5.602 ( -4.406 -0.307 3.022) 5.352 5.673 ( -4.357 -0.646 0.802) 4.477 5.763 ( -1.816 -0.108 2.642) 3.208 5.821 ( -1.389 0.932 1.650) 2.349 5.827 ( -0.754 0.598 0.564) 1.116 5.884 ( 0.803 0.995 3.212) 3.457 5.941 ( -5.564 3.682 0.553) 6.695 6.001 ( 0.347 5.508 5.365) 7.696 6.089 ( 0.190 -0.490 -1.668) 1.749 6.139 ( 1.877 0.780 -0.596) 2.118 6.218 ( -3.138 0.417 -6.595) 7.315 6.265 ( 0.629 -1.584 -7.426) 7.619 6.358 ( 0.093 3.907 -1.400) 4.151 6.417 ( 0.002 -5.379 1.141) 5.499 6.455 ( 0.411 -1.158 1.781) 2.163 6.539 ( 3.096 -2.654 -1.509) 4.348 6.591 ( 0.134 0.290 -1.933) 1.959 6.618 ( -1.008 -0.471 2.930) 3.134 6.691 ( 4.047 -0.702 -1.286) 4.304 6.751 ( 2.059 -2.795 -1.258) 3.692 6.804 ( 2.817 3.156 3.924) 5.770 6.879 ( 1.174 2.654 0.014) 2.901 6.939 ( 6.951 -1.615 -2.861) 7.688 7.019 ( 1.109 10.555 4.908) 11.693 7.049 ( 1.737 0.369 -1.782) 2.516 7.127 ( 0.502 4.027 6.571) 7.723 7.238 ( 2.588 7.671 1.847) 8.304 7.290 ( 2.929 2.274 3.817) 5.322 7.361 ( -2.229 0.773 -0.828) 2.501 7.446 ( -1.911 -2.461 -1.308) 3.379 7.510 ( 0.930 0.355 -1.090) 1.476 7.662 ( -4.194 -0.767 2.636) 5.013 7.687 ( 0.444 -2.358 0.508) 2.453 7.749 ( 0.480 2.375 0.249) 2.436 7.787 ( 0.206 2.960 -2.361) 3.792 7.875 ( 2.680 0.929 -1.482) 3.200 7.908 ( 0.680 0.206 -1.103) 1.312 7.974 ( 2.491 1.404 -0.321) 2.877 8.029 ( 5.408 3.856 -3.109) 7.334 8.111 ( 2.949 0.302 -6.472) 7.119 8.785 ( 1.999 -13.444 1.532) 13.678 8.809 ( 1.051 -11.069 6.147) 12.705 8.971 ( 1.266 -17.159 2.469) 17.382 9.048 ( -1.079 -15.213 6.267) 16.488 9.143 ( 5.583 -22.348 -1.111) 23.062 9.289 ( -4.491 -17.781 -5.188) 19.059 9.560 ( 6.564 -4.335 4.893) 9.264 9.638 ( 4.628 -5.564 2.970) 7.823 9.930 ( 0.822 -7.852 2.333) 8.233 10.176 ( -6.297 -1.108 -3.109) 7.110 10.433 ( -1.003 15.100 0.451) 15.140 10.535 ( -0.258 16.461 0.509) 16.471 10.573 ( -1.608 -0.037 3.343) 3.709 10.775 ( -1.178 -7.648 8.166) 11.250 10.789 ( -2.501 2.600 -3.807) 5.245 11.051 ( 4.360 -7.246 -3.026) 8.982 11.139 ( 0.605 8.607 2.513) 8.987 11.260 ( -1.464 12.907 -1.770) 13.110 11.779 ( 0.176 -1.427 1.216) 1.883 11.860 ( -0.778 1.887 -1.853) 2.757 12.241 ( -0.877 0.400 1.967) 2.191 12.443 ( -7.191 8.473 -7.883) 13.625 16.575 ( -2.828 2.061 0.193) 3.504 16.616 ( -2.091 0.863 -0.225) 2.274 16.704 ( -4.503 -1.109 1.858) 4.996 16.787 ( -7.539 -1.012 3.033) 8.189 16.880 ( -2.857 2.270 2.328) 4.328 16.989 ( 1.415 -0.906 -4.009) 4.346 17.049 ( -1.557 2.066 -3.179) 4.099 17.244 ( -8.882 0.428 -6.892) 11.250 17.304 ( -1.948 0.074 -0.912) 2.152 17.327 ( -1.567 5.484 -4.642) 7.354 17.410 ( 3.874 -1.646 6.382) 7.645 17.471 ( -0.909 -1.862 3.506) 4.072 17.550 ( -0.028 7.521 -0.848) 7.569 17.637 ( 1.566 3.832 -1.065) 4.275 17.718 ( -1.238 5.975 1.583) 6.304 17.856 ( -3.805 1.629 -4.087) 5.817 18.372 ( 5.022 3.984 -0.222) 6.414 18.450 ( 5.379 3.601 -2.857) 7.076 18.929 ( 6.592 -3.310 1.497) 7.527 19.090 ( 0.928 -4.603 -1.808) 5.032 19.688 ( 0.523 1.287 2.280) 2.670 19.801 ( 1.163 3.311 -1.835) 3.960 20.065 ( -7.583 -6.330 17.420) 20.026 20.632 ( 3.048 -15.513 -10.466) 18.960 107.918 ( -0.498 0.504 -0.021) 0.709 107.923 ( -0.391 0.297 -0.118) 0.505 107.940 ( 0.352 0.177 -0.084) 0.403 107.941 ( 0.372 0.056 -0.046) 0.379 107.964 ( 0.438 0.049 0.125) 0.458 107.977 ( 0.677 -0.066 -0.504) 0.846 107.999 ( 0.159 -0.199 0.443) 0.511 108.013 ( -0.023 -0.454 -0.004) 0.455 ======================= Grid point 74 (28/60) ======================= q-point: ( 0.25 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( 16.622 6.320 1.467) 17.843 1.278 ( 11.930 22.255 2.966) 25.425 1.471 ( 8.370 14.408 -0.056) 16.663 1.682 ( -0.883 4.365 -2.677) 5.196 1.721 ( -1.448 2.936 -5.151) 6.103 1.834 ( 0.292 6.669 -6.047) 9.007 2.089 ( 12.599 1.732 7.032) 14.532 2.133 ( 3.765 -4.842 11.325) 12.879 2.328 ( 1.113 3.044 1.298) 3.491 2.451 ( 9.260 -3.173 5.739) 11.347 2.502 ( -5.502 -2.152 -2.317) 6.346 2.536 ( 2.804 1.958 1.930) 3.927 2.610 ( 9.100 0.039 2.198) 9.362 2.688 ( -8.480 2.127 -1.302) 8.839 2.745 ( 3.224 -6.553 -3.308) 8.018 2.911 ( 2.627 3.642 -0.274) 4.499 2.964 ( 3.335 -1.132 -5.532) 6.557 3.019 ( 4.237 3.192 -2.450) 5.843 3.057 ( -0.282 -1.538 1.130) 1.929 3.121 ( -0.663 -0.931 -0.800) 1.396 3.206 ( 2.111 0.639 -1.515) 2.676 3.350 ( 4.063 -0.704 4.943) 6.437 3.389 ( 5.080 1.276 -0.063) 5.238 3.422 ( -0.313 7.937 -7.751) 11.098 3.504 ( -3.713 2.009 -3.569) 5.528 3.587 ( 4.913 0.539 -4.974) 7.012 3.669 ( 1.449 -2.630 2.225) 3.737 3.677 ( 3.388 0.363 3.289) 4.736 3.753 ( 3.090 0.384 1.920) 3.658 3.808 ( 0.563 1.307 -1.953) 2.417 3.849 ( 5.253 1.081 -2.833) 6.066 3.897 ( 2.534 2.804 -2.539) 4.553 4.037 ( 1.514 -2.140 2.543) 3.652 4.107 ( 2.531 2.805 6.718) 7.707 4.148 ( 0.861 -0.634 2.255) 2.496 4.209 ( -1.720 0.350 1.484) 2.298 4.229 ( 2.241 -1.623 -1.215) 3.022 4.269 ( -1.979 0.780 2.310) 3.140 4.416 ( -4.815 -1.704 -0.795) 5.169 4.519 ( 0.444 -3.616 -5.537) 6.628 4.629 ( -2.944 1.871 -1.634) 3.852 4.660 ( -3.482 1.567 -1.767) 4.207 4.714 ( -6.197 0.038 -3.878) 7.311 4.829 ( -6.177 -4.472 -7.875) 10.962 4.974 ( -9.672 -0.134 3.312) 10.224 5.019 ( -6.193 -0.436 2.562) 6.716 5.048 ( -6.218 0.826 2.484) 6.746 5.175 ( -4.743 2.943 -4.136) 6.947 5.332 ( -4.052 2.557 -0.594) 4.828 5.372 ( 0.240 0.653 -0.010) 0.696 5.518 ( -4.153 -0.414 3.505) 5.450 5.565 ( -4.355 -0.089 1.895) 4.751 5.679 ( -6.038 -0.693 7.266) 9.473 5.778 ( -2.018 -0.148 1.608) 2.584 5.813 ( -0.819 2.353 1.149) 2.744 5.847 ( -2.416 0.286 1.823) 3.040 5.894 ( -0.201 1.883 0.117) 1.898 6.012 ( -1.192 -0.025 -0.633) 1.350 6.057 ( -2.031 3.653 1.291) 4.375 6.117 ( -2.676 -0.659 -2.692) 3.853 6.184 ( -1.046 1.312 0.186) 1.688 6.261 ( 0.718 1.095 -8.818) 8.914 6.312 ( -2.726 -2.766 -4.007) 5.581 6.389 ( -2.706 1.000 -3.012) 4.171 6.472 ( -0.767 -0.014 -0.806) 1.113 6.503 ( -5.005 2.542 -1.364) 5.777 6.611 ( 2.237 -1.019 0.842) 2.598 6.648 ( 1.121 2.983 4.543) 5.549 6.738 ( -1.627 0.453 0.554) 1.778 6.794 ( 1.544 1.240 -3.108) 3.686 6.870 ( 2.412 4.090 2.120) 5.200 6.920 ( 2.779 3.456 -2.510) 5.095 6.991 ( -0.928 -0.068 -2.226) 2.413 7.071 ( 1.858 6.551 3.971) 7.882 7.081 ( 0.674 2.617 -1.384) 3.036 7.145 ( 5.780 -3.100 0.534) 6.580 7.219 ( -4.411 2.841 1.489) 5.454 7.323 ( 3.158 4.211 2.899) 6.009 7.426 ( 3.482 -0.876 2.030) 4.125 7.488 ( 10.411 -1.198 0.825) 10.512 7.611 ( -1.301 -1.700 5.652) 6.044 7.643 ( 6.460 -4.906 -0.778) 8.149 7.711 ( 2.299 1.837 -0.916) 3.082 7.776 ( 1.518 4.251 1.916) 4.904 7.808 ( 1.846 1.708 -1.144) 2.763 7.897 ( -0.241 1.827 0.592) 1.936 7.921 ( 0.614 4.398 -0.452) 4.463 8.025 ( -2.396 2.543 -1.161) 3.682 8.092 ( 5.919 -1.646 -0.200) 6.147 8.208 ( 6.194 0.110 -5.976) 8.608 8.686 ( -7.815 -7.066 9.585) 14.243 8.810 ( -0.706 -19.522 6.226) 20.503 9.002 ( 1.161 -21.657 -3.150) 21.916 9.091 ( 0.272 -10.758 -5.856) 12.252 9.207 ( -3.180 -15.614 -0.980) 15.964 9.246 ( 3.776 -19.838 -4.997) 20.803 9.756 ( 11.806 -3.158 3.850) 12.813 9.828 ( 11.846 -3.343 -1.515) 12.401 9.977 ( 4.501 -3.686 4.026) 7.075 10.080 ( -0.192 -2.829 -0.621) 2.903 10.409 ( -2.050 9.134 -0.344) 9.368 10.537 ( -0.031 12.142 -3.072) 12.525 10.557 ( 0.077 12.599 4.810) 13.486 10.701 ( -5.446 0.778 1.595) 5.728 10.730 ( -3.506 -3.242 4.108) 6.299 11.045 ( -2.524 7.152 -0.641) 7.611 11.118 ( -4.520 -3.592 -3.096) 6.551 11.213 ( -3.022 13.760 -2.200) 14.259 11.784 ( 0.278 -1.228 0.872) 1.532 11.840 ( -1.068 1.030 -1.258) 1.946 12.222 ( -0.741 -1.190 1.156) 1.817 12.315 ( -4.587 4.410 -2.771) 6.941 16.514 ( -2.963 0.763 -0.081) 3.060 16.546 ( -4.233 -0.204 -0.491) 4.266 16.603 ( -7.782 0.121 3.391) 8.490 16.622 ( -3.293 -0.782 4.359) 5.519 16.829 ( -2.148 0.948 3.140) 3.921 16.954 ( -5.503 0.615 -1.717) 5.798 17.033 ( -3.701 -0.699 -7.780) 8.644 17.080 ( -2.772 -0.235 -9.535) 9.933 17.240 ( -1.971 2.950 -1.937) 4.042 17.332 ( 1.682 2.813 -4.607) 5.654 17.386 ( -3.628 -0.651 5.622) 6.723 17.531 ( 2.745 0.923 2.998) 4.169 17.599 ( 3.547 2.430 4.520) 6.239 17.629 ( -2.512 2.635 -1.914) 4.113 17.713 ( 0.118 3.679 2.884) 4.676 17.807 ( 0.028 1.013 1.255) 1.613 18.490 ( 5.689 3.864 1.010) 6.951 18.544 ( 4.099 2.894 1.007) 5.118 19.058 ( 5.366 -4.450 -1.647) 7.163 19.119 ( 1.718 -5.056 -1.201) 5.473 19.713 ( 1.965 1.237 1.768) 2.918 19.821 ( 0.540 3.136 -2.097) 3.811 19.975 ( -2.014 -3.140 12.005) 12.571 20.543 ( -9.597 -10.442 -11.014) 17.957 107.910 ( -0.271 0.430 0.081) 0.514 107.915 ( -0.322 0.342 -0.085) 0.477 107.947 ( 0.293 -0.020 -0.024) 0.295 107.948 ( 0.287 -0.093 -0.039) 0.304 107.976 ( 0.634 0.001 0.154) 0.653 107.989 ( 0.492 -0.067 -0.402) 0.639 108.003 ( 0.296 -0.164 0.333) 0.474 108.015 ( 0.152 -0.250 -0.093) 0.308 ======================= Grid point 75 (29/60) ======================= q-point: ( 0.38 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( 7.127 4.858 -5.296) 10.121 1.421 ( 2.714 14.212 -1.942) 14.598 1.660 ( 6.774 9.429 0.933) 11.648 1.753 ( 11.470 5.156 0.685) 12.594 1.818 ( 6.750 5.220 -0.915) 8.582 1.887 ( 8.667 5.606 -5.795) 11.838 2.086 ( -3.106 -2.252 3.897) 5.469 2.171 ( -11.142 3.772 0.759) 11.788 2.228 ( -5.513 -0.495 0.134) 5.536 2.392 ( -1.894 6.796 0.506) 7.073 2.441 ( -9.811 -11.179 -3.234) 15.221 2.540 ( -3.283 4.149 -4.635) 7.034 2.710 ( 7.309 -0.765 4.190) 8.460 2.758 ( 7.900 8.273 4.669) 12.356 2.883 ( 0.828 -3.495 -1.176) 3.780 3.007 ( 5.251 -0.965 2.772) 6.015 3.031 ( 2.708 6.636 -4.712) 8.577 3.056 ( 1.471 3.592 -3.409) 5.166 3.122 ( 0.685 3.754 1.119) 3.976 3.215 ( 3.071 -2.539 -1.670) 4.321 3.223 ( 12.505 -7.858 -1.102) 14.810 3.334 ( -3.810 6.248 -2.884) 7.866 3.418 ( -2.036 -4.822 5.339) 7.477 3.507 ( 6.347 -0.881 -0.457) 6.425 3.576 ( 6.666 1.719 0.769) 6.927 3.636 ( -1.127 -0.071 6.154) 6.257 3.747 ( 8.357 -0.446 -1.984) 8.601 3.788 ( 5.638 1.499 -1.174) 5.951 3.815 ( 4.727 0.401 3.940) 6.167 3.820 ( -1.354 -0.253 -1.527) 2.057 3.898 ( 0.062 1.756 -2.988) 3.466 4.014 ( 2.706 -1.596 -1.516) 3.488 4.072 ( -2.189 -1.687 1.905) 3.356 4.107 ( -3.043 -2.765 -0.298) 4.122 4.133 ( 1.316 -0.694 0.671) 1.632 4.194 ( 3.976 -0.140 4.059) 5.683 4.225 ( 0.010 2.340 0.245) 2.353 4.284 ( -0.132 1.516 -0.080) 1.524 4.330 ( -2.268 0.500 -0.317) 2.344 4.502 ( -2.169 -4.074 -2.188) 5.108 4.527 ( -4.964 -1.886 -1.744) 5.590 4.646 ( 3.010 1.208 -1.590) 3.613 4.682 ( -1.964 -2.432 -0.751) 3.215 4.742 ( -1.949 -3.584 -4.611) 6.156 4.763 ( -5.767 2.205 0.041) 6.175 4.892 ( -6.242 -3.862 -0.209) 7.343 4.939 ( -3.931 2.121 4.174) 6.113 5.055 ( -6.455 2.516 -2.657) 7.420 5.241 ( -3.898 1.844 2.526) 4.998 5.330 ( -6.461 2.109 5.513) 8.752 5.449 ( 1.798 -1.574 4.731) 5.301 5.550 ( 1.221 -0.923 2.690) 3.095 5.613 ( 1.499 -0.233 7.963) 8.106 5.733 ( -2.540 -2.287 0.482) 3.452 5.788 ( -2.726 -0.526 0.305) 2.793 5.807 ( -0.158 1.866 2.137) 2.842 5.901 ( 0.769 1.741 -0.795) 2.063 5.944 ( -8.237 -0.574 1.629) 8.416 5.973 ( -2.351 0.966 -1.135) 2.783 6.070 ( -2.514 -1.722 -5.484) 6.274 6.137 ( -7.303 -0.583 -0.549) 7.347 6.225 ( -2.270 0.858 -8.754) 9.084 6.285 ( -3.853 1.010 -3.695) 5.433 6.305 ( 0.884 -0.011 -3.002) 3.129 6.425 ( 0.135 2.747 0.323) 2.770 6.487 ( 1.842 6.675 -3.170) 7.615 6.629 ( -0.226 1.402 -0.163) 1.429 6.658 ( -0.197 5.519 3.205) 6.386 6.736 ( -0.112 5.121 -1.312) 5.287 6.761 ( -2.231 -1.035 -6.479) 6.930 6.843 ( -1.455 6.204 -3.888) 7.465 6.938 ( -1.390 2.563 -7.477) 8.025 7.041 ( 2.966 0.148 3.423) 4.531 7.086 ( 0.649 -0.236 0.544) 0.879 7.139 ( 2.808 5.903 2.441) 6.978 7.178 ( 0.167 3.744 4.293) 5.698 7.282 ( 5.430 -2.523 -2.196) 6.377 7.359 ( 1.493 -0.839 -0.809) 1.894 7.518 ( 3.316 1.378 7.299) 8.134 7.614 ( 3.074 -2.343 6.175) 7.285 7.679 ( 2.290 -2.137 0.778) 3.227 7.693 ( 2.354 -0.468 0.125) 2.403 7.772 ( 2.038 0.611 0.465) 2.178 7.804 ( 1.195 5.019 3.038) 5.987 7.872 ( 3.529 -2.214 -2.393) 4.805 7.896 ( 0.355 1.919 -0.246) 1.967 7.919 ( -1.173 5.141 1.236) 5.416 7.937 ( -3.754 2.615 3.445) 5.728 8.253 ( 7.425 -3.553 -0.661) 8.257 8.341 ( 5.971 -1.610 -1.051) 6.273 8.560 ( -2.253 -4.284 2.856) 5.620 8.809 ( 0.171 -18.903 3.484) 19.222 8.942 ( -5.722 -14.774 -6.265) 17.038 9.044 ( -8.769 -12.058 -4.961) 15.714 9.153 ( 3.094 -19.178 0.799) 19.442 9.283 ( -0.412 -20.442 -4.779) 20.997 9.984 ( 9.079 -2.030 5.147) 10.632 10.097 ( 13.271 -3.304 -0.655) 13.692 10.141 ( 9.105 -1.852 1.396) 9.396 10.215 ( 12.380 -1.462 0.352) 12.471 10.332 ( -3.906 1.802 0.205) 4.307 10.509 ( -4.866 3.517 -4.752) 7.657 10.557 ( -3.757 3.721 4.589) 7.001 10.572 ( -2.307 13.135 3.160) 13.705 10.652 ( -3.048 8.187 1.710) 8.901 10.904 ( -12.320 -8.041 -5.916) 15.856 11.036 ( -0.741 15.915 1.694) 16.022 11.138 ( -3.934 14.740 -2.024) 15.390 11.791 ( 0.416 -0.933 0.434) 1.110 11.818 ( -0.926 0.145 -0.614) 1.120 12.213 ( -0.092 -2.176 0.492) 2.233 12.248 ( -2.098 0.242 -0.879) 2.288 16.458 ( -2.129 -0.563 0.650) 2.296 16.463 ( -2.567 0.121 0.522) 2.622 16.494 ( -3.211 -0.631 0.708) 3.348 16.548 ( -4.207 -0.684 1.805) 4.629 16.802 ( -0.226 1.837 -0.004) 1.851 16.858 ( -1.908 -1.685 -1.727) 3.076 16.918 ( -4.633 -1.365 -3.715) 6.093 17.028 ( -4.958 -2.003 -3.241) 6.254 17.244 ( 1.910 6.121 1.513) 6.588 17.352 ( -1.144 0.361 0.581) 1.333 17.356 ( 2.004 0.477 -2.182) 3.001 17.528 ( -4.446 -0.378 -4.681) 6.467 17.578 ( 1.322 5.077 0.120) 5.248 17.642 ( 0.036 2.785 -0.209) 2.794 17.755 ( 3.078 1.567 7.351) 8.122 17.820 ( 0.397 0.752 5.073) 5.143 18.593 ( 3.880 3.298 1.656) 5.355 18.619 ( 2.693 2.401 2.119) 4.185 19.142 ( 2.466 -4.802 -2.219) 5.837 19.157 ( 1.734 -5.167 -1.285) 5.599 19.768 ( 2.897 0.923 0.495) 3.081 19.822 ( -0.285 2.251 -1.476) 2.707 19.969 ( 1.861 -2.376 5.700) 6.449 20.302 ( -12.204 -5.919 -6.937) 15.235 107.907 ( -0.088 0.404 0.059) 0.418 107.910 ( -0.208 0.375 -0.043) 0.431 107.952 ( 0.166 -0.203 -0.008) 0.262 107.952 ( 0.144 -0.231 -0.023) 0.273 107.988 ( 0.493 0.039 0.127) 0.511 107.996 ( 0.160 0.044 -0.152) 0.225 108.011 ( 0.364 -0.161 0.131) 0.419 108.018 ( 0.077 -0.182 -0.119) 0.231 ======================= Grid point 76 (30/60) ======================= q-point: (-0.50 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( -0.299 9.558 -3.598) 10.217 1.447 ( 0.299 9.558 -3.598) 10.217 1.860 ( -8.503 4.772 -1.556) 9.874 1.860 ( 8.503 4.772 -1.556) 9.874 1.935 ( -6.364 0.142 -2.649) 6.895 1.935 ( 6.364 0.142 -2.649) 6.895 2.072 ( -4.930 4.366 1.112) 6.679 2.072 ( 4.930 4.366 1.112) 6.679 2.195 ( -12.259 -1.775 4.730) 13.259 2.195 ( 12.259 -1.775 4.730) 13.259 2.416 ( -4.250 7.579 -9.663) 12.995 2.416 ( 4.250 7.579 -9.663) 12.995 2.826 ( -3.767 -3.554 2.235) 5.640 2.826 ( 3.767 -3.554 2.235) 5.640 2.945 ( -7.572 6.610 0.855) 10.088 2.945 ( 7.572 6.610 0.855) 10.088 3.100 ( -1.128 5.731 1.331) 5.991 3.100 ( 1.128 5.731 1.331) 5.991 3.168 ( -5.756 1.175 -3.302) 6.739 3.168 ( 5.756 1.175 -3.302) 6.739 3.346 ( -4.191 -4.767 5.642) 8.492 3.346 ( 4.191 -4.767 5.642) 8.492 3.528 ( -9.637 -7.157 -2.554) 12.273 3.528 ( 9.637 -7.157 -2.554) 12.273 3.621 ( -4.045 -0.780 2.620) 4.882 3.621 ( 4.045 -0.780 2.620) 4.882 3.799 ( -3.078 2.139 -3.205) 4.932 3.799 ( 3.078 2.139 -3.205) 4.932 3.875 ( -3.882 -0.739 0.225) 3.958 3.875 ( 3.882 -0.739 0.225) 3.958 3.971 ( -6.380 1.355 3.578) 7.439 3.971 ( 6.380 1.355 3.578) 7.439 4.032 ( -5.981 0.112 -0.746) 6.028 4.032 ( 5.981 0.112 -0.746) 6.028 4.202 ( -1.833 1.256 -0.767) 2.350 4.202 ( 1.833 1.256 -0.767) 2.350 4.264 ( -2.985 -1.476 -4.914) 5.936 4.264 ( 2.985 -1.476 -4.914) 5.936 4.405 ( -6.758 -2.120 3.221) 7.780 4.405 ( 6.758 -2.120 3.221) 7.780 4.521 ( -5.920 -0.704 4.619) 7.542 4.521 ( 5.920 -0.704 4.619) 7.542 4.747 ( -3.168 -1.015 -1.575) 3.681 4.747 ( 3.168 -1.015 -1.575) 3.681 4.774 ( -4.064 -1.971 -1.889) 4.896 4.774 ( 4.064 -1.971 -1.889) 4.896 4.926 ( -4.199 2.327 -1.789) 5.123 4.926 ( 4.199 2.327 -1.789) 5.123 5.219 ( -2.632 1.863 7.758) 8.401 5.219 ( 2.632 1.863 7.758) 8.401 5.549 ( -4.590 -3.532 3.779) 6.916 5.549 ( 4.590 -3.532 3.779) 6.916 5.658 ( -1.993 -1.948 4.888) 5.627 5.658 ( 1.993 -1.948 4.888) 5.627 5.790 ( -4.339 0.461 2.139) 4.860 5.790 ( 4.339 0.461 2.139) 4.860 5.872 ( -5.756 1.503 -3.532) 6.919 5.872 ( 5.756 1.503 -3.532) 6.919 5.945 ( -2.063 3.369 -0.151) 3.953 5.945 ( 2.063 3.369 -0.151) 3.953 6.128 ( -3.501 -2.459 -4.514) 6.220 6.128 ( 3.501 -2.459 -4.514) 6.220 6.298 ( -1.232 -2.318 -5.479) 6.075 6.298 ( 1.232 -2.318 -5.479) 6.075 6.483 ( -3.214 7.270 -1.098) 8.024 6.483 ( 3.214 7.270 -1.098) 8.024 6.633 ( -1.367 2.637 -2.361) 3.795 6.633 ( 1.367 2.637 -2.361) 3.795 6.732 ( -1.464 6.994 -0.634) 7.173 6.732 ( 1.464 6.994 -0.634) 7.173 6.876 ( -3.584 2.756 -9.297) 10.338 6.876 ( 3.584 2.756 -9.297) 10.338 7.083 ( -1.095 0.139 1.973) 2.261 7.083 ( 1.095 0.139 1.973) 2.261 7.177 ( -0.848 3.880 3.788) 5.489 7.177 ( 0.848 3.880 3.788) 5.489 7.357 ( -2.213 -2.563 -1.018) 3.536 7.357 ( 2.213 -2.563 -1.018) 3.536 7.606 ( -5.329 1.012 5.977) 8.071 7.606 ( 5.329 1.012 5.977) 8.071 7.699 ( -3.169 -0.517 -0.120) 3.213 7.699 ( 3.169 -0.517 -0.120) 3.213 7.810 ( -1.290 1.320 2.876) 3.417 7.810 ( 1.290 1.320 2.876) 3.417 7.888 ( -1.563 3.869 5.076) 6.571 7.888 ( 1.563 3.869 5.076) 6.571 7.920 ( -0.187 -0.975 -2.099) 2.322 7.920 ( 0.187 -0.975 -2.099) 2.322 8.363 ( -3.212 -3.023 1.227) 4.578 8.363 ( 3.212 -3.023 1.227) 4.578 8.684 ( -11.310 -6.617 -5.372) 14.162 8.684 ( 11.310 -6.617 -5.372) 14.162 8.905 ( -3.533 -16.253 0.604) 16.643 8.905 ( 3.533 -16.253 0.604) 16.643 9.236 ( -3.681 -20.655 -1.801) 21.058 9.236 ( 3.681 -20.655 -1.801) 21.058 10.159 ( -7.596 -0.037 2.659) 8.048 10.159 ( 7.596 -0.037 2.659) 8.048 10.320 ( -2.901 -0.976 0.948) 3.204 10.320 ( 2.901 -0.976 0.948) 3.204 10.390 ( -4.577 -3.076 1.003) 5.605 10.390 ( 4.577 -3.076 1.003) 5.605 10.564 ( -11.932 4.078 -3.061) 12.976 10.564 ( 11.932 4.078 -3.061) 12.976 10.625 ( -6.125 7.819 0.232) 9.935 10.625 ( 6.125 7.819 0.232) 9.935 11.063 ( -2.854 15.589 -0.577) 15.859 11.063 ( 2.854 15.589 -0.577) 15.859 11.802 ( -0.647 -0.514 -0.055) 0.828 11.802 ( 0.647 -0.514 -0.055) 0.828 12.220 ( -0.750 -1.850 -0.076) 1.998 12.220 ( 0.750 -1.850 -0.076) 1.998 16.444 ( -0.368 -0.776 0.456) 0.972 16.444 ( 0.368 -0.776 0.456) 0.972 16.468 ( -2.120 -0.226 -0.068) 2.134 16.468 ( 2.120 -0.226 -0.068) 2.134 16.825 ( -2.612 -0.539 -2.717) 3.807 16.825 ( 2.612 -0.539 -2.717) 3.807 16.913 ( -4.705 -1.268 0.957) 4.966 16.913 ( 4.705 -1.268 0.957) 4.966 17.301 ( -3.137 3.625 3.176) 5.751 17.301 ( 3.137 3.625 3.176) 5.751 17.430 ( -4.441 -0.047 -5.627) 7.168 17.430 ( 4.441 -0.047 -5.627) 7.168 17.619 ( -1.914 3.819 -1.332) 4.474 17.619 ( 1.914 3.819 -1.332) 4.474 17.808 ( -1.670 0.715 6.805) 7.043 17.808 ( 1.670 0.715 6.805) 7.043 18.642 ( -0.649 2.647 2.182) 3.491 18.642 ( 0.649 2.647 2.182) 3.491 19.172 ( -0.498 -5.020 -1.970) 5.415 19.172 ( 0.498 -5.020 -1.970) 5.415 19.810 ( -1.065 1.180 -0.236) 1.607 19.810 ( 1.065 1.180 -0.236) 1.607 20.077 ( -8.528 -3.190 -1.281) 9.195 20.077 ( 8.528 -3.190 -1.281) 9.195 107.907 ( -0.069 0.394 0.009) 0.400 107.907 ( 0.069 0.394 0.009) 0.400 107.954 ( -0.013 -0.281 -0.011) 0.281 107.954 ( 0.013 -0.281 -0.011) 0.281 107.996 ( -0.195 0.082 0.037) 0.214 107.996 ( 0.195 0.082 0.037) 0.214 108.017 ( -0.185 -0.167 -0.043) 0.253 108.017 ( 0.185 -0.167 -0.043) 0.253 ======================= Grid point 81 (31/60) ======================= q-point: ( 0.00 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( 0.000 15.863 13.195) 20.634 1.070 ( 0.000 14.448 20.706) 25.249 1.509 ( 0.000 1.225 0.708) 1.415 1.566 ( 0.000 -8.095 -3.939) 9.002 1.706 ( 0.000 -7.478 6.470) 9.888 1.723 ( 0.000 -1.653 0.761) 1.819 1.958 ( 0.000 -5.439 3.586) 6.515 2.037 ( 0.000 -11.350 1.748) 11.483 2.076 ( 0.000 28.619 8.591) 29.881 2.276 ( 0.000 6.672 -3.367) 7.474 2.421 ( 0.000 6.442 -4.593) 7.912 2.467 ( 0.000 1.281 2.217) 2.561 2.521 ( 0.000 13.484 -6.452) 14.948 2.877 ( 0.000 -8.986 -1.678) 9.142 2.901 ( 0.000 3.133 -7.469) 8.100 2.910 ( 0.000 -2.484 -0.484) 2.531 2.964 ( 0.000 -3.449 1.862) 3.919 3.040 ( 0.000 -3.915 -6.730) 7.786 3.096 ( 0.000 -1.454 -0.078) 1.456 3.169 ( 0.000 4.902 -1.626) 5.165 3.201 ( 0.000 0.542 2.148) 2.215 3.285 ( 0.000 4.452 -5.732) 7.257 3.318 ( 0.000 2.243 -0.682) 2.345 3.360 ( 0.000 -3.748 -1.087) 3.903 3.453 ( 0.000 2.455 -5.164) 5.718 3.547 ( 0.000 -4.119 -1.404) 4.352 3.624 ( 0.000 3.028 -4.208) 5.185 3.656 ( 0.000 3.265 -8.025) 8.664 3.750 ( 0.000 3.928 0.086) 3.929 3.755 ( 0.000 2.287 -2.026) 3.056 3.910 ( 0.000 -2.578 4.232) 4.956 3.952 ( 0.000 -1.602 1.578) 2.248 4.036 ( 0.000 -0.467 6.345) 6.362 4.042 ( 0.000 -0.941 3.723) 3.840 4.143 ( 0.000 2.438 1.068) 2.662 4.168 ( 0.000 1.462 1.219) 1.904 4.274 ( 0.000 0.830 1.902) 2.075 4.334 ( 0.000 -2.897 1.016) 3.070 4.378 ( 0.000 3.354 -5.850) 6.744 4.604 ( 0.000 -3.842 -8.604) 9.423 4.815 ( 0.000 2.693 0.549) 2.749 4.860 ( 0.000 8.941 2.193) 9.206 4.993 ( 0.000 1.583 -4.108) 4.403 5.040 ( 0.000 2.770 -3.071) 4.136 5.168 ( 0.000 -1.376 3.025) 3.323 5.200 ( 0.000 -3.725 3.415) 5.053 5.285 ( 0.000 -3.676 -0.850) 3.774 5.298 ( 0.000 -2.844 -4.124) 5.010 5.432 ( 0.000 3.787 -0.174) 3.791 5.451 ( 0.000 2.789 0.549) 2.842 5.688 ( 0.000 1.587 -0.119) 1.591 5.701 ( 0.000 -0.448 0.886) 0.993 5.771 ( 0.000 -0.808 -1.116) 1.378 5.804 ( 0.000 -3.904 -2.550) 4.663 5.868 ( 0.000 2.554 6.157) 6.665 5.984 ( 0.000 4.662 5.491) 7.203 6.024 ( 0.000 1.722 2.451) 2.995 6.074 ( 0.000 2.000 -0.515) 2.066 6.090 ( 0.000 3.821 2.230) 4.424 6.141 ( 0.000 0.244 -2.781) 2.792 6.171 ( 0.000 -3.465 -0.616) 3.519 6.176 ( 0.000 -5.881 -2.161) 6.265 6.354 ( 0.000 1.911 0.466) 1.967 6.428 ( 0.000 -0.549 -0.947) 1.094 6.435 ( 0.000 6.209 -4.775) 7.833 6.495 ( 0.000 -2.992 -0.857) 3.112 6.540 ( 0.000 3.829 -3.142) 4.953 6.621 ( 0.000 -1.371 -0.128) 1.377 6.670 ( 0.000 -1.858 -3.837) 4.263 6.710 ( 0.000 -3.550 -2.213) 4.183 6.781 ( 0.000 1.340 2.278) 2.643 6.804 ( 0.000 -0.965 3.410) 3.544 6.929 ( 0.000 3.778 -2.468) 4.513 7.016 ( 0.000 -0.140 -2.928) 2.932 7.180 ( 0.000 4.965 7.501) 8.995 7.259 ( 0.000 -1.191 9.451) 9.526 7.300 ( 0.000 11.356 9.225) 14.631 7.405 ( 0.000 8.972 0.890) 9.016 7.419 ( 0.000 5.812 -2.558) 6.350 7.504 ( 0.000 3.427 -2.034) 3.985 7.592 ( 0.000 -1.451 -0.824) 1.669 7.633 ( 0.000 -1.475 -1.722) 2.267 7.736 ( 0.000 1.701 -1.191) 2.076 7.764 ( 0.000 6.654 0.208) 6.658 7.831 ( 0.000 1.232 0.878) 1.513 7.899 ( 0.000 2.282 -2.840) 3.643 7.935 ( 0.000 4.508 -3.972) 6.008 7.948 ( 0.000 1.290 -3.986) 4.190 8.023 ( 0.000 2.256 -0.516) 2.314 8.065 ( 0.000 0.122 -3.482) 3.484 8.435 ( 0.000 -24.336 -2.082) 24.425 8.462 ( 0.000 -19.984 -4.247) 20.430 8.539 ( 0.000 -21.430 12.273) 24.695 8.743 ( 0.000 -5.328 5.989) 8.016 8.843 ( 0.000 -8.103 9.182) 12.246 8.905 ( 0.000 -23.663 -3.572) 23.931 9.462 ( 0.000 0.510 1.954) 2.019 9.509 ( 0.000 -2.367 2.076) 3.149 9.818 ( 0.000 -1.385 0.852) 1.626 10.093 ( 0.000 -13.309 -5.482) 14.394 10.580 ( 0.000 -0.575 3.350) 3.399 10.583 ( 0.000 -0.144 4.731) 4.733 10.703 ( 0.000 2.581 1.670) 3.074 10.808 ( 0.000 -0.635 -2.103) 2.197 10.906 ( 0.000 15.529 0.873) 15.554 11.006 ( 0.000 14.562 -3.621) 15.006 11.352 ( 0.000 1.240 1.748) 2.143 11.407 ( 0.000 -0.871 -0.611) 1.064 11.819 ( 0.000 8.566 3.373) 9.206 12.006 ( 0.000 12.563 -3.803) 13.126 12.221 ( 0.000 -4.927 4.275) 6.523 12.520 ( 0.000 -8.075 -7.950) 11.331 16.652 ( 0.000 1.991 -0.809) 2.149 16.681 ( 0.000 2.472 -1.175) 2.738 16.751 ( 0.000 -1.842 -1.097) 2.144 16.782 ( 0.000 -1.634 -2.951) 3.373 16.962 ( 0.000 1.912 2.727) 3.330 17.017 ( 0.000 -0.760 -0.816) 1.115 17.116 ( 0.000 2.545 8.542) 8.913 17.196 ( 0.000 -0.999 5.801) 5.886 17.345 ( 0.000 -1.199 1.255) 1.736 17.390 ( 0.000 0.059 -2.487) 2.488 17.391 ( 0.000 0.016 -2.263) 2.263 17.397 ( 0.000 -3.780 0.183) 3.784 17.666 ( 0.000 3.240 -4.012) 5.157 17.685 ( 0.000 2.548 -4.959) 5.576 17.953 ( 0.000 2.836 -3.214) 4.286 17.989 ( 0.000 3.680 -9.903) 10.565 18.424 ( 0.000 6.908 -4.307) 8.141 18.451 ( 0.000 6.203 -5.496) 8.287 18.811 ( 0.000 -1.017 6.848) 6.923 18.969 ( 0.000 -7.112 -0.392) 7.122 19.721 ( 0.000 2.804 4.060) 4.934 19.858 ( 0.000 1.987 0.974) 2.213 20.005 ( 0.000 -5.569 11.021) 12.348 20.281 ( 0.000 -10.516 -1.922) 10.691 107.932 ( 0.000 0.128 -0.108) 0.167 107.934 ( 0.000 0.118 -0.195) 0.227 107.938 ( 0.000 0.078 -0.080) 0.112 107.938 ( 0.000 0.137 -0.018) 0.138 107.965 ( 0.000 0.308 0.013) 0.309 107.969 ( 0.000 0.157 -0.069) 0.171 107.993 ( 0.000 -0.151 0.257) 0.298 108.002 ( 0.000 -0.561 -0.025) 0.561 ======================= Grid point 82 (32/60) ======================= q-point: ( 0.12 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( 8.387 16.631 11.126) 21.696 1.308 ( 14.090 9.053 12.378) 20.825 1.558 ( 4.179 2.288 0.817) 4.834 1.626 ( 5.145 -5.051 -5.172) 8.873 1.773 ( 5.492 -1.430 6.326) 8.498 1.877 ( -0.348 -7.758 4.682) 9.068 1.924 ( 14.245 2.402 -0.655) 14.461 2.119 ( 2.306 0.507 -2.279) 3.281 2.158 ( 0.495 0.487 6.148) 6.187 2.225 ( 7.362 16.295 5.286) 18.646 2.417 ( 1.355 9.151 -4.628) 10.344 2.524 ( 1.727 11.692 -2.422) 12.065 2.547 ( 1.870 -7.858 -3.395) 8.762 2.839 ( -3.321 -6.529 -3.873) 8.286 2.875 ( -2.191 1.051 -1.764) 3.003 2.921 ( -3.514 -0.447 -1.235) 3.752 2.966 ( -5.146 -3.075 -0.446) 6.011 3.001 ( -0.047 -1.605 -6.306) 6.507 3.066 ( 1.643 5.514 5.239) 7.781 3.115 ( 1.073 0.866 -1.015) 1.712 3.184 ( -0.438 3.908 0.333) 3.946 3.305 ( -0.974 -0.045 2.439) 2.627 3.331 ( 0.798 -2.957 -2.727) 4.101 3.430 ( 5.685 2.367 -1.761) 6.404 3.468 ( 2.268 0.198 -7.704) 8.034 3.584 ( 2.352 -2.147 -1.118) 3.375 3.638 ( 1.801 3.296 -2.995) 4.804 3.673 ( 1.032 3.807 -7.037) 8.067 3.771 ( 3.488 3.168 -2.122) 5.167 3.790 ( 2.378 3.527 -1.687) 4.576 3.879 ( -4.286 -0.532 2.689) 5.088 3.940 ( 1.125 -2.027 2.652) 3.523 4.023 ( -1.940 -0.580 2.668) 3.349 4.077 ( 1.299 -2.629 1.957) 3.525 4.124 ( 0.239 3.148 2.836) 4.244 4.158 ( -0.458 1.716 3.105) 3.577 4.274 ( -0.166 0.918 0.724) 1.181 4.310 ( -2.056 -2.216 2.714) 4.062 4.385 ( 0.571 0.764 -4.350) 4.453 4.548 ( -4.586 -2.818 -7.784) 9.463 4.748 ( -5.398 1.519 0.814) 5.666 4.802 ( -4.562 6.547 2.026) 8.232 4.887 ( -8.778 -0.540 -3.923) 9.630 4.964 ( -7.612 0.842 -4.513) 8.890 5.105 ( -4.410 -0.297 3.599) 5.700 5.150 ( -4.257 -1.310 3.358) 5.578 5.192 ( -7.670 -1.392 -0.575) 7.816 5.268 ( -2.961 -2.170 -2.384) 4.377 5.413 ( -1.142 2.797 -0.109) 3.023 5.442 ( -1.215 2.343 -0.903) 2.790 5.609 ( -5.499 1.027 0.654) 5.632 5.663 ( -3.736 -0.740 0.191) 3.814 5.753 ( -1.083 -0.493 -1.700) 2.075 5.784 ( -0.668 -2.506 -1.584) 3.039 5.871 ( -0.324 2.979 4.287) 5.230 5.968 ( -2.913 5.881 3.828) 7.598 6.006 ( -3.539 2.959 -0.083) 4.613 6.020 ( -2.547 -1.876 2.063) 3.776 6.110 ( -0.452 -2.519 0.108) 2.562 6.154 ( 1.932 1.746 1.043) 2.806 6.192 ( 0.170 -0.682 -2.454) 2.553 6.253 ( 3.509 -1.927 -1.640) 4.326 6.352 ( -2.160 2.138 2.106) 3.698 6.433 ( 0.634 0.879 -0.212) 1.105 6.473 ( 1.122 0.641 -4.704) 4.878 6.507 ( 4.380 1.931 -0.598) 4.824 6.608 ( 1.430 1.542 -3.345) 3.951 6.617 ( -0.413 1.127 -0.130) 1.207 6.670 ( 3.471 -1.853 -1.056) 4.074 6.714 ( 4.084 0.179 -1.839) 4.483 6.843 ( 3.711 -3.820 1.069) 5.432 6.870 ( 8.569 -2.496 -0.372) 8.933 6.933 ( -0.079 4.821 -2.620) 5.487 7.051 ( 2.238 0.383 -2.483) 3.365 7.178 ( -1.274 4.657 6.997) 8.501 7.254 ( -3.599 5.744 6.043) 9.081 7.297 ( 1.508 3.018 8.804) 9.429 7.391 ( -6.976 -2.397 -0.314) 7.383 7.440 ( 2.887 6.070 -0.382) 6.732 7.454 ( 0.215 9.421 1.260) 9.507 7.513 ( -0.613 0.885 -0.184) 1.092 7.683 ( 2.224 3.500 1.484) 4.404 7.714 ( -1.637 6.481 -3.646) 7.614 7.802 ( 3.408 1.908 -0.409) 3.927 7.831 ( 1.706 -1.257 -0.509) 2.179 7.875 ( -0.623 4.266 0.640) 4.358 7.937 ( 1.941 2.276 -4.695) 5.567 7.990 ( 0.144 -1.038 1.769) 2.056 8.087 ( 6.920 1.050 -5.981) 9.207 8.148 ( 2.513 3.329 -0.932) 4.274 8.390 ( -1.466 -22.043 1.533) 22.145 8.477 ( 0.682 -19.217 -2.704) 19.418 8.660 ( 7.901 -22.630 2.426) 24.092 8.757 ( -2.430 -7.271 8.435) 11.398 8.831 ( -0.285 -14.197 1.127) 14.244 8.878 ( 0.200 -17.508 0.127) 17.510 9.536 ( 6.800 0.350 1.464) 6.965 9.575 ( 6.757 -1.755 -0.194) 6.984 9.845 ( 2.713 -1.103 1.833) 3.455 10.042 ( -3.607 -9.554 -3.930) 10.942 10.549 ( -2.586 0.534 3.167) 4.123 10.597 ( 0.580 -1.284 3.763) 4.018 10.696 ( -0.971 1.377 1.265) 2.106 10.832 ( 1.314 -1.990 -2.445) 3.415 10.915 ( 0.778 15.430 0.787) 15.469 10.999 ( -0.665 13.632 -3.052) 13.985 11.342 ( -1.028 2.257 1.840) 3.088 11.400 ( -0.794 -0.580 -0.612) 1.158 11.813 ( -0.495 7.603 2.965) 8.175 11.984 ( -1.986 11.709 -3.573) 12.402 12.200 ( -1.785 -5.166 3.715) 6.609 12.452 ( -5.755 -6.180 -6.404) 10.598 16.612 ( -3.116 1.658 0.182) 3.535 16.644 ( -3.441 1.718 0.388) 3.865 16.682 ( -4.356 -0.763 0.989) 4.532 16.757 ( -6.115 -2.107 1.911) 6.744 16.921 ( -2.851 1.967 1.086) 3.630 16.973 ( 0.123 -0.874 -4.159) 4.252 17.093 ( -1.690 2.673 -1.761) 3.620 17.217 ( -5.869 -2.960 -3.024) 7.236 17.315 ( -3.842 1.199 0.145) 4.028 17.369 ( -0.985 -1.617 0.767) 2.043 17.382 ( 4.980 1.104 2.023) 5.487 17.434 ( 2.211 -1.768 2.937) 4.080 17.671 ( -0.311 4.010 -3.574) 5.381 17.703 ( 1.102 2.179 -1.976) 3.141 17.852 ( -6.713 6.008 -1.778) 9.182 17.896 ( -4.674 2.177 -2.625) 5.786 18.481 ( 5.148 6.994 -1.357) 8.789 18.548 ( 5.210 6.015 -4.084) 8.945 18.850 ( 3.553 -4.415 3.489) 6.655 18.970 ( 0.304 -7.647 -0.357) 7.662 19.726 ( 0.549 2.788 3.932) 4.851 19.867 ( 0.637 0.261 3.125) 3.200 19.967 ( -1.959 0.249 6.614) 6.902 20.342 ( 2.434 -14.165 -5.529) 15.399 107.927 ( -0.344 0.387 -0.028) 0.518 107.929 ( -0.274 0.371 -0.099) 0.472 107.940 ( 0.158 -0.185 -0.077) 0.255 107.941 ( 0.175 -0.088 -0.057) 0.204 107.968 ( 0.355 0.326 0.123) 0.498 107.976 ( 0.538 -0.025 -0.202) 0.575 107.995 ( 0.206 -0.111 0.245) 0.339 108.004 ( 0.168 -0.473 -0.056) 0.505 ======================= Grid point 83 (33/60) ======================= q-point: ( 0.25 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( 12.631 12.500 2.730) 17.979 1.559 ( 9.044 0.814 5.851) 10.802 1.639 ( 4.217 7.732 -2.703) 9.212 1.752 ( 5.875 3.419 -7.076) 9.812 1.866 ( 4.321 2.474 4.599) 6.778 1.922 ( 4.027 3.674 8.958) 10.487 2.004 ( -5.209 4.628 0.610) 6.995 2.252 ( 10.388 -1.020 -8.513) 13.469 2.301 ( 8.036 -8.623 5.076) 12.833 2.440 ( 0.723 2.360 -2.968) 3.860 2.493 ( -1.523 3.690 -1.442) 4.244 2.536 ( 0.156 -1.558 -0.579) 1.669 2.585 ( 15.559 4.962 1.776) 16.427 2.665 ( -7.705 5.945 -2.102) 9.957 2.844 ( 0.697 -0.401 4.061) 4.140 2.880 ( 1.710 -2.410 -3.152) 4.321 2.916 ( -2.282 -1.410 -0.641) 2.758 3.021 ( 3.279 -1.115 -2.598) 4.329 3.129 ( 4.657 5.490 3.770) 8.126 3.173 ( -0.023 2.143 1.871) 2.845 3.214 ( 2.745 2.690 -1.922) 4.297 3.292 ( 1.592 -4.232 3.483) 5.708 3.364 ( 2.739 -1.054 1.555) 3.321 3.538 ( 3.573 5.012 -4.700) 7.744 3.550 ( 4.643 -0.753 -5.829) 7.490 3.618 ( 1.987 -1.204 2.597) 3.485 3.671 ( -1.343 5.879 -6.413) 8.803 3.717 ( 5.339 3.391 0.111) 6.326 3.778 ( -2.752 1.935 1.992) 3.909 3.852 ( 3.272 1.522 -1.330) 3.846 3.892 ( 5.412 2.541 -4.509) 7.488 3.958 ( -0.441 3.789 -0.625) 3.866 3.978 ( 0.648 -3.260 2.911) 4.418 4.084 ( -0.680 -3.645 2.685) 4.578 4.160 ( -0.162 0.691 2.314) 2.421 4.170 ( 2.714 -2.271 0.471) 3.570 4.252 ( -2.782 2.154 5.101) 6.197 4.273 ( 0.564 -0.235 1.941) 2.035 4.388 ( -0.625 -1.242 -1.998) 2.434 4.457 ( -3.390 -2.791 -6.083) 7.502 4.624 ( -6.374 -0.797 -0.739) 6.466 4.667 ( -10.449 -3.265 -4.022) 11.663 4.725 ( -2.677 2.644 -1.248) 3.964 4.791 ( -6.793 -0.431 -4.075) 7.933 4.971 ( -9.234 -0.286 2.817) 9.658 4.995 ( -8.564 -1.339 2.973) 9.164 5.067 ( -4.662 1.175 2.940) 5.636 5.185 ( -5.082 -2.008 -2.696) 6.093 5.385 ( -3.902 2.547 -0.658) 4.706 5.397 ( -1.114 1.648 0.446) 2.039 5.509 ( -3.266 0.004 3.148) 4.536 5.568 ( -4.610 -0.808 0.036) 4.680 5.708 ( -3.966 3.271 1.472) 5.347 5.784 ( 0.082 -0.257 1.077) 1.110 5.856 ( -1.193 1.563 1.364) 2.393 5.864 ( -4.180 4.254 2.039) 6.303 5.920 ( -3.693 -1.062 0.566) 3.884 5.990 ( -2.514 1.325 0.660) 2.918 6.085 ( -2.315 -0.910 1.334) 2.823 6.106 ( -4.131 -1.090 -1.461) 4.515 6.177 ( -0.990 -2.807 -1.080) 3.166 6.207 ( -4.957 -5.630 -1.705) 7.692 6.377 ( 1.802 7.159 -4.888) 8.854 6.430 ( -1.297 3.146 1.308) 3.646 6.497 ( 1.051 -1.451 -3.476) 3.911 6.546 ( -2.231 5.388 -5.575) 8.068 6.601 ( 2.416 -1.165 1.939) 3.309 6.705 ( 4.490 0.767 0.141) 4.558 6.745 ( 3.469 1.565 0.594) 3.851 6.832 ( 1.702 5.437 -2.285) 6.138 6.920 ( 0.278 -1.961 -5.079) 5.452 6.953 ( 6.518 1.391 -2.638) 7.168 7.038 ( -2.239 3.590 2.035) 4.695 7.087 ( 5.774 -1.649 -0.424) 6.020 7.094 ( -0.697 -0.238 -0.490) 0.884 7.179 ( -0.448 1.896 2.619) 3.264 7.308 ( -1.739 3.907 5.988) 7.358 7.359 ( 3.693 -0.131 6.680) 7.634 7.446 ( 1.132 0.599 0.586) 1.408 7.531 ( 3.506 7.901 3.654) 9.385 7.576 ( 4.977 1.979 -0.011) 5.356 7.689 ( 1.258 9.166 -2.648) 9.623 7.761 ( 3.029 2.986 -1.417) 4.483 7.850 ( 1.934 3.392 0.984) 4.027 7.879 ( 1.321 5.549 1.493) 5.896 7.919 ( 4.333 -0.494 2.117) 4.847 7.968 ( 1.681 -0.095 -2.082) 2.678 8.023 ( 2.450 -1.777 3.698) 4.778 8.123 ( -3.870 4.022 1.872) 5.887 8.224 ( 6.059 -0.441 -6.009) 8.544 8.371 ( -0.586 -18.292 1.042) 18.331 8.489 ( 0.087 -18.468 0.592) 18.477 8.656 ( -5.178 -7.743 4.909) 10.529 8.759 ( -2.301 -22.322 -1.569) 22.495 8.804 ( 3.541 -22.115 -2.798) 22.571 8.938 ( 0.501 -12.761 -5.118) 13.759 9.734 ( 11.635 0.252 1.617) 11.749 9.779 ( 12.052 -1.852 -1.212) 12.253 9.940 ( 6.686 -0.418 2.714) 7.228 10.017 ( 2.708 -3.580 -0.379) 4.504 10.475 ( -4.536 1.642 2.305) 5.347 10.581 ( -2.555 -3.111 2.927) 4.977 10.648 ( -3.926 0.538 -0.375) 3.980 10.830 ( -1.912 -4.597 -2.258) 5.467 10.935 ( 0.998 16.947 0.325) 16.979 10.974 ( -1.737 13.387 -1.727) 13.609 11.310 ( -1.842 4.525 1.782) 5.201 11.373 ( -1.729 0.489 -0.734) 1.941 11.804 ( -0.185 5.683 2.031) 6.038 11.931 ( -2.862 9.580 -2.769) 10.375 12.159 ( -1.823 -5.865 2.465) 6.618 12.319 ( -6.254 -4.460 -3.807) 8.573 16.536 ( -4.517 1.455 1.102) 4.871 16.549 ( -4.509 0.553 0.993) 4.650 16.592 ( -6.362 -1.088 3.115) 7.167 16.604 ( -4.367 -1.214 3.453) 5.699 16.862 ( -2.431 2.532 -0.363) 3.529 16.968 ( -5.008 -0.622 -5.363) 7.364 17.003 ( -4.672 -0.470 -5.659) 7.353 17.065 ( -5.738 -1.453 -8.045) 9.988 17.280 ( 0.927 1.666 0.286) 1.928 17.350 ( -0.590 -1.717 2.078) 2.759 17.417 ( -0.775 3.755 -0.400) 3.855 17.518 ( 3.148 -1.693 1.929) 4.062 17.671 ( 0.839 3.758 1.954) 4.318 17.693 ( -1.489 2.955 -0.687) 3.380 17.788 ( -0.634 3.800 2.511) 4.598 17.832 ( -0.773 1.378 1.738) 2.349 18.598 ( 5.390 7.236 0.087) 9.023 18.633 ( 3.371 6.409 0.270) 7.246 18.941 ( 4.554 -7.519 -0.259) 8.794 18.987 ( 1.273 -8.497 -0.230) 8.594 19.749 ( 1.667 2.562 2.963) 4.256 19.878 ( 0.493 -1.662 4.897) 5.195 19.936 ( -1.371 4.077 0.566) 4.339 20.312 ( -5.144 -12.701 -7.452) 15.598 107.921 ( -0.235 0.594 0.047) 0.640 107.924 ( -0.249 0.542 -0.067) 0.600 107.943 ( 0.096 -0.427 -0.025) 0.438 107.944 ( 0.097 -0.356 -0.040) 0.372 107.979 ( 0.616 0.280 0.136) 0.691 107.988 ( 0.589 -0.065 -0.251) 0.643 108.001 ( 0.295 -0.072 0.233) 0.383 108.009 ( 0.251 -0.355 -0.098) 0.446 ======================= Grid point 84 (34/60) ======================= q-point: ( 0.38 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( 8.259 9.107 -4.270) 13.015 1.645 ( 1.653 7.227 -4.304) 8.572 1.793 ( 7.039 3.784 -2.833) 8.479 1.831 ( 2.503 4.256 -5.425) 7.336 1.928 ( 1.373 1.043 6.863) 7.076 1.952 ( 1.163 -5.457 3.709) 6.700 2.069 ( 8.554 13.995 4.539) 17.019 2.203 ( -10.648 -6.306 -4.874) 13.301 2.272 ( -7.947 -2.318 -0.409) 8.288 2.380 ( -1.307 10.855 -3.067) 11.355 2.536 ( 5.347 3.008 -1.544) 6.327 2.618 ( 3.636 7.792 -4.808) 9.851 2.667 ( 2.410 -3.500 5.154) 6.680 2.802 ( 0.682 0.980 3.967) 4.143 2.854 ( -0.964 -6.638 -0.920) 6.770 2.967 ( 9.894 -0.812 1.493) 10.039 3.016 ( 10.238 -9.614 -3.184) 14.401 3.101 ( -0.186 1.066 -2.475) 2.701 3.162 ( 2.023 5.807 1.513) 6.332 3.210 ( 0.380 2.785 2.025) 3.464 3.222 ( 1.714 2.162 -2.408) 3.662 3.360 ( 3.721 4.148 3.183) 6.417 3.431 ( 2.132 -1.828 0.067) 2.809 3.542 ( -1.158 4.344 -1.115) 4.632 3.617 ( 0.547 1.807 0.263) 1.906 3.660 ( 2.465 3.624 4.056) 5.972 3.716 ( 2.441 -1.002 -2.120) 3.385 3.800 ( 7.661 0.609 0.123) 7.686 3.847 ( 1.593 1.447 -0.022) 2.153 3.859 ( 0.683 3.985 0.924) 4.147 3.934 ( -2.539 0.644 1.374) 2.957 3.995 ( 4.591 -1.231 -1.338) 4.938 4.023 ( -0.090 -3.129 -0.091) 3.132 4.053 ( 1.764 -0.357 -2.036) 2.717 4.141 ( -1.369 0.913 1.150) 2.007 4.213 ( 2.230 0.381 4.828) 5.332 4.218 ( -0.636 -0.327 -2.924) 3.011 4.304 ( -0.486 0.005 2.564) 2.609 4.349 ( -4.040 0.624 -1.252) 4.275 4.407 ( -0.614 -4.228 -0.635) 4.319 4.472 ( -5.265 -3.513 -3.115) 7.054 4.551 ( 0.546 -7.581 -5.078) 9.140 4.703 ( -3.961 2.762 0.800) 4.895 4.724 ( 0.890 0.752 -2.196) 2.486 4.797 ( -3.399 -0.293 0.001) 3.412 4.829 ( -6.760 -2.375 1.391) 7.299 4.962 ( -5.052 1.025 2.144) 5.583 5.065 ( -6.082 -1.818 -1.897) 6.625 5.290 ( -3.694 3.432 3.214) 5.980 5.378 ( -2.351 1.907 3.864) 4.908 5.425 ( -3.638 -0.288 5.665) 6.739 5.518 ( -0.732 -2.641 3.291) 4.283 5.647 ( 0.779 3.188 3.606) 4.876 5.735 ( -5.605 3.118 3.379) 7.250 5.771 ( -5.023 -0.598 0.415) 5.075 5.846 ( 2.659 1.630 1.541) 3.479 5.913 ( -1.366 -1.365 -0.257) 1.949 5.929 ( -1.017 -0.635 1.082) 1.615 5.999 ( -3.266 1.830 -3.991) 5.472 6.049 ( -2.065 0.039 -1.553) 2.584 6.123 ( -2.272 -1.769 2.105) 3.567 6.180 ( -1.041 -4.759 -4.950) 6.945 6.298 ( -5.835 1.544 -7.037) 9.271 6.328 ( -9.049 2.331 -1.388) 9.447 6.500 ( 2.216 2.243 -3.650) 4.823 6.581 ( 2.221 3.992 -3.342) 5.660 6.613 ( 0.109 -2.416 -1.859) 3.050 6.719 ( -3.991 -2.361 -7.452) 8.777 6.838 ( 4.766 7.521 1.573) 9.042 6.842 ( 2.871 9.179 3.647) 10.285 6.928 ( 1.513 3.476 -5.367) 6.571 7.032 ( 0.665 1.997 0.200) 2.114 7.059 ( 2.390 2.451 -1.694) 3.819 7.092 ( 1.151 0.395 0.509) 1.320 7.167 ( 1.588 -3.628 0.888) 4.059 7.224 ( 0.630 -0.650 0.079) 0.908 7.313 ( 2.516 5.412 3.844) 7.099 7.387 ( -0.879 5.976 2.531) 6.550 7.512 ( 4.724 -6.757 0.150) 8.246 7.591 ( 4.206 6.381 3.499) 8.405 7.690 ( 1.860 -0.517 -2.448) 3.118 7.709 ( 1.231 6.241 1.294) 6.491 7.807 ( 1.197 2.948 -1.416) 3.483 7.874 ( -0.972 5.134 -0.336) 5.236 7.923 ( 2.758 6.607 4.723) 8.577 7.953 ( 1.628 3.189 1.126) 3.753 8.003 ( -4.449 3.341 4.576) 7.204 8.023 ( 0.762 4.741 5.851) 7.569 8.139 ( 6.762 -7.843 1.512) 10.465 8.330 ( 0.754 -0.713 -2.272) 2.497 8.370 ( 3.435 -16.660 -0.571) 17.020 8.492 ( 1.542 -10.149 2.612) 10.593 8.572 ( -2.952 -16.571 -4.497) 17.422 8.741 ( 0.824 -22.706 1.693) 22.784 8.822 ( -4.596 -15.394 -5.487) 16.977 8.864 ( -4.003 -17.432 -5.031) 18.580 9.978 ( 10.847 0.967 2.961) 11.285 10.051 ( 13.344 -2.072 0.058) 13.504 10.119 ( 9.424 -0.246 0.762) 9.458 10.177 ( 12.293 -2.343 -0.427) 12.522 10.358 ( -6.562 1.747 1.796) 7.024 10.483 ( -6.709 -3.661 2.650) 8.089 10.526 ( -7.744 0.623 -1.657) 7.944 10.724 ( -8.805 -8.272 -3.626) 12.614 10.937 ( -0.109 18.090 0.630) 18.101 10.960 ( 0.078 16.742 0.285) 16.745 11.279 ( -0.763 5.921 1.012) 6.055 11.330 ( -2.291 2.561 -0.842) 3.538 11.808 ( 0.605 4.619 0.996) 4.764 11.873 ( -2.494 7.061 -1.454) 7.629 12.134 ( -0.374 -6.418 1.104) 6.523 12.209 ( -4.156 -4.955 -1.748) 6.700 16.449 ( -2.588 -0.055 0.655) 2.670 16.471 ( -3.114 -0.063 0.342) 3.133 16.481 ( -3.300 0.106 1.014) 3.453 16.530 ( -3.875 -1.260 1.427) 4.317 16.830 ( -0.325 0.488 0.069) 0.590 16.853 ( -3.621 1.309 -1.586) 4.164 16.889 ( -4.469 -0.982 -2.694) 5.310 16.979 ( -4.708 -2.982 -2.513) 6.113 17.330 ( 3.240 2.103 -1.779) 4.253 17.353 ( 0.895 0.004 -1.027) 1.362 17.396 ( -0.884 3.604 -2.391) 4.414 17.507 ( -3.325 -1.781 -3.336) 5.035 17.680 ( 1.251 4.875 2.032) 5.428 17.714 ( 1.365 3.711 2.981) 4.952 17.789 ( 0.699 1.903 4.505) 4.940 17.833 ( -0.009 0.346 4.435) 4.449 18.688 ( 3.076 6.619 0.919) 7.357 18.697 ( 2.605 6.087 1.330) 6.754 19.013 ( 1.997 -8.391 -0.941) 8.676 19.023 ( 2.017 -8.559 -0.718) 8.823 19.795 ( 2.633 2.039 1.135) 3.518 19.886 ( -0.917 3.389 -1.339) 3.757 19.915 ( 1.053 -1.988 3.056) 3.795 20.161 ( -8.376 -8.287 -5.267) 12.906 107.917 ( -0.079 0.671 0.044) 0.677 107.919 ( -0.166 0.638 -0.034) 0.660 107.944 ( 0.049 -0.586 -0.003) 0.588 107.945 ( 0.027 -0.549 -0.021) 0.550 107.991 ( 0.527 0.272 0.102) 0.602 107.998 ( 0.303 0.148 -0.180) 0.382 108.007 ( 0.296 -0.210 0.162) 0.397 108.013 ( 0.102 -0.308 -0.095) 0.338 ======================= Grid point 85 (35/60) ======================= q-point: (-0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( -2.322 10.192 -7.636) 12.945 1.644 ( 2.322 10.192 -7.636) 12.945 1.877 ( -4.013 -3.339 -0.272) 5.227 1.877 ( 4.013 -3.339 -0.272) 5.227 1.955 ( -7.147 3.054 -0.926) 7.827 1.955 ( 7.147 3.054 -0.926) 7.827 2.089 ( -5.052 -4.727 0.745) 6.959 2.089 ( 5.052 -4.727 0.745) 6.959 2.298 ( -7.021 14.293 2.514) 16.122 2.298 ( 7.021 14.293 2.514) 16.122 2.604 ( -2.801 6.142 -3.139) 7.445 2.604 ( 2.801 6.142 -3.139) 7.445 2.749 ( -4.479 -2.030 1.707) 5.206 2.749 ( 4.479 -2.030 1.707) 5.206 2.954 ( -7.984 -4.103 -3.163) 9.518 2.954 ( 7.984 -4.103 -3.163) 9.518 3.117 ( -3.913 -5.613 1.944) 7.113 3.117 ( 3.913 -5.613 1.944) 7.113 3.195 ( -2.100 -0.115 -2.262) 3.089 3.195 ( 2.100 -0.115 -2.262) 3.089 3.370 ( -6.556 4.282 2.611) 8.254 3.370 ( 6.556 4.282 2.611) 8.254 3.495 ( -9.766 9.370 3.052) 13.874 3.495 ( 9.766 9.370 3.052) 13.874 3.599 ( -1.774 -2.083 1.980) 3.377 3.599 ( 1.774 -2.083 1.980) 3.377 3.811 ( -4.876 -1.754 -0.563) 5.213 3.811 ( 4.876 -1.754 -0.563) 5.213 3.889 ( -5.084 2.577 -1.537) 5.904 3.889 ( 5.084 2.577 -1.537) 5.904 3.979 ( -4.514 -1.826 -0.962) 4.964 3.979 ( 4.514 -1.826 -0.962) 4.964 4.050 ( -4.076 3.140 2.043) 5.536 4.050 ( 4.076 3.140 2.043) 5.536 4.201 ( -4.240 -0.799 -1.227) 4.486 4.201 ( 4.240 -0.799 -1.227) 4.486 4.233 ( -3.928 -1.885 -4.008) 5.920 4.233 ( 3.928 -1.885 -4.008) 5.920 4.337 ( -4.494 -4.744 1.941) 6.817 4.337 ( 4.494 -4.744 1.941) 6.817 4.526 ( -7.905 1.416 3.007) 8.575 4.526 ( 7.905 1.416 3.007) 8.575 4.660 ( -6.904 -5.036 -1.825) 8.738 4.660 ( 6.904 -5.036 -1.825) 8.738 4.810 ( -3.544 2.915 -1.174) 4.737 4.810 ( 3.544 2.915 -1.174) 4.737 4.933 ( -5.246 -1.827 -1.354) 5.718 4.933 ( 5.246 -1.827 -1.354) 5.718 5.280 ( -3.257 4.508 7.592) 9.411 5.280 ( 3.257 4.508 7.592) 9.411 5.467 ( -4.694 -4.614 4.824) 8.160 5.467 ( 4.694 -4.614 4.824) 8.160 5.664 ( -1.400 2.381 3.298) 4.302 5.664 ( 1.400 2.381 3.298) 4.302 5.777 ( -6.721 -1.736 0.168) 6.944 5.777 ( 6.721 -1.736 0.168) 6.944 5.927 ( -3.576 3.783 0.624) 5.243 5.927 ( 3.576 3.783 0.624) 5.243 6.006 ( -2.364 2.256 -0.553) 3.314 6.006 ( 2.364 2.256 -0.553) 3.314 6.107 ( -4.152 0.167 -4.888) 6.416 6.107 ( 4.152 0.167 -4.888) 6.416 6.231 ( -0.943 -4.148 -2.289) 4.830 6.231 ( 0.943 -4.148 -2.289) 4.830 6.568 ( -3.209 2.078 -3.991) 5.527 6.568 ( 3.209 2.078 -3.991) 5.527 6.639 ( -2.324 -1.121 -6.869) 7.338 6.639 ( 2.324 -1.121 -6.869) 7.338 6.889 ( -0.662 7.087 2.268) 7.471 6.889 ( 0.662 7.087 2.268) 7.471 6.992 ( -4.043 7.910 -4.316) 9.877 6.992 ( 4.043 7.910 -4.316) 9.877 7.096 ( -1.032 0.728 1.647) 2.076 7.096 ( 1.032 0.728 1.647) 2.076 7.202 ( -1.775 -3.259 0.943) 3.829 7.202 ( 1.775 -3.259 0.943) 3.829 7.358 ( -1.601 4.829 0.952) 5.176 7.358 ( 1.601 4.829 0.952) 5.176 7.624 ( -5.129 -3.561 0.717) 6.285 7.624 ( 5.129 -3.561 0.717) 6.285 7.696 ( -3.791 3.730 0.578) 5.350 7.696 ( 3.791 3.730 0.578) 5.350 7.835 ( -1.806 5.291 -2.003) 5.938 7.835 ( 1.806 5.291 -2.003) 5.938 7.953 ( -0.815 4.635 6.789) 8.261 7.953 ( 0.815 4.635 6.789) 8.261 8.003 ( -2.244 5.214 4.181) 7.050 8.003 ( 2.244 5.214 4.181) 7.050 8.267 ( -4.780 -7.922 1.526) 9.378 8.267 ( 4.780 -7.922 1.526) 9.378 8.480 ( -4.279 -11.878 -2.403) 12.852 8.480 ( 4.279 -11.878 -2.403) 12.852 8.625 ( -8.727 -11.479 -4.815) 15.202 8.625 ( 8.727 -11.479 -4.815) 15.202 8.805 ( -2.985 -21.900 -0.086) 22.102 8.805 ( 2.985 -21.900 -0.086) 22.102 10.183 ( -8.731 2.205 2.303) 9.295 10.183 ( 8.731 2.205 2.303) 9.295 10.296 ( -5.712 -1.960 2.292) 6.459 10.296 ( 5.712 -1.960 2.292) 6.459 10.339 ( -5.715 -0.734 -1.344) 5.917 10.339 ( 5.715 -0.734 -1.344) 5.917 10.478 ( -13.941 -5.833 -2.977) 15.402 10.478 ( 13.941 -5.833 -2.977) 15.402 10.950 ( -0.894 17.410 0.744) 17.449 10.950 ( 0.894 17.410 0.744) 17.449 11.287 ( -1.481 4.930 -0.239) 5.153 11.287 ( 1.481 4.930 -0.239) 5.153 11.831 ( -1.546 5.156 -0.122) 5.384 11.831 ( 1.546 5.156 -0.122) 5.384 12.148 ( -1.728 -6.060 -0.223) 6.305 12.148 ( 1.728 -6.060 -0.223) 6.305 16.435 ( -0.654 -0.026 -0.165) 0.674 16.435 ( 0.654 -0.026 -0.165) 0.674 16.458 ( -1.886 -0.775 -0.266) 2.056 16.458 ( 1.886 -0.775 -0.266) 2.056 16.825 ( -0.710 0.551 -0.329) 0.957 16.825 ( 0.710 0.551 -0.329) 0.957 16.881 ( -3.749 -1.950 1.017) 4.347 16.881 ( 3.749 -1.950 1.017) 4.347 17.367 ( -0.821 2.847 -1.494) 3.319 17.367 ( 0.821 2.847 -1.494) 3.319 17.426 ( -3.943 -0.522 -4.635) 6.108 17.426 ( 3.943 -0.522 -4.635) 6.108 17.712 ( -1.318 5.224 1.866) 5.701 17.712 ( 1.318 5.224 1.866) 5.701 17.817 ( -1.470 -0.093 5.588) 5.779 17.817 ( 1.470 -0.093 5.588) 5.779 18.724 ( -0.254 6.088 1.337) 6.238 18.724 ( 0.254 6.088 1.337) 6.238 19.040 ( -0.448 -8.488 -1.015) 8.560 19.040 ( 0.448 -8.488 -1.015) 8.560 19.847 ( -2.188 2.695 -0.550) 3.515 19.847 ( 2.188 2.695 -0.550) 3.515 19.999 ( -6.412 -4.659 -1.112) 8.003 19.999 ( 6.412 -4.659 -1.112) 8.003 107.917 ( -0.055 0.680 0.008) 0.682 107.917 ( 0.055 0.680 0.008) 0.682 107.945 ( -0.017 -0.628 -0.007) 0.628 107.945 ( 0.017 -0.628 -0.007) 0.628 107.999 ( -0.192 0.280 0.020) 0.340 107.999 ( 0.192 0.280 0.020) 0.340 108.012 ( -0.178 -0.305 -0.028) 0.354 108.012 ( 0.178 -0.305 -0.028) 0.354 ======================= Grid point 90 (36/60) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( 0.000 -13.593 7.401) 15.477 1.326 ( 0.000 13.593 7.401) 15.477 1.362 ( 0.000 -12.894 10.319) 16.515 1.362 ( 0.000 12.894 10.319) 16.515 1.659 ( 0.000 -1.799 4.771) 5.099 1.659 ( 0.000 1.799 4.771) 5.099 1.903 ( 0.000 -1.316 -1.336) 1.876 1.903 ( 0.000 1.316 -1.336) 1.876 2.368 ( 0.000 -1.631 -2.355) 2.865 2.368 ( 0.000 1.631 -2.355) 2.865 2.607 ( 0.000 -7.560 -7.913) 10.944 2.607 ( 0.000 7.560 -7.913) 10.944 2.635 ( 0.000 -17.050 4.496) 17.633 2.635 ( 0.000 17.050 4.496) 17.633 2.863 ( 0.000 -0.526 -0.573) 0.778 2.863 ( 0.000 0.526 -0.573) 0.778 2.979 ( 0.000 -3.028 -7.217) 7.826 2.979 ( 0.000 3.028 -7.217) 7.826 3.159 ( 0.000 -4.534 7.086) 8.412 3.159 ( 0.000 4.534 7.086) 8.412 3.251 ( 0.000 -3.687 -5.202) 6.376 3.251 ( 0.000 3.687 -5.202) 6.376 3.379 ( 0.000 -0.853 -7.584) 7.632 3.379 ( 0.000 0.853 -7.584) 7.632 3.466 ( 0.000 -1.796 1.955) 2.655 3.466 ( 0.000 1.796 1.955) 2.655 3.664 ( 0.000 -1.490 -5.559) 5.755 3.664 ( 0.000 1.490 -5.559) 5.755 3.797 ( 0.000 -0.735 -0.418) 0.845 3.797 ( 0.000 0.735 -0.418) 0.845 3.906 ( 0.000 -2.560 1.033) 2.760 3.906 ( 0.000 2.560 1.033) 2.760 4.027 ( 0.000 -0.160 6.038) 6.040 4.027 ( 0.000 0.160 6.038) 6.040 4.175 ( 0.000 -0.848 4.115) 4.202 4.175 ( 0.000 0.848 4.115) 4.202 4.281 ( 0.000 -1.844 0.301) 1.869 4.281 ( 0.000 1.844 0.301) 1.869 4.496 ( 0.000 -6.878 -8.419) 10.871 4.496 ( 0.000 6.878 -8.419) 10.871 4.919 ( 0.000 -6.896 2.019) 7.185 4.919 ( 0.000 6.896 2.019) 7.185 5.021 ( 0.000 -6.398 0.551) 6.422 5.021 ( 0.000 6.398 0.551) 6.422 5.164 ( 0.000 -0.325 1.244) 1.285 5.164 ( 0.000 0.325 1.244) 1.285 5.243 ( 0.000 -0.958 -4.722) 4.819 5.243 ( 0.000 0.958 -4.722) 4.819 5.475 ( 0.000 -0.456 1.166) 1.252 5.475 ( 0.000 0.456 1.166) 1.252 5.705 ( 0.000 -0.150 -0.047) 0.157 5.705 ( 0.000 0.150 -0.047) 0.157 5.760 ( 0.000 -0.346 -1.646) 1.682 5.760 ( 0.000 0.346 -1.646) 1.682 5.937 ( 0.000 -4.447 5.224) 6.860 5.937 ( 0.000 4.447 5.224) 6.860 6.067 ( 0.000 -3.202 2.397) 4.000 6.067 ( 0.000 3.202 2.397) 4.000 6.130 ( 0.000 -0.331 -2.458) 2.481 6.130 ( 0.000 0.331 -2.458) 2.481 6.154 ( 0.000 -1.217 -0.159) 1.227 6.154 ( 0.000 1.217 -0.159) 1.227 6.437 ( 0.000 -4.000 1.111) 4.151 6.437 ( 0.000 4.000 1.111) 4.151 6.456 ( 0.000 -3.471 0.037) 3.472 6.456 ( 0.000 3.471 0.037) 3.472 6.614 ( 0.000 -3.656 -5.532) 6.631 6.614 ( 0.000 3.656 -5.532) 6.631 6.637 ( 0.000 -3.362 -1.448) 3.660 6.637 ( 0.000 3.362 -1.448) 3.660 6.796 ( 0.000 -0.323 1.769) 1.798 6.796 ( 0.000 0.323 1.769) 1.798 6.994 ( 0.000 -2.383 -4.119) 4.759 6.994 ( 0.000 2.383 -4.119) 4.759 7.242 ( 0.000 -1.536 9.668) 9.789 7.242 ( 0.000 1.536 9.668) 9.789 7.429 ( 0.000 -3.403 3.872) 5.155 7.429 ( 0.000 3.403 3.872) 5.155 7.556 ( 0.000 -0.224 -2.390) 2.401 7.556 ( 0.000 0.224 -2.390) 2.401 7.588 ( 0.000 -2.754 -0.818) 2.873 7.588 ( 0.000 2.754 -0.818) 2.873 7.833 ( 0.000 -3.754 4.393) 5.778 7.833 ( 0.000 3.754 4.393) 5.778 7.901 ( 0.000 -5.291 -0.908) 5.369 7.901 ( 0.000 5.291 -0.908) 5.369 7.998 ( 0.000 -3.124 -1.162) 3.333 7.998 ( 0.000 3.124 -1.162) 3.333 8.025 ( 0.000 -3.601 -6.375) 7.322 8.025 ( 0.000 3.601 -6.375) 7.322 8.145 ( 0.000 -1.625 -2.385) 2.886 8.145 ( 0.000 1.625 -2.385) 2.886 8.470 ( 0.000 -13.753 -0.425) 13.760 8.470 ( 0.000 13.753 -0.425) 13.760 8.753 ( 0.000 -1.526 7.893) 8.039 8.753 ( 0.000 1.526 7.893) 8.039 9.480 ( 0.000 -1.160 1.493) 1.890 9.480 ( 0.000 1.160 1.493) 1.890 9.880 ( 0.000 -7.831 -2.843) 8.331 9.880 ( 0.000 7.831 -2.843) 8.331 10.575 ( 0.000 -0.127 4.030) 4.032 10.575 ( 0.000 0.127 4.030) 4.032 10.756 ( 0.000 -2.849 -1.728) 3.333 10.756 ( 0.000 2.849 -1.728) 3.333 11.206 ( 0.000 -11.592 0.449) 11.601 11.206 ( 0.000 11.592 0.449) 11.601 11.277 ( 0.000 -9.997 -1.120) 10.059 11.277 ( 0.000 9.997 -1.120) 10.059 12.041 ( 0.000 -11.519 3.957) 12.180 12.041 ( 0.000 11.519 3.957) 12.180 12.297 ( 0.000 -14.242 -4.612) 14.970 12.297 ( 0.000 14.242 -4.612) 14.970 16.690 ( 0.000 -1.766 -1.448) 2.284 16.690 ( 0.000 1.766 -1.448) 2.284 16.748 ( 0.000 -1.779 -2.293) 2.903 16.748 ( 0.000 1.779 -2.293) 2.903 16.995 ( 0.000 -1.508 2.348) 2.790 16.995 ( 0.000 1.508 2.348) 2.790 17.165 ( 0.000 -2.294 7.574) 7.914 17.165 ( 0.000 2.294 7.574) 7.914 17.343 ( 0.000 -1.407 -0.235) 1.427 17.343 ( 0.000 1.407 -0.235) 1.427 17.393 ( 0.000 -0.033 -2.130) 2.130 17.393 ( 0.000 0.033 -2.130) 2.130 17.703 ( 0.000 -0.572 -4.166) 4.205 17.703 ( 0.000 0.572 -4.166) 4.205 17.998 ( 0.000 -1.558 -4.621) 4.876 17.998 ( 0.000 1.558 -4.621) 4.876 18.514 ( 0.000 -1.118 -5.250) 5.368 18.514 ( 0.000 1.118 -5.250) 5.368 18.841 ( 0.000 -4.989 3.202) 5.928 18.841 ( 0.000 4.989 3.202) 5.928 19.794 ( 0.000 -4.829 7.029) 8.528 19.794 ( 0.000 4.829 7.029) 8.528 20.086 ( 0.000 -9.276 -1.501) 9.396 20.086 ( 0.000 9.276 -1.501) 9.396 107.934 ( 0.000 -0.072 -0.132) 0.151 107.934 ( 0.000 0.072 -0.132) 0.151 107.939 ( 0.000 -0.038 -0.017) 0.042 107.939 ( 0.000 0.038 -0.017) 0.042 107.970 ( 0.000 -0.103 0.088) 0.136 107.970 ( 0.000 0.103 0.088) 0.136 107.994 ( 0.000 -0.290 -0.012) 0.290 107.994 ( 0.000 0.290 -0.012) 0.290 ======================= Grid point 92 (37/60) ======================= q-point: ( 0.12 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( 6.044 -15.456 7.211) 18.095 1.395 ( 6.044 15.456 7.211) 18.095 1.465 ( 8.240 -6.572 5.880) 12.069 1.465 ( 8.240 6.572 5.880) 12.069 1.827 ( 14.236 -4.626 4.081) 15.515 1.827 ( 14.236 4.626 4.081) 15.515 1.925 ( 2.792 -7.376 0.140) 7.888 1.925 ( 2.792 7.376 0.140) 7.888 2.341 ( -3.575 -10.735 -2.210) 11.528 2.341 ( -3.575 10.735 -2.210) 11.528 2.567 ( -0.723 -1.756 -5.532) 5.849 2.567 ( -0.723 1.756 -5.532) 5.849 2.680 ( 2.979 -10.373 1.971) 10.970 2.680 ( 2.979 10.373 1.971) 10.970 2.875 ( 0.172 -3.060 -0.942) 3.207 2.875 ( 0.172 3.060 -0.942) 3.207 2.955 ( -3.190 -2.339 -6.811) 7.876 2.955 ( -3.190 2.339 -6.811) 7.876 3.153 ( 0.901 -3.859 5.424) 6.718 3.153 ( 0.901 3.859 5.424) 6.718 3.212 ( -1.752 -6.125 1.775) 6.613 3.212 ( -1.752 6.125 1.775) 6.613 3.415 ( 1.914 -5.668 -6.756) 9.024 3.415 ( 1.914 5.668 -6.756) 9.024 3.513 ( 4.494 -4.798 -1.479) 6.738 3.513 ( 4.494 4.798 -1.479) 6.738 3.690 ( 2.458 -1.894 -5.761) 6.544 3.690 ( 2.458 1.894 -5.761) 6.544 3.819 ( 1.457 -0.987 -0.481) 1.824 3.819 ( 1.457 0.987 -0.481) 1.824 3.895 ( -0.339 -2.247 1.533) 2.741 3.895 ( -0.339 2.247 1.533) 2.741 4.028 ( -0.425 -1.655 4.047) 4.393 4.028 ( -0.425 1.655 4.047) 4.393 4.168 ( -0.337 -0.879 4.155) 4.261 4.168 ( -0.337 0.879 4.155) 4.261 4.275 ( -0.523 -0.926 1.747) 2.045 4.275 ( -0.523 0.926 1.747) 2.045 4.463 ( -2.816 -5.527 -7.771) 9.943 4.463 ( -2.816 5.527 -7.771) 9.943 4.819 ( -7.768 -5.090 1.192) 9.363 4.819 ( -7.768 5.090 1.192) 9.363 4.922 ( -8.278 -5.096 -0.295) 9.725 4.922 ( -8.278 5.096 -0.295) 9.725 5.124 ( -4.252 -1.941 1.390) 4.876 5.124 ( -4.252 1.941 1.390) 4.876 5.204 ( -3.638 -3.343 -1.847) 5.275 5.204 ( -3.638 3.343 -1.847) 5.275 5.454 ( -1.642 -1.066 0.403) 1.999 5.454 ( -1.642 1.066 0.403) 1.999 5.637 ( -4.740 -1.784 -0.572) 5.096 5.637 ( -4.740 1.784 -0.572) 5.096 5.753 ( -0.654 -0.698 -2.014) 2.230 5.753 ( -0.654 0.698 -2.014) 2.230 5.941 ( -0.475 -4.097 3.912) 5.685 5.941 ( -0.475 4.097 3.912) 5.685 6.053 ( -0.912 -2.802 0.734) 3.037 6.053 ( -0.912 2.802 0.734) 3.037 6.110 ( -3.290 -5.554 0.513) 6.476 6.110 ( -3.290 5.554 0.513) 6.476 6.201 ( 1.289 -1.495 -0.656) 2.080 6.201 ( 1.289 1.495 -0.656) 2.080 6.429 ( 0.357 -2.993 -1.522) 3.377 6.429 ( 0.357 2.993 -1.522) 3.377 6.495 ( 2.536 -4.470 2.414) 5.678 6.495 ( 2.536 4.470 2.414) 5.678 6.636 ( 1.196 -1.107 -3.085) 3.489 6.636 ( 1.196 1.107 -3.085) 3.489 6.698 ( 5.377 -4.870 -3.975) 8.272 6.698 ( 5.377 4.870 -3.975) 8.272 6.798 ( 4.087 -2.684 0.631) 4.930 6.798 ( 4.087 2.684 0.631) 4.930 7.035 ( 2.444 -3.151 -3.859) 5.549 7.035 ( 2.444 3.151 -3.859) 5.549 7.249 ( -0.498 -3.101 8.024) 8.616 7.249 ( -0.498 3.101 8.024) 8.616 7.361 ( -7.280 -1.546 2.412) 7.823 7.361 ( -7.280 1.546 2.412) 7.823 7.503 ( 1.043 -3.411 3.071) 4.707 7.503 ( 1.043 3.411 3.071) 4.707 7.676 ( 4.747 -8.027 1.214) 9.405 7.676 ( 4.747 8.027 1.214) 9.405 7.838 ( -1.241 -6.864 -1.235) 7.083 7.838 ( -1.241 6.864 -1.235) 7.083 7.876 ( -0.727 -7.606 -0.726) 7.675 7.876 ( -0.727 7.606 -0.726) 7.675 7.929 ( 1.646 -8.660 0.885) 8.860 7.929 ( 1.646 8.660 0.885) 8.860 8.113 ( 2.702 -4.219 -2.289) 5.508 8.113 ( 2.702 4.219 -2.289) 5.508 8.258 ( 6.010 -2.233 -5.539) 8.473 8.258 ( 6.010 2.233 -5.539) 8.473 8.466 ( -0.029 -8.506 -0.922) 8.556 8.466 ( -0.029 8.506 -0.922) 8.556 8.739 ( -1.029 -3.101 6.647) 7.407 8.739 ( -1.029 3.101 6.647) 7.407 9.551 ( 6.759 -1.030 0.379) 6.848 9.551 ( 6.759 1.030 0.379) 6.848 9.888 ( 1.266 -5.623 -1.268) 5.901 9.888 ( 1.266 5.623 -1.268) 5.901 10.563 ( -1.217 -1.245 3.872) 4.245 10.563 ( -1.217 1.245 3.872) 4.245 10.750 ( -0.785 -3.753 -2.123) 4.383 10.750 ( -0.785 3.753 -2.123) 4.383 11.209 ( 0.263 -10.462 0.307) 10.470 11.209 ( 0.263 10.462 0.307) 10.470 11.272 ( -0.520 -9.458 -0.604) 9.492 11.272 ( -0.520 9.458 -0.604) 9.492 12.022 ( -1.647 -11.165 3.482) 11.810 12.022 ( -1.647 11.165 3.482) 11.810 12.257 ( -3.624 -13.106 -4.167) 14.222 12.257 ( -3.624 13.106 -4.167) 14.222 16.641 ( -3.477 -1.351 0.529) 3.767 16.641 ( -3.477 1.351 0.529) 3.767 16.710 ( -5.042 -2.704 0.921) 5.795 16.710 ( -5.042 2.704 0.921) 5.795 16.953 ( -1.605 -1.356 -1.965) 2.877 16.953 ( -1.605 1.356 -1.965) 2.877 17.152 ( -3.306 -3.484 -0.718) 4.856 17.152 ( -3.306 3.484 -0.718) 4.856 17.340 ( -2.786 -1.402 0.239) 3.128 17.340 ( -2.786 1.402 0.239) 3.128 17.405 ( 4.228 -1.319 2.300) 4.991 17.405 ( 4.228 1.319 2.300) 4.991 17.715 ( 0.583 -0.804 -2.715) 2.891 17.715 ( 0.583 0.804 -2.715) 2.891 17.914 ( -5.653 -0.845 -2.072) 6.080 17.914 ( -5.653 0.845 -2.072) 6.080 18.597 ( 6.408 -3.217 -3.958) 8.190 18.597 ( 6.408 3.217 -3.958) 8.190 18.833 ( -0.414 -4.804 2.974) 5.665 18.833 ( -0.414 4.804 2.974) 5.665 19.795 ( 0.279 -4.454 6.735) 8.079 19.795 ( 0.279 4.454 6.735) 8.079 20.104 ( 0.861 -10.747 -3.295) 11.274 20.104 ( 0.861 10.747 -3.295) 11.274 107.933 ( -0.060 -0.213 -0.088) 0.238 107.933 ( -0.060 0.213 -0.088) 0.238 107.938 ( -0.090 -0.165 -0.009) 0.188 107.938 ( -0.090 0.165 -0.009) 0.188 107.974 ( 0.395 -0.224 0.055) 0.457 107.974 ( 0.395 0.224 0.055) 0.457 107.997 ( 0.241 -0.278 -0.013) 0.368 107.997 ( 0.241 0.278 -0.013) 0.368 ======================= Grid point 94 (38/60) ======================= q-point: ( 0.25 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( 7.687 -7.148 3.678) 11.123 1.545 ( 7.687 7.148 3.678) 11.123 1.650 ( 8.415 -3.447 1.657) 9.244 1.650 ( 8.415 3.447 1.657) 9.244 1.996 ( 4.272 -11.926 -5.581) 13.843 1.996 ( 4.272 11.926 -5.581) 13.843 2.123 ( 5.758 -10.401 6.606) 13.601 2.123 ( 5.758 10.401 6.606) 13.601 2.256 ( 0.990 -12.345 2.117) 12.564 2.256 ( 0.990 12.345 2.117) 12.564 2.602 ( 3.145 -6.327 -5.713) 9.086 2.602 ( 3.145 6.327 -5.713) 9.086 2.736 ( -1.432 -8.643 -3.022) 9.267 2.736 ( -1.432 8.643 -3.022) 9.267 2.797 ( -1.344 -7.015 -1.927) 7.397 2.797 ( -1.344 7.015 -1.927) 7.397 2.965 ( 3.898 -5.529 2.024) 7.061 2.965 ( 3.898 5.529 2.024) 7.061 3.193 ( 1.676 -2.483 4.533) 5.433 3.193 ( 1.676 2.483 4.533) 5.433 3.222 ( 3.182 -2.447 -0.233) 4.021 3.222 ( 3.182 2.447 -0.233) 4.021 3.468 ( 3.390 -7.439 0.296) 8.180 3.468 ( 3.390 7.439 0.296) 8.180 3.605 ( 3.325 -1.395 -4.198) 5.534 3.605 ( 3.325 1.395 -4.198) 5.534 3.746 ( 1.574 -1.871 -3.993) 4.682 3.746 ( 1.574 1.871 -3.993) 4.682 3.826 ( 1.219 -3.622 0.948) 3.937 3.826 ( 1.219 3.622 0.948) 3.937 3.930 ( 2.709 -1.706 0.611) 3.259 3.930 ( 2.709 1.706 0.611) 3.259 4.019 ( 0.028 -2.637 0.861) 2.774 4.019 ( 0.028 2.637 0.861) 2.774 4.161 ( -0.133 -0.544 2.284) 2.352 4.161 ( -0.133 0.544 2.284) 2.352 4.270 ( 0.337 -0.822 3.713) 3.818 4.270 ( 0.337 0.822 3.713) 3.818 4.400 ( -2.747 -2.838 -5.145) 6.486 4.400 ( -2.747 2.838 -5.145) 6.486 4.624 ( -10.843 -1.379 -2.886) 11.305 4.624 ( -10.843 1.379 -2.886) 11.305 4.766 ( -4.590 -2.253 0.244) 5.119 4.766 ( -4.590 2.253 0.244) 5.119 4.974 ( -9.179 -0.756 2.395) 9.516 4.974 ( -9.179 0.756 2.395) 9.516 5.119 ( -4.666 -4.013 -0.210) 6.157 5.119 ( -4.666 4.013 -0.210) 6.157 5.415 ( -2.272 -0.393 0.288) 2.324 5.415 ( -2.272 0.393 0.288) 2.324 5.530 ( -4.796 -2.218 0.926) 5.365 5.530 ( -4.796 2.218 0.926) 5.365 5.765 ( 1.643 -2.019 -1.287) 2.904 5.765 ( 1.643 2.019 -1.287) 2.904 5.877 ( -5.300 -1.740 1.802) 5.862 5.877 ( -5.300 1.740 1.802) 5.862 6.005 ( -5.757 -7.403 3.299) 9.941 6.005 ( -5.757 7.403 3.299) 9.941 6.051 ( -0.329 -3.546 0.566) 3.605 6.051 ( -0.329 3.546 0.566) 3.605 6.146 ( -3.728 -0.979 -1.440) 4.115 6.146 ( -3.728 0.979 -1.440) 4.115 6.448 ( -0.574 -2.829 -5.075) 5.839 6.448 ( -0.574 2.829 -5.075) 5.839 6.534 ( 0.921 -4.810 1.748) 5.200 6.534 ( 0.921 4.810 1.748) 5.200 6.664 ( 1.036 -4.439 -5.108) 6.847 6.664 ( 1.036 4.439 -5.108) 6.847 6.806 ( 5.222 -5.520 0.590) 7.621 6.806 ( 5.222 5.520 0.590) 7.621 6.960 ( 7.055 -3.890 -5.641) 9.835 6.960 ( 7.055 3.890 -5.641) 9.835 7.077 ( -0.154 -0.949 0.754) 1.222 7.077 ( -0.154 0.949 0.754) 1.222 7.135 ( -2.855 -6.032 0.018) 6.674 7.135 ( -2.855 6.032 0.018) 6.674 7.322 ( 1.192 -2.252 6.980) 7.430 7.322 ( 1.192 2.252 6.980) 7.430 7.563 ( 3.708 -6.768 6.791) 10.280 7.563 ( 3.708 6.768 6.791) 10.280 7.752 ( 1.764 -9.584 1.869) 9.922 7.752 ( 1.764 9.584 1.869) 9.922 7.840 ( 2.461 -5.253 -0.455) 5.818 7.840 ( 2.461 5.253 -0.455) 5.818 7.902 ( 2.522 -2.119 -3.428) 4.754 7.902 ( 2.522 2.119 -3.428) 4.754 7.983 ( 2.571 -8.619 3.073) 9.505 7.983 ( 2.571 8.619 3.073) 9.505 8.155 ( 1.632 -4.312 -2.411) 5.203 8.155 ( 1.632 4.312 -2.411) 5.203 8.304 ( -0.487 -8.253 -1.357) 8.378 8.304 ( -0.487 8.253 -1.357) 8.378 8.465 ( -0.755 -5.828 0.710) 5.920 8.465 ( -0.755 5.828 0.710) 5.920 8.720 ( -1.198 -8.909 -2.648) 9.372 8.720 ( -1.198 8.909 -2.648) 9.372 9.750 ( 11.775 -1.279 0.073) 11.844 9.750 ( 11.775 1.279 0.073) 11.844 9.958 ( 5.885 -2.245 0.968) 6.372 9.958 ( 5.885 2.245 0.968) 6.372 10.515 ( -3.607 -2.808 3.450) 5.727 10.515 ( -3.607 2.808 3.450) 5.727 10.708 ( -3.549 -5.177 -2.875) 6.903 10.708 ( -3.549 5.177 -2.875) 6.903 11.214 ( 0.149 -7.229 0.036) 7.230 11.214 ( 0.149 7.229 0.036) 7.230 11.256 ( -0.926 -7.622 0.310) 7.685 11.256 ( -0.926 7.622 0.310) 7.685 11.985 ( -1.607 -10.347 2.349) 10.731 11.985 ( -1.607 10.347 2.349) 10.731 12.162 ( -5.048 -11.001 -3.057) 12.484 12.162 ( -5.048 11.001 -3.057) 12.484 16.560 ( -5.384 -0.393 2.185) 5.824 16.560 ( -5.384 0.393 2.185) 5.824 16.579 ( -4.771 -0.736 2.463) 5.419 16.579 ( -4.771 0.736 2.463) 5.419 16.919 ( -2.877 -3.237 -3.692) 5.691 16.919 ( -2.877 3.237 -3.692) 5.691 17.031 ( -6.565 -2.035 -6.448) 9.424 17.031 ( -6.565 2.035 -6.448) 9.424 17.313 ( 0.530 -1.912 1.651) 2.582 17.313 ( 0.530 1.912 1.651) 2.582 17.477 ( 1.462 -2.619 0.490) 3.039 17.477 ( 1.462 2.619 0.490) 3.039 17.715 ( 0.020 -0.691 0.406) 0.802 17.715 ( 0.020 0.691 0.406) 0.802 17.839 ( -1.341 -1.133 2.232) 2.840 17.839 ( -1.341 1.133 2.232) 2.840 18.731 ( 5.772 -2.810 -2.182) 6.780 18.731 ( 5.772 2.810 -2.182) 6.780 18.837 ( 0.847 -3.201 2.224) 3.989 18.837 ( 0.847 3.201 2.224) 3.989 19.809 ( 1.111 -3.759 5.112) 6.442 19.809 ( 1.111 3.759 5.112) 6.442 20.089 ( -2.484 -10.337 -4.735) 11.638 20.089 ( -2.484 10.337 -4.735) 11.638 107.932 ( -0.062 -0.451 -0.019) 0.455 107.932 ( -0.062 0.451 -0.019) 0.455 107.935 ( -0.125 -0.387 -0.010) 0.407 107.935 ( -0.125 0.387 -0.010) 0.407 107.985 ( 0.609 -0.286 0.012) 0.673 107.985 ( 0.609 0.286 0.012) 0.673 108.003 ( 0.292 -0.267 -0.010) 0.396 108.003 ( 0.292 0.267 -0.010) 0.396 ======================= Grid point 96 (39/60) ======================= q-point: ( 0.38 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( 6.415 -5.109 0.628) 8.225 1.697 ( 6.415 5.109 0.628) 8.225 1.788 ( 4.426 -3.830 -1.226) 5.980 1.788 ( 4.426 3.830 -1.226) 5.980 1.992 ( -3.131 -4.017 -7.059) 8.705 1.992 ( -3.131 4.017 -7.059) 8.705 2.108 ( -2.794 -5.650 -0.851) 6.360 2.108 ( -2.794 5.650 -0.851) 6.360 2.401 ( 8.147 -10.787 5.661) 14.655 2.401 ( 8.147 10.787 5.661) 14.655 2.607 ( -2.759 -5.424 -0.711) 6.126 2.607 ( -2.759 5.424 -0.711) 6.126 2.711 ( 3.119 -3.922 0.443) 5.031 2.711 ( 3.119 3.922 0.443) 5.031 2.888 ( 3.655 -3.978 1.009) 5.495 2.888 ( 3.655 3.978 1.009) 5.495 3.009 ( 1.442 -8.502 -1.922) 8.835 3.009 ( 1.442 8.502 -1.922) 8.835 3.234 ( -2.465 -0.866 -2.611) 3.694 3.234 ( -2.465 0.866 -2.611) 3.694 3.313 ( 8.323 -6.833 0.366) 10.775 3.313 ( 8.323 6.833 0.366) 10.775 3.542 ( 2.481 -5.411 6.752) 9.001 3.542 ( 2.481 5.411 6.752) 9.001 3.635 ( 0.563 -2.950 -3.098) 4.315 3.635 ( 0.563 2.950 -3.098) 4.315 3.791 ( 4.084 -2.909 -0.490) 5.038 3.791 ( 4.084 2.909 -0.490) 5.038 3.886 ( -0.840 -2.813 1.490) 3.292 3.886 ( -0.840 2.813 1.490) 3.292 3.940 ( 1.234 -2.937 1.195) 3.403 3.940 ( 1.234 2.937 1.195) 3.403 4.037 ( 2.555 -2.025 -2.922) 4.378 4.037 ( 2.555 2.025 -2.922) 4.378 4.174 ( 0.511 -2.651 -0.448) 2.737 4.174 ( 0.511 2.651 -0.448) 2.737 4.264 ( -2.469 -2.963 2.437) 4.563 4.264 ( -2.469 2.963 2.437) 4.563 4.366 ( -3.389 -1.632 0.257) 3.770 4.366 ( -3.389 1.632 0.257) 3.770 4.443 ( -0.718 -2.193 -4.943) 5.455 4.443 ( -0.718 2.193 -4.943) 5.455 4.744 ( -0.578 -1.402 -1.379) 2.050 4.744 ( -0.578 1.402 -1.379) 2.050 4.784 ( -5.828 -2.214 2.443) 6.696 4.784 ( -5.828 2.214 2.443) 6.696 5.006 ( -5.875 -3.469 -0.278) 6.828 5.006 ( -5.875 3.469 -0.278) 6.828 5.359 ( -2.180 -3.154 2.772) 4.732 5.359 ( -2.180 3.154 2.772) 4.732 5.459 ( -2.866 -2.952 5.140) 6.584 5.459 ( -2.866 2.952 5.140) 6.584 5.719 ( -4.273 -3.745 1.664) 5.921 5.719 ( -4.273 3.745 1.664) 5.921 5.839 ( -2.843 -4.652 0.742) 5.502 5.839 ( -2.843 4.652 0.742) 5.502 5.898 ( 0.834 -2.929 -0.438) 3.077 5.898 ( 0.834 2.929 -0.438) 3.077 6.044 ( -0.830 -3.732 1.743) 4.202 6.044 ( -0.830 3.732 1.743) 4.202 6.103 ( -0.290 -2.989 -0.828) 3.116 6.103 ( -0.290 2.989 -0.828) 3.116 6.337 ( -9.692 -1.628 -3.914) 10.579 6.337 ( -9.692 1.628 -3.914) 10.579 6.551 ( 1.749 -3.606 -4.857) 6.297 6.551 ( 1.749 3.606 -4.857) 6.297 6.658 ( -1.649 -3.923 -7.099) 8.277 6.658 ( -1.649 3.923 -7.099) 8.277 6.921 ( 5.435 -2.828 2.629) 6.667 6.921 ( 5.435 2.828 2.629) 6.667 7.041 ( -0.584 -3.080 2.084) 3.765 7.041 ( -0.584 3.080 2.084) 3.765 7.055 ( 3.725 -4.270 -2.774) 6.309 7.055 ( 3.725 4.270 -2.774) 6.309 7.168 ( 0.266 -3.367 -2.223) 4.043 7.168 ( 0.266 3.367 -2.223) 4.043 7.384 ( 4.780 -4.107 3.092) 7.020 7.384 ( 4.780 4.107 3.092) 7.020 7.592 ( -2.085 -9.405 1.978) 9.834 7.592 ( -2.085 9.405 1.978) 9.834 7.776 ( 2.017 -10.128 4.309) 11.190 7.776 ( 2.017 10.128 4.309) 11.190 7.899 ( 0.748 -8.203 2.239) 8.536 7.899 ( 0.748 8.203 2.239) 8.536 7.962 ( 3.219 -2.883 -1.329) 4.521 7.962 ( 3.219 2.883 -1.329) 4.521 8.026 ( 1.699 -5.820 2.527) 6.569 8.026 ( 1.699 5.820 2.527) 6.569 8.202 ( 2.931 -3.227 -1.191) 4.519 8.202 ( 2.931 3.227 -1.191) 4.519 8.288 ( -0.639 -12.715 1.145) 12.783 8.288 ( -0.639 12.715 1.145) 12.783 8.452 ( 0.816 -6.266 1.002) 6.397 8.452 ( 0.816 6.266 1.002) 6.397 8.659 ( -4.941 -5.442 -6.711) 9.954 8.659 ( -4.941 5.442 -6.711) 9.954 10.010 ( 12.152 -2.104 1.669) 12.445 10.010 ( 12.152 2.104 1.669) 12.445 10.135 ( 10.812 -1.781 -0.382) 10.965 10.135 ( 10.812 1.781 -0.382) 10.965 10.408 ( -6.719 -3.483 2.969) 8.130 10.408 ( -6.719 3.483 2.969) 8.130 10.589 ( -7.983 -5.459 -3.140) 10.168 10.589 ( -7.983 5.459 -3.140) 10.168 11.216 ( 0.110 -4.111 0.003) 4.112 11.216 ( 0.110 4.111 0.003) 4.112 11.236 ( -0.892 -5.002 0.557) 5.111 11.236 ( -0.892 5.002 0.557) 5.111 11.967 ( 0.067 -9.522 1.051) 9.580 11.967 ( 0.067 9.522 1.051) 9.580 12.062 ( -4.280 -9.567 -1.651) 10.610 12.062 ( -4.280 9.567 -1.651) 10.610 16.457 ( -3.072 -0.763 0.821) 3.270 16.457 ( -3.072 0.763 0.821) 3.270 16.503 ( -3.524 -1.464 0.867) 3.914 16.503 ( -3.524 1.464 0.867) 3.914 16.845 ( -2.510 -1.174 -1.362) 3.087 16.845 ( -2.510 1.174 -1.362) 3.087 16.920 ( -4.385 -3.027 -1.633) 5.573 16.920 ( -4.385 3.027 -1.633) 5.573 17.350 ( 2.538 -0.475 -2.133) 3.349 17.350 ( 2.538 0.475 -2.133) 3.349 17.462 ( -2.205 -2.987 -2.873) 4.694 17.462 ( -2.205 2.987 -2.873) 4.694 17.741 ( 2.255 -1.167 3.775) 4.549 17.741 ( 2.255 1.167 3.775) 4.549 17.824 ( -0.834 -1.415 3.586) 3.944 17.824 ( -0.834 1.415 3.586) 3.944 18.826 ( 3.277 -2.119 -0.596) 3.947 18.826 ( 3.277 2.119 -0.596) 3.947 18.863 ( 1.260 -2.186 0.921) 2.686 18.863 ( 1.260 2.186 0.921) 2.686 19.845 ( 2.389 -3.084 2.304) 4.531 19.845 ( 2.389 3.084 2.304) 4.531 20.009 ( -4.740 -7.290 -3.582) 9.405 20.009 ( -4.740 7.290 -3.582) 9.405 107.931 ( -0.016 -0.623 0.009) 0.624 107.931 ( -0.016 0.623 0.009) 0.624 107.933 ( -0.097 -0.581 -0.010) 0.589 107.933 ( -0.097 0.581 -0.010) 0.589 107.997 ( 0.534 -0.284 -0.004) 0.605 107.997 ( 0.534 0.284 -0.004) 0.605 108.007 ( 0.098 -0.267 -0.006) 0.284 108.007 ( 0.098 0.267 -0.006) 0.284 ======================= Grid point 98 (40/60) ======================= q-point: (-0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( -2.736 -5.698 -0.658) 6.355 1.798 ( 2.083 -5.629 -0.658) 6.038 1.798 ( -2.083 5.629 -0.658) 6.038 1.798 ( 2.736 5.698 -0.658) 6.355 2.011 ( -4.715 -3.888 -5.856) 8.464 2.011 ( 3.224 -3.486 -5.856) 7.539 2.011 ( -3.224 3.486 -5.856) 7.539 2.011 ( 4.715 3.888 -5.856) 8.464 2.541 ( -3.188 -9.544 2.519) 10.373 2.541 ( 1.871 -9.456 2.519) 9.963 2.541 ( -1.871 9.456 2.519) 9.963 2.541 ( 3.188 9.544 2.519) 10.373 2.819 ( -6.651 -7.859 2.839) 10.680 2.819 ( 6.518 -7.832 2.839) 10.577 2.819 ( -6.518 7.832 2.839) 10.577 2.819 ( 6.651 7.859 2.839) 10.680 3.125 ( -6.253 -5.061 -3.158) 8.642 3.125 ( 1.104 -4.018 -3.158) 5.229 3.125 ( -1.104 4.018 -3.158) 5.229 3.125 ( 6.253 5.061 -3.158) 8.642 3.485 ( -6.051 -6.353 2.485) 9.119 3.485 ( 1.988 -5.674 2.485) 6.506 3.485 ( -1.988 5.674 2.485) 6.506 3.485 ( 6.051 6.353 2.485) 9.119 3.726 ( -6.872 -8.053 1.004) 10.634 3.726 ( 6.872 -8.053 1.004) 10.634 3.726 ( -6.872 8.053 1.004) 10.634 3.726 ( 6.872 8.053 1.004) 10.634 3.937 ( -3.703 -2.207 -1.427) 4.541 3.937 ( 0.681 -1.249 -1.427) 2.015 3.937 ( -0.681 1.249 -1.427) 2.015 3.937 ( 3.703 2.207 -1.427) 4.541 4.132 ( -3.067 -4.721 -0.050) 5.630 4.132 ( -1.090 -4.499 -0.050) 4.629 4.132 ( 1.090 4.499 -0.050) 4.629 4.132 ( 3.067 4.721 -0.050) 5.630 4.253 ( -3.815 -3.499 -1.341) 5.348 4.253 ( 3.773 -3.488 -1.341) 5.311 4.253 ( -3.773 3.488 -1.341) 5.311 4.253 ( 3.815 3.499 -1.341) 5.348 4.575 ( -8.741 -3.676 0.628) 9.504 4.575 ( -5.586 1.488 0.628) 5.814 4.575 ( 5.586 -1.488 0.628) 5.814 4.575 ( 8.741 3.676 0.628) 9.504 4.874 ( -6.264 -3.472 -0.858) 7.214 4.874 ( -1.598 -1.699 -0.858) 2.485 4.874 ( 1.598 1.699 -0.858) 2.485 4.874 ( 6.264 3.472 -0.858) 7.214 5.375 ( -3.845 -5.110 6.139) 8.865 5.375 ( 3.807 -5.103 6.139) 8.844 5.375 ( -3.807 5.103 6.139) 8.844 5.375 ( 3.845 5.110 6.139) 8.865 5.726 ( -4.434 -3.429 0.716) 5.651 5.726 ( 3.951 -3.278 0.716) 5.184 5.726 ( -3.951 3.278 0.716) 5.184 5.726 ( 4.434 3.429 0.716) 5.651 5.997 ( -3.570 -2.576 0.288) 4.412 5.997 ( -1.519 -2.007 0.288) 2.533 5.997 ( 1.519 2.007 0.288) 2.533 5.997 ( 3.570 2.576 0.288) 4.412 6.149 ( -4.237 -3.412 -1.185) 5.568 6.149 ( -2.554 -2.965 -1.185) 4.089 6.149 ( 2.554 2.965 -1.185) 4.089 6.149 ( 4.237 3.412 -1.185) 5.568 6.605 ( -2.876 -2.049 -7.807) 8.569 6.605 ( 0.884 -1.525 -7.807) 8.004 6.605 ( -0.884 1.525 -7.807) 8.004 6.605 ( 2.876 2.049 -7.807) 8.569 7.011 ( -1.601 -5.480 2.753) 6.338 7.011 ( 0.424 -5.425 2.753) 6.098 7.011 ( -0.424 5.425 2.753) 6.098 7.011 ( 1.601 5.480 2.753) 6.338 7.133 ( -3.100 -3.171 -1.916) 4.831 7.133 ( 2.680 -3.074 -1.916) 4.506 7.133 ( -2.680 3.074 -1.916) 4.506 7.133 ( 3.100 3.171 -1.916) 4.831 7.497 ( -5.598 -7.986 -0.181) 9.754 7.497 ( 5.216 -7.921 -0.181) 9.486 7.497 ( -5.216 7.921 -0.181) 9.486 7.497 ( 5.598 7.986 -0.181) 9.754 7.849 ( -3.794 -9.034 4.224) 10.671 7.849 ( 3.455 -9.000 4.224) 10.525 7.849 ( -3.455 9.000 4.224) 10.525 7.849 ( 3.794 9.034 4.224) 10.671 8.027 ( -1.534 -5.850 1.395) 6.206 8.027 ( 1.212 -5.831 1.395) 6.117 8.027 ( -1.212 5.831 1.395) 6.117 8.027 ( 1.534 5.850 1.395) 6.206 8.261 ( -1.743 -13.693 0.733) 13.822 8.261 ( 1.558 -13.687 0.733) 13.795 8.261 ( -1.558 13.687 0.733) 13.795 8.261 ( 1.743 13.693 0.733) 13.822 8.532 ( -4.905 -5.251 -3.357) 7.931 8.532 ( -0.157 -4.644 -3.357) 5.732 8.532 ( 0.157 4.644 -3.357) 5.732 8.532 ( 4.905 5.251 -3.357) 7.931 10.237 ( -9.564 -3.307 2.660) 10.464 10.237 ( -9.504 3.264 2.660) 10.395 10.237 ( 9.504 -3.264 2.660) 10.395 10.237 ( 9.564 3.307 2.660) 10.464 10.380 ( -11.635 -4.095 -2.463) 12.578 10.380 ( -11.522 4.015 -2.463) 12.448 10.380 ( 11.523 -4.015 -2.463) 12.448 10.380 ( 11.635 4.095 -2.463) 12.578 11.222 ( -0.179 -10.280 0.253) 10.284 11.222 ( 0.159 -10.280 0.253) 10.284 11.222 ( -0.159 10.280 0.253) 10.284 11.222 ( 0.179 10.280 0.253) 10.284 11.992 ( -2.193 -9.788 -0.255) 10.034 11.992 ( 2.122 -9.784 -0.255) 10.015 11.992 ( -2.122 9.784 -0.255) 10.015 11.992 ( 2.193 9.788 -0.255) 10.034 16.443 ( -1.539 -0.699 -0.386) 1.734 16.443 ( -0.646 -0.025 -0.386) 0.753 16.443 ( 0.646 0.025 -0.386) 0.753 16.443 ( 1.539 0.699 -0.386) 1.734 16.846 ( -2.314 -1.596 0.778) 2.916 16.846 ( 2.245 -1.571 0.778) 2.848 16.846 ( -2.245 1.571 0.778) 2.848 16.846 ( 2.314 1.596 0.778) 2.916 17.407 ( -2.773 -1.468 -3.691) 4.844 17.407 ( -0.183 -0.489 -3.691) 3.728 17.407 ( 0.183 0.489 -3.691) 3.728 17.407 ( 2.773 1.468 -3.691) 4.844 17.792 ( -1.727 -2.718 4.094) 5.209 17.792 ( 0.544 -2.591 4.094) 4.875 17.792 ( -0.544 2.591 4.094) 4.875 17.792 ( 1.727 2.718 4.094) 5.209 18.870 ( -0.471 -8.848 0.168) 8.862 18.870 ( 0.406 -8.847 0.168) 8.858 18.870 ( -0.406 8.847 0.168) 8.858 18.870 ( 0.471 8.848 0.168) 8.862 19.913 ( -4.092 -4.179 -0.867) 5.913 19.913 ( 3.927 -4.139 -0.867) 5.771 19.913 ( -3.927 4.139 -0.867) 5.771 19.913 ( 4.092 4.179 -0.867) 5.913 107.931 ( -0.038 -0.779 0.002) 0.780 107.931 ( 0.037 -0.779 0.002) 0.780 107.931 ( -0.037 0.779 0.002) 0.780 107.931 ( 0.038 0.779 0.002) 0.780 108.006 ( -0.204 -0.361 -0.005) 0.414 108.006 ( 0.128 -0.352 -0.005) 0.374 108.006 ( -0.128 0.352 -0.005) 0.374 108.006 ( 0.204 0.361 -0.005) 0.414 ======================= Grid point 126 (41/60) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( 0.000 0.000 -16.753) 16.753 0.785 ( 0.000 0.000 16.753) 16.753 1.191 ( 0.000 0.000 -23.742) 23.742 1.191 ( 0.000 0.000 23.742) 23.742 1.814 ( 0.000 0.000 -28.330) 28.330 1.814 ( 0.000 0.000 28.330) 28.330 1.935 ( 0.000 0.000 -0.352) 0.352 1.935 ( 0.000 0.000 0.352) 0.352 2.179 ( 0.000 0.000 -0.859) 0.859 2.179 ( 0.000 0.000 0.859) 0.859 2.532 ( 0.000 0.000 -4.412) 4.412 2.532 ( 0.000 0.000 4.412) 4.412 2.631 ( 0.000 0.000 -4.358) 4.358 2.631 ( 0.000 0.000 4.358) 4.358 2.757 ( 0.000 0.000 -3.603) 3.603 2.757 ( 0.000 0.000 3.603) 3.603 3.035 ( 0.000 0.000 -2.429) 2.429 3.035 ( 0.000 0.000 2.429) 2.429 3.111 ( 0.000 0.000 -2.052) 2.052 3.111 ( 0.000 0.000 2.052) 2.052 3.149 ( 0.000 0.000 -9.980) 9.980 3.149 ( 0.000 0.000 9.980) 9.980 3.235 ( 0.000 0.000 -5.692) 5.692 3.235 ( 0.000 0.000 5.692) 5.692 3.409 ( 0.000 0.000 -6.107) 6.107 3.409 ( 0.000 0.000 6.107) 6.107 3.549 ( 0.000 0.000 -4.346) 4.346 3.549 ( 0.000 0.000 4.346) 4.346 3.748 ( 0.000 0.000 -0.015) 0.015 3.748 ( 0.000 0.000 0.015) 0.015 3.937 ( 0.000 0.000 -0.762) 0.762 3.937 ( 0.000 0.000 0.762) 0.762 4.069 ( 0.000 0.000 -0.086) 0.086 4.069 ( 0.000 0.000 0.086) 0.086 4.072 ( 0.000 0.000 -0.422) 0.422 4.072 ( 0.000 0.000 0.422) 0.422 4.255 ( 0.000 0.000 -12.028) 12.028 4.255 ( 0.000 0.000 12.028) 12.028 4.552 ( 0.000 0.000 -0.694) 0.694 4.552 ( 0.000 0.000 0.694) 0.694 4.774 ( 0.000 0.000 -4.006) 4.006 4.774 ( 0.000 0.000 4.006) 4.006 4.855 ( 0.000 0.000 -10.281) 10.281 4.855 ( 0.000 0.000 10.281) 10.281 5.200 ( 0.000 0.000 -6.708) 6.708 5.200 ( 0.000 0.000 6.708) 6.708 5.265 ( 0.000 0.000 -4.952) 4.952 5.265 ( 0.000 0.000 4.952) 4.952 5.381 ( 0.000 0.000 -1.652) 1.652 5.381 ( 0.000 0.000 1.652) 1.652 5.696 ( 0.000 0.000 -1.734) 1.734 5.696 ( 0.000 0.000 1.734) 1.734 5.809 ( 0.000 0.000 -2.723) 2.723 5.809 ( 0.000 0.000 2.723) 2.723 5.970 ( 0.000 0.000 -1.045) 1.045 5.970 ( 0.000 0.000 1.045) 1.045 5.975 ( 0.000 0.000 -7.067) 7.067 5.975 ( 0.000 0.000 7.067) 7.067 6.031 ( 0.000 0.000 -5.785) 5.785 6.031 ( 0.000 0.000 5.785) 5.785 6.121 ( 0.000 0.000 -6.407) 6.407 6.121 ( 0.000 0.000 6.407) 6.407 6.413 ( 0.000 0.000 -1.338) 1.338 6.413 ( 0.000 0.000 1.338) 1.338 6.551 ( 0.000 0.000 -3.925) 3.925 6.551 ( 0.000 0.000 3.925) 3.925 6.631 ( 0.000 0.000 -0.873) 0.873 6.631 ( 0.000 0.000 0.873) 0.873 6.673 ( 0.000 0.000 -0.435) 0.435 6.673 ( 0.000 0.000 0.435) 0.435 6.843 ( 0.000 0.000 -2.708) 2.708 6.843 ( 0.000 0.000 2.708) 2.708 6.941 ( 0.000 0.000 -7.077) 7.077 6.941 ( 0.000 0.000 7.077) 7.077 6.963 ( 0.000 0.000 -1.381) 1.381 6.963 ( 0.000 0.000 1.381) 1.381 7.242 ( 0.000 0.000 -8.037) 8.037 7.242 ( 0.000 0.000 8.037) 8.037 7.450 ( 0.000 0.000 -5.722) 5.722 7.450 ( 0.000 0.000 5.722) 5.722 7.609 ( 0.000 0.000 -3.975) 3.975 7.609 ( 0.000 0.000 3.975) 3.975 7.717 ( 0.000 0.000 -0.577) 0.577 7.717 ( 0.000 0.000 0.577) 0.577 7.831 ( 0.000 0.000 -2.767) 2.767 7.831 ( 0.000 0.000 2.767) 2.767 7.861 ( 0.000 0.000 -3.863) 3.863 7.861 ( 0.000 0.000 3.863) 3.863 7.948 ( 0.000 0.000 -1.789) 1.789 7.948 ( 0.000 0.000 1.789) 1.789 8.863 ( 0.000 0.000 -6.588) 6.588 8.863 ( 0.000 0.000 6.588) 6.588 9.195 ( 0.000 0.000 -2.941) 2.941 9.195 ( 0.000 0.000 2.941) 2.941 9.317 ( 0.000 0.000 -8.287) 8.287 9.317 ( 0.000 0.000 8.287) 8.287 9.854 ( 0.000 0.000 -6.224) 6.224 9.854 ( 0.000 0.000 6.224) 6.224 10.080 ( 0.000 0.000 -4.561) 4.561 10.080 ( 0.000 0.000 4.561) 4.561 10.371 ( 0.000 0.000 -13.065) 13.065 10.371 ( 0.000 0.000 13.065) 13.065 10.713 ( 0.000 0.000 -5.608) 5.608 10.713 ( 0.000 0.000 5.608) 5.608 11.022 ( 0.000 0.000 -5.389) 5.389 11.022 ( 0.000 0.000 5.389) 5.389 11.099 ( 0.000 0.000 -4.109) 4.109 11.099 ( 0.000 0.000 4.109) 4.109 11.823 ( 0.000 0.000 -1.542) 1.542 11.823 ( 0.000 0.000 1.542) 1.542 12.234 ( 0.000 0.000 -0.380) 0.380 12.234 ( 0.000 0.000 0.380) 0.380 16.624 ( 0.000 0.000 -0.295) 0.295 16.624 ( 0.000 0.000 0.295) 0.295 16.792 ( 0.000 0.000 -0.756) 0.756 16.792 ( 0.000 0.000 0.756) 0.756 16.893 ( 0.000 0.000 -4.274) 4.274 16.893 ( 0.000 0.000 4.274) 4.274 17.283 ( 0.000 0.000 -4.479) 4.479 17.283 ( 0.000 0.000 4.479) 4.479 17.289 ( 0.000 0.000 -1.639) 1.639 17.289 ( 0.000 0.000 1.639) 1.639 17.373 ( 0.000 0.000 -6.582) 6.582 17.373 ( 0.000 0.000 6.582) 6.582 17.542 ( 0.000 0.000 -3.663) 3.663 17.542 ( 0.000 0.000 3.663) 3.663 17.740 ( 0.000 0.000 -6.965) 6.965 17.740 ( 0.000 0.000 6.965) 6.965 18.266 ( 0.000 0.000 -0.329) 0.329 18.266 ( 0.000 0.000 0.329) 0.329 19.022 ( 0.000 0.000 -6.679) 6.679 19.022 ( 0.000 0.000 6.679) 6.679 19.715 ( 0.000 0.000 -2.187) 2.187 19.715 ( 0.000 0.000 2.187) 2.187 20.548 ( 0.000 0.000 -0.964) 0.964 20.548 ( 0.000 0.000 0.964) 0.964 107.921 ( 0.000 0.000 -0.281) 0.281 107.921 ( 0.000 0.000 0.281) 0.281 107.933 ( 0.000 0.000 -0.052) 0.052 107.933 ( 0.000 0.000 0.052) 0.052 107.961 ( 0.000 0.000 -0.138) 0.138 107.961 ( 0.000 0.000 0.138) 0.138 108.013 ( 0.000 0.000 -0.624) 0.624 108.013 ( 0.000 0.000 0.624) 0.624 ======================= Grid point 128 (42/60) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( 8.308 0.000 -13.025) 15.449 0.878 ( 8.308 0.000 13.025) 15.449 1.186 ( 1.686 0.000 -24.911) 24.968 1.186 ( 1.686 0.000 24.911) 24.968 1.857 ( -6.106 0.000 -3.007) 6.806 1.857 ( -6.106 0.000 3.007) 6.806 2.002 ( 15.513 0.000 -18.574) 24.200 2.002 ( 15.513 0.000 18.574) 24.200 2.317 ( 11.200 0.000 -2.558) 11.489 2.317 ( 11.200 0.000 2.558) 11.489 2.586 ( 1.467 0.000 -1.992) 2.474 2.586 ( 1.467 0.000 1.992) 2.474 2.673 ( 2.866 0.000 -10.680) 11.058 2.673 ( 2.866 0.000 10.680) 11.058 2.686 ( -4.029 0.000 -2.792) 4.902 2.686 ( -4.029 0.000 2.792) 4.902 2.965 ( -5.239 0.000 -7.438) 9.098 2.965 ( -5.239 0.000 7.438) 9.098 3.132 ( -1.059 0.000 -3.302) 3.468 3.132 ( -1.059 0.000 3.302) 3.468 3.169 ( 1.960 0.000 -5.621) 5.953 3.169 ( 1.960 0.000 5.621) 5.953 3.227 ( 3.774 0.000 -5.424) 6.608 3.227 ( 3.774 0.000 5.424) 6.608 3.431 ( 0.677 0.000 -3.260) 3.330 3.431 ( 0.677 0.000 3.260) 3.330 3.612 ( 5.830 0.000 -2.547) 6.362 3.612 ( 5.830 0.000 2.547) 6.362 3.727 ( -1.078 0.000 -0.983) 1.459 3.727 ( -1.078 0.000 0.983) 1.459 3.885 ( -3.215 0.000 -2.439) 4.035 3.885 ( -3.215 0.000 2.439) 4.035 4.113 ( 3.021 0.000 -2.271) 3.779 4.113 ( 3.021 0.000 2.271) 3.779 4.123 ( 3.603 0.000 -2.468) 4.368 4.123 ( 3.603 0.000 2.468) 4.368 4.284 ( 2.398 0.000 -10.014) 10.297 4.284 ( 2.398 0.000 10.014) 10.297 4.491 ( -5.317 0.000 -1.434) 5.507 4.491 ( -5.317 0.000 1.434) 5.507 4.703 ( -5.743 0.000 -4.123) 7.070 4.703 ( -5.743 0.000 4.123) 7.070 4.820 ( -3.223 0.000 -8.670) 9.250 4.820 ( -3.223 0.000 8.670) 9.250 5.125 ( -4.600 0.000 -4.434) 6.390 5.125 ( -4.600 0.000 4.434) 6.390 5.199 ( -5.928 0.000 -3.102) 6.690 5.199 ( -5.928 0.000 3.102) 6.690 5.370 ( -1.024 0.000 -1.386) 1.723 5.370 ( -1.024 0.000 1.386) 1.723 5.651 ( -3.660 0.000 -1.767) 4.065 5.651 ( -3.660 0.000 1.767) 4.065 5.793 ( -1.092 0.000 -1.492) 1.849 5.793 ( -1.092 0.000 1.492) 1.849 5.977 ( 0.131 0.000 -1.721) 1.726 5.977 ( 0.131 0.000 1.721) 1.726 5.986 ( 0.243 0.000 -7.560) 7.564 5.986 ( 0.243 0.000 7.560) 7.564 6.028 ( 0.473 0.000 -6.209) 6.227 6.028 ( 0.473 0.000 6.209) 6.227 6.093 ( -3.810 0.000 -3.344) 5.069 6.093 ( -3.810 0.000 3.344) 5.069 6.464 ( -0.601 0.000 -3.702) 3.750 6.464 ( -0.601 0.000 3.702) 3.750 6.524 ( -3.803 0.000 -2.657) 4.640 6.524 ( -3.803 0.000 2.657) 4.640 6.626 ( 5.630 0.000 -5.243) 7.693 6.626 ( 5.630 0.000 5.243) 7.693 6.692 ( 0.958 0.000 -3.266) 3.403 6.692 ( 0.958 0.000 3.266) 3.403 6.862 ( 0.514 0.000 -2.542) 2.593 6.862 ( 0.514 0.000 2.542) 2.593 6.969 ( 2.939 0.000 -5.873) 6.567 6.969 ( 2.939 0.000 5.873) 6.567 6.990 ( 1.217 0.000 -6.026) 6.148 6.990 ( 1.217 0.000 6.026) 6.148 7.343 ( 8.810 0.000 -7.242) 11.405 7.343 ( 8.810 0.000 7.242) 11.405 7.413 ( -5.802 0.000 -0.601) 5.833 7.413 ( -5.802 0.000 0.601) 5.833 7.540 ( 0.320 0.000 -9.221) 9.227 7.540 ( 0.320 0.000 9.221) 9.227 7.719 ( 0.241 0.000 -0.559) 0.609 7.719 ( 0.241 0.000 0.559) 0.609 7.857 ( -0.364 0.000 -2.965) 2.988 7.857 ( -0.364 0.000 2.965) 2.988 7.880 ( 2.259 0.000 -5.865) 6.285 7.880 ( 2.259 0.000 5.865) 6.285 7.998 ( 4.448 0.000 -3.856) 5.887 7.998 ( 4.448 0.000 3.856) 5.887 8.928 ( 4.325 0.000 -2.193) 4.850 8.928 ( 4.325 0.000 2.193) 4.850 9.226 ( 0.128 0.000 -3.225) 3.227 9.226 ( 0.128 0.000 3.225) 3.227 9.330 ( 3.048 0.000 -4.122) 5.127 9.330 ( 3.048 0.000 4.122) 5.127 9.822 ( -2.487 0.000 -3.406) 4.217 9.822 ( -2.487 0.000 3.406) 4.217 10.104 ( 2.157 0.000 -3.950) 4.500 10.104 ( 2.157 0.000 3.950) 4.500 10.252 ( -6.806 0.000 -10.063) 12.148 10.252 ( -6.806 0.000 10.063) 12.148 10.699 ( -1.810 0.000 -5.757) 6.035 10.699 ( -1.810 0.000 5.757) 6.035 11.002 ( -1.918 0.000 -5.187) 5.531 11.002 ( -1.918 0.000 5.187) 5.531 11.101 ( -1.193 0.000 -11.006) 11.070 11.101 ( -1.193 0.000 11.006) 11.070 11.820 ( -0.222 0.000 -1.371) 1.389 11.820 ( -0.222 0.000 1.371) 1.389 12.234 ( 0.007 0.000 -0.355) 0.355 12.234 ( 0.007 0.000 0.355) 0.355 16.579 ( -3.363 0.000 -1.885) 3.855 16.579 ( -3.363 0.000 1.885) 3.855 16.781 ( -1.385 0.000 -3.618) 3.874 16.781 ( -1.385 0.000 3.618) 3.874 16.939 ( 3.014 0.000 -6.041) 6.751 16.939 ( 3.014 0.000 6.041) 6.751 17.065 ( -11.426 0.000 -7.635) 13.742 17.065 ( -11.426 0.000 7.635) 13.742 17.224 ( -4.161 0.000 -4.324) 6.001 17.224 ( -4.161 0.000 4.324) 6.001 17.532 ( 4.800 0.000 -1.890) 5.159 17.532 ( 4.800 0.000 1.890) 5.159 17.569 ( 1.733 0.000 -2.694) 3.203 17.569 ( 1.733 0.000 2.694) 3.203 17.713 ( -0.389 0.000 -5.919) 5.932 17.713 ( -0.389 0.000 5.919) 5.932 18.355 ( 6.813 0.000 -2.119) 7.134 18.355 ( 6.813 0.000 2.119) 7.134 19.052 ( 2.669 0.000 -5.253) 5.892 19.052 ( 2.669 0.000 5.253) 5.892 19.723 ( 0.735 0.000 -2.486) 2.592 19.723 ( 0.735 0.000 2.486) 2.592 20.483 ( -5.800 0.000 -15.078) 16.155 20.483 ( -5.800 0.000 15.078) 16.155 107.916 ( -0.342 0.000 -0.215) 0.404 107.916 ( -0.342 0.000 0.215) 0.404 107.939 ( 0.415 0.000 -0.067) 0.421 107.939 ( 0.415 0.000 0.067) 0.421 107.968 ( 0.584 0.000 -0.290) 0.652 107.968 ( 0.584 0.000 0.290) 0.652 108.012 ( -0.024 0.000 -0.496) 0.497 108.012 ( -0.024 0.000 0.496) 0.497 ======================= Grid point 130 (43/60) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( 11.567 0.000 -6.403) 13.221 1.096 ( 11.567 0.000 6.403) 13.221 1.312 ( 10.126 0.000 -16.340) 19.223 1.312 ( 10.126 0.000 16.340) 19.223 1.739 ( -4.069 0.000 -5.348) 6.720 1.739 ( -4.069 0.000 5.348) 6.720 2.315 ( 9.575 0.000 -5.983) 11.290 2.315 ( 9.575 0.000 5.983) 11.290 2.439 ( -10.501 0.000 -6.699) 12.456 2.439 ( -10.501 0.000 6.699) 12.456 2.524 ( 5.540 0.000 -8.763) 10.367 2.524 ( 5.540 0.000 8.763) 10.367 2.682 ( -3.620 0.000 -8.616) 9.346 2.682 ( -3.620 0.000 8.616) 9.346 2.744 ( 7.517 0.000 -9.353) 11.999 2.744 ( 7.517 0.000 9.353) 11.999 2.896 ( 1.351 0.000 -5.458) 5.623 2.896 ( 1.351 0.000 5.458) 5.623 3.115 ( 2.208 0.000 -5.185) 5.635 3.115 ( 2.208 0.000 5.185) 5.635 3.212 ( 1.115 0.000 -5.356) 5.471 3.212 ( 1.115 0.000 5.356) 5.471 3.423 ( 12.903 0.000 -6.237) 14.331 3.423 ( 12.903 0.000 6.237) 14.331 3.443 ( 1.535 0.000 -3.517) 3.838 3.443 ( 1.535 0.000 3.517) 3.838 3.731 ( 1.286 0.000 -1.995) 2.373 3.731 ( 1.286 0.000 1.995) 2.373 3.745 ( 4.820 0.000 -0.543) 4.850 3.745 ( 4.820 0.000 0.543) 4.850 3.848 ( 1.157 0.000 -2.096) 2.394 3.848 ( 1.157 0.000 2.096) 2.394 4.156 ( 0.209 0.000 -2.512) 2.521 4.156 ( 0.209 0.000 2.512) 2.521 4.192 ( 2.827 0.000 -5.012) 5.755 4.192 ( 2.827 0.000 5.012) 5.755 4.319 ( -1.167 0.000 -2.707) 2.948 4.319 ( -1.167 0.000 2.707) 2.948 4.378 ( -3.371 0.000 -4.752) 5.827 4.378 ( -3.371 0.000 4.752) 5.827 4.598 ( -2.360 0.000 -3.596) 4.301 4.598 ( -2.360 0.000 3.596) 4.301 4.731 ( -5.018 0.000 -6.823) 8.470 4.731 ( -5.018 0.000 6.823) 8.470 5.039 ( -8.843 0.000 -2.244) 9.123 5.039 ( -8.843 0.000 2.244) 9.123 5.053 ( -2.724 0.000 -2.828) 3.927 5.053 ( -2.724 0.000 2.828) 3.927 5.338 ( -1.809 0.000 -2.466) 3.059 5.338 ( -1.809 0.000 2.466) 3.059 5.577 ( -2.642 0.000 -2.490) 3.631 5.577 ( -2.642 0.000 2.490) 3.631 5.780 ( -0.018 0.000 -0.566) 0.566 5.780 ( -0.018 0.000 0.566) 0.566 5.945 ( -6.068 0.000 -11.212) 12.749 5.945 ( -6.068 0.000 11.212) 12.749 5.963 ( -1.888 0.000 -5.057) 5.398 5.963 ( -1.888 0.000 5.057) 5.398 5.995 ( -1.720 0.000 -9.383) 9.539 5.995 ( -1.720 0.000 9.383) 9.539 6.074 ( 3.339 0.000 -7.740) 8.429 6.074 ( 3.339 0.000 7.740) 8.429 6.345 ( -6.594 0.000 -6.929) 9.565 6.345 ( -6.594 0.000 6.929) 9.565 6.487 ( -3.943 0.000 -0.472) 3.971 6.487 ( -3.943 0.000 0.472) 3.971 6.682 ( -1.998 0.000 -3.920) 4.400 6.682 ( -1.998 0.000 3.920) 4.400 6.703 ( 0.680 0.000 -5.370) 5.413 6.703 ( 0.680 0.000 5.370) 5.413 6.831 ( -3.926 0.000 -3.368) 5.173 6.831 ( -3.926 0.000 3.368) 5.173 7.032 ( 3.380 0.000 -5.995) 6.883 7.032 ( 3.380 0.000 5.995) 6.883 7.063 ( 5.461 0.000 -3.850) 6.682 7.063 ( 5.461 0.000 3.850) 6.682 7.306 ( -1.801 0.000 -4.598) 4.938 7.306 ( -1.801 0.000 4.598) 4.938 7.555 ( 9.858 0.000 -5.764) 11.419 7.555 ( 9.858 0.000 5.764) 11.419 7.628 ( 5.642 0.000 -10.838) 12.219 7.628 ( 5.642 0.000 10.838) 12.219 7.730 ( 1.142 0.000 -0.465) 1.233 7.730 ( 1.142 0.000 0.465) 1.233 7.853 ( 0.213 0.000 -0.893) 0.918 7.853 ( 0.213 0.000 0.893) 0.918 7.889 ( -1.066 0.000 -7.678) 7.751 7.889 ( -1.066 0.000 7.678) 7.751 8.128 ( 7.722 0.000 -2.641) 8.161 8.128 ( 7.722 0.000 2.641) 8.161 8.955 ( -3.430 0.000 -8.751) 9.399 8.955 ( -3.430 0.000 8.751) 9.399 9.185 ( -2.575 0.000 -4.780) 5.429 9.185 ( -2.575 0.000 4.780) 5.429 9.377 ( -0.096 0.000 -1.630) 1.633 9.377 ( -0.096 0.000 1.630) 1.633 9.868 ( 9.268 0.000 -1.437) 9.379 9.868 ( 9.268 0.000 1.437) 9.379 10.163 ( 3.325 0.000 -2.566) 4.200 10.163 ( 3.325 0.000 2.566) 4.200 10.195 ( 1.132 0.000 -6.499) 6.597 10.195 ( 1.132 0.000 6.499) 6.597 10.632 ( -4.583 0.000 -5.955) 7.514 10.632 ( -4.583 0.000 5.955) 7.514 10.947 ( -3.101 0.000 -4.449) 5.423 10.947 ( -3.101 0.000 4.449) 5.423 11.016 ( -7.051 0.000 -12.232) 14.118 11.016 ( -7.051 0.000 12.232) 14.118 11.815 ( -0.257 0.000 -0.960) 0.994 11.815 ( -0.257 0.000 0.960) 0.994 12.235 ( 0.003 0.000 -0.276) 0.276 12.235 ( 0.003 0.000 0.276) 0.276 16.513 ( -2.557 0.000 -1.178) 2.815 16.513 ( -2.557 0.000 1.178) 2.815 16.693 ( -7.604 0.000 -1.986) 7.859 16.693 ( -7.604 0.000 1.986) 7.859 16.913 ( -2.195 0.000 -2.660) 3.448 16.913 ( -2.195 0.000 2.660) 3.448 16.939 ( -3.967 0.000 -4.928) 6.326 16.939 ( -3.967 0.000 4.928) 6.326 17.197 ( 2.712 0.000 -4.562) 5.307 17.197 ( 2.712 0.000 4.562) 5.307 17.510 ( -4.522 0.000 -5.520) 7.136 17.510 ( -4.522 0.000 5.520) 7.136 17.588 ( -0.167 0.000 -2.543) 2.549 17.588 ( -0.167 0.000 2.543) 2.549 17.778 ( 4.583 0.000 -3.542) 5.793 17.778 ( 4.583 0.000 3.542) 5.793 18.497 ( 6.335 0.000 -2.430) 6.785 18.497 ( 6.335 0.000 2.430) 6.785 19.117 ( 3.169 0.000 -2.768) 4.208 19.117 ( 3.169 0.000 2.768) 4.208 19.743 ( 1.188 0.000 -2.440) 2.714 19.743 ( 1.188 0.000 2.440) 2.714 20.331 ( -8.179 0.000 -16.214) 18.160 20.331 ( -8.179 0.000 16.214) 18.160 107.909 ( -0.277 0.000 -0.153) 0.316 107.909 ( -0.277 0.000 0.153) 0.316 107.947 ( 0.378 0.000 -0.054) 0.382 107.947 ( 0.378 0.000 0.054) 0.382 107.982 ( 0.626 0.000 -0.332) 0.708 107.982 ( 0.626 0.000 0.332) 0.708 108.013 ( 0.112 0.000 -0.336) 0.354 108.013 ( 0.112 0.000 0.336) 0.354 ======================= Grid point 132 (44/60) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( 7.112 0.000 -3.827) 8.076 1.306 ( 7.112 0.000 3.827) 8.076 1.574 ( 13.973 0.000 -7.263) 15.747 1.574 ( 13.973 0.000 7.263) 15.747 1.726 ( 3.287 0.000 -5.164) 6.121 1.726 ( 3.287 0.000 5.164) 6.121 2.232 ( -8.551 0.000 -6.340) 10.645 2.232 ( -8.551 0.000 6.340) 10.645 2.239 ( -11.798 0.000 -9.215) 14.971 2.239 ( -11.798 0.000 9.215) 14.971 2.525 ( -8.616 0.000 -6.966) 11.080 2.525 ( -8.616 0.000 6.966) 11.080 2.690 ( 9.676 0.000 -0.101) 9.676 2.690 ( 9.676 0.000 0.101) 9.676 2.910 ( 3.166 0.000 -4.613) 5.595 2.910 ( 3.166 0.000 4.613) 5.595 2.989 ( 5.517 0.000 -0.052) 5.517 2.989 ( 5.517 0.000 0.052) 5.517 3.188 ( -3.089 0.000 -5.219) 6.065 3.188 ( -3.089 0.000 5.219) 6.065 3.269 ( 12.649 0.000 -2.270) 12.851 3.269 ( 12.649 0.000 2.270) 12.851 3.515 ( 4.623 0.000 -0.512) 4.651 3.515 ( 4.623 0.000 0.512) 4.651 3.659 ( 4.584 0.000 -5.854) 7.435 3.659 ( 4.584 0.000 5.854) 7.435 3.758 ( -1.436 0.000 -3.288) 3.588 3.758 ( -1.436 0.000 3.288) 3.588 3.769 ( 4.302 0.000 -1.739) 4.641 3.769 ( 4.302 0.000 1.739) 4.641 3.967 ( 7.700 0.000 -6.364) 9.990 3.967 ( 7.700 0.000 6.364) 9.990 4.104 ( -5.112 0.000 -0.759) 5.168 4.104 ( -5.112 0.000 0.759) 5.168 4.210 ( -5.266 0.000 -4.021) 6.626 4.210 ( -5.266 0.000 4.021) 6.626 4.225 ( -0.408 0.000 -4.052) 4.072 4.225 ( -0.408 0.000 4.052) 4.072 4.408 ( 3.933 0.000 -7.730) 8.673 4.408 ( 3.933 0.000 7.730) 8.673 4.632 ( 4.727 0.000 -2.382) 5.293 4.632 ( 4.727 0.000 2.382) 5.293 4.640 ( -2.491 0.000 -7.674) 8.068 4.640 ( -2.491 0.000 7.674) 8.068 4.853 ( -8.476 0.000 -5.522) 10.116 4.853 ( -8.476 0.000 5.522) 10.116 4.979 ( -5.021 0.000 -2.083) 5.436 4.979 ( -5.021 0.000 2.083) 5.436 5.320 ( 0.549 0.000 -4.994) 5.024 5.320 ( 0.549 0.000 4.994) 5.024 5.565 ( 1.800 0.000 -2.429) 3.024 5.565 ( 1.800 0.000 2.429) 3.024 5.789 ( 0.648 0.000 -1.016) 1.205 5.789 ( 0.648 0.000 1.016) 1.205 5.793 ( -6.190 0.000 -5.917) 8.563 5.793 ( -6.190 0.000 5.917) 8.563 5.924 ( -1.585 0.000 -3.003) 3.396 5.924 ( -1.585 0.000 3.003) 3.396 5.963 ( -4.615 0.000 -5.716) 7.347 5.963 ( -4.615 0.000 5.716) 7.347 6.149 ( 3.448 0.000 -5.093) 6.150 6.149 ( 3.448 0.000 5.093) 6.150 6.213 ( -3.869 0.000 -5.455) 6.688 6.213 ( -3.869 0.000 5.455) 6.688 6.373 ( -6.092 0.000 -5.266) 8.053 6.373 ( -6.092 0.000 5.266) 8.053 6.624 ( -2.985 0.000 -2.422) 3.844 6.624 ( -2.985 0.000 2.422) 3.844 6.686 ( -1.327 0.000 -1.967) 2.373 6.686 ( -1.327 0.000 1.967) 2.373 6.746 ( -3.123 0.000 -3.935) 5.023 6.746 ( -3.123 0.000 3.935) 5.023 7.087 ( 1.515 0.000 -1.593) 2.198 7.087 ( 1.515 0.000 1.593) 2.198 7.164 ( 3.664 0.000 -1.913) 4.134 7.164 ( 3.664 0.000 1.913) 4.134 7.339 ( 3.439 0.000 -2.513) 4.259 7.339 ( 3.439 0.000 2.513) 4.259 7.675 ( 1.591 0.000 -1.986) 2.545 7.675 ( 1.591 0.000 1.986) 2.545 7.707 ( 0.882 0.000 -7.545) 7.596 7.707 ( 0.882 0.000 7.545) 7.596 7.799 ( 4.481 0.000 -2.187) 4.986 7.799 ( 4.481 0.000 2.187) 4.986 7.870 ( 1.520 0.000 -0.853) 1.743 7.870 ( 1.520 0.000 0.853) 1.743 7.873 ( 0.420 0.000 -6.126) 6.141 7.873 ( 0.420 0.000 6.126) 6.141 8.307 ( 9.182 0.000 -3.351) 9.774 8.307 ( 9.182 0.000 3.351) 9.774 8.794 ( -10.205 0.000 -12.535) 16.163 8.794 ( -10.205 0.000 12.535) 16.163 9.138 ( -1.733 0.000 -5.376) 5.649 9.138 ( -1.733 0.000 5.376) 5.649 9.388 ( 1.299 0.000 -2.921) 3.196 9.388 ( 1.299 0.000 2.921) 3.196 10.137 ( 13.772 0.000 -2.825) 14.059 10.137 ( 13.772 0.000 2.825) 14.059 10.230 ( 2.705 0.000 -1.230) 2.972 10.230 ( 2.705 0.000 1.230) 2.972 10.276 ( 6.713 0.000 -5.078) 8.417 10.276 ( 6.713 0.000 5.078) 8.417 10.513 ( -6.553 0.000 -5.843) 8.779 10.513 ( -6.553 0.000 5.843) 8.779 10.815 ( -11.789 0.000 -9.514) 15.150 10.815 ( -11.789 0.000 9.514) 15.150 10.884 ( -2.618 0.000 -2.796) 3.830 10.884 ( -2.618 0.000 2.796) 3.830 11.811 ( -0.147 0.000 -0.477) 0.499 11.811 ( -0.147 0.000 0.477) 0.500 12.235 ( -0.002 0.000 -0.150) 0.150 12.235 ( -0.002 0.000 0.150) 0.150 16.479 ( -0.750 0.000 -1.458) 1.640 16.479 ( -0.750 0.000 1.458) 1.640 16.532 ( -6.261 0.000 -3.425) 7.137 16.532 ( -6.261 0.000 3.425) 7.137 16.832 ( -4.817 0.000 -4.561) 6.634 16.832 ( -4.817 0.000 4.561) 6.634 16.919 ( 1.451 0.000 -6.042) 6.214 16.919 ( 1.451 0.000 6.042) 6.214 17.288 ( 4.721 0.000 -6.044) 7.669 17.288 ( 4.721 0.000 6.044) 7.669 17.410 ( -4.279 0.000 -4.993) 6.576 17.410 ( -4.279 0.000 4.993) 6.576 17.563 ( -2.003 0.000 -3.463) 4.001 17.563 ( -2.003 0.000 3.463) 4.001 17.855 ( 2.593 0.000 -1.737) 3.121 17.855 ( 2.593 0.000 1.737) 3.121 18.610 ( 4.146 0.000 -1.573) 4.435 18.610 ( 4.146 0.000 1.573) 4.435 19.169 ( 1.603 0.000 -1.247) 2.031 19.169 ( 1.603 0.000 1.247) 2.031 19.775 ( 1.752 0.000 -1.172) 2.108 19.775 ( 1.752 0.000 1.172) 2.108 20.169 ( -6.635 0.000 -9.616) 11.683 20.169 ( -6.635 0.000 9.616) 11.683 107.905 ( -0.148 0.000 -0.082) 0.169 107.905 ( -0.148 0.000 0.082) 0.169 107.954 ( 0.218 0.000 -0.027) 0.220 107.954 ( 0.218 0.000 0.027) 0.220 107.992 ( 0.356 0.000 -0.206) 0.411 107.992 ( 0.356 0.000 0.206) 0.411 108.016 ( 0.151 0.000 -0.203) 0.253 108.016 ( 0.151 0.000 0.203) 0.253 ======================= Grid point 134 (45/60) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 0.000 0.000 -0.000) 0.000 1.375 ( 0.000 0.000 0.000) 0.000 1.801 ( 0.000 0.000 0.000) 0.000 1.801 ( 0.000 0.000 0.000) 0.000 1.803 ( 0.000 0.000 -0.000) 0.000 1.803 ( 0.000 0.000 0.000) 0.000 2.027 ( 0.000 0.000 -0.000) 0.000 2.027 ( 0.000 0.000 0.000) 0.000 2.123 ( -0.000 0.000 0.000) 0.000 2.123 ( 0.000 0.000 0.000) 0.000 2.416 ( 0.000 0.000 -0.000) 0.000 2.416 ( 0.000 0.000 0.000) 0.000 2.853 ( -0.000 0.000 0.000) 0.000 2.853 ( -0.000 0.000 0.000) 0.000 2.876 ( -0.000 0.000 -0.000) 0.000 2.876 ( 0.000 0.000 -0.000) 0.000 3.089 ( 0.000 0.000 -0.000) 0.000 3.089 ( 0.000 0.000 0.000) 0.000 3.112 ( -0.000 0.000 -0.000) 0.000 3.112 ( 0.000 0.000 0.000) 0.000 3.526 ( 0.000 0.000 -0.000) 0.000 3.526 ( 0.000 0.000 0.000) 0.000 3.568 ( -0.000 0.000 -0.000) 0.000 3.568 ( 0.000 0.000 0.000) 0.000 3.578 ( 0.000 0.000 0.000) 0.000 3.578 ( 0.000 0.000 0.000) 0.000 3.734 ( -0.000 0.000 -0.000) 0.000 3.734 ( 0.000 0.000 0.000) 0.000 3.896 ( 0.000 0.000 0.000) 0.000 3.896 ( 0.000 0.000 0.000) 0.000 3.987 ( -0.000 0.000 0.000) 0.000 3.987 ( -0.000 0.000 0.000) 0.000 4.092 ( -0.000 0.000 -0.000) 0.000 4.092 ( 0.000 0.000 0.000) 0.000 4.162 ( 0.000 0.000 -0.000) 0.000 4.162 ( 0.000 0.000 0.000) 0.000 4.178 ( -0.000 0.000 -0.000) 0.000 4.178 ( -0.000 0.000 0.000) 0.000 4.467 ( 0.000 0.000 0.000) 0.000 4.467 ( 0.000 0.000 0.000) 0.000 4.641 ( 0.000 0.000 -0.000) 0.000 4.641 ( -0.000 0.000 0.000) 0.000 4.729 ( 0.000 0.000 0.000) 0.000 4.729 ( 0.000 0.000 0.000) 0.000 4.733 ( -0.000 0.000 -0.000) 0.000 4.733 ( 0.000 0.000 0.000) 0.000 4.880 ( 0.000 0.000 0.000) 0.000 4.880 ( 0.000 0.000 0.000) 0.000 5.337 ( 0.000 0.000 -0.000) 0.000 5.337 ( 0.000 0.000 0.000) 0.000 5.603 ( 0.000 0.000 -0.000) 0.000 5.603 ( 0.000 0.000 0.000) 0.000 5.780 ( 0.000 0.000 -0.000) 0.000 5.780 ( 0.000 0.000 0.000) 0.000 5.797 ( 0.000 0.000 0.000) 0.000 5.797 ( 0.000 0.000 0.000) 0.000 5.804 ( -0.000 0.000 -0.000) 0.000 5.804 ( -0.000 0.000 0.000) 0.000 5.906 ( 0.000 0.000 -0.000) 0.000 5.906 ( 0.000 0.000 0.000) 0.000 6.191 ( -0.000 0.000 0.000) 0.000 6.191 ( 0.000 0.000 0.000) 0.000 6.236 ( 0.000 0.000 -0.000) 0.000 6.236 ( 0.000 0.000 0.000) 0.000 6.259 ( -0.000 0.000 -0.000) 0.000 6.259 ( 0.000 0.000 0.000) 0.000 6.587 ( 0.000 0.000 0.000) 0.000 6.587 ( 0.000 0.000 0.000) 0.000 6.671 ( 0.000 0.000 -0.000) 0.000 6.671 ( 0.000 0.000 0.000) 0.000 6.713 ( 0.000 0.000 -0.000) 0.000 6.713 ( 0.000 0.000 0.000) 0.000 7.102 ( 0.000 0.000 -0.000) 0.000 7.102 ( 0.000 0.000 0.000) 0.000 7.203 ( 0.000 0.000 0.000) 0.000 7.203 ( 0.000 0.000 0.000) 0.000 7.386 ( 0.000 0.000 0.000) 0.000 7.386 ( 0.000 0.000 0.000) 0.000 7.685 ( 0.000 0.000 0.000) 0.000 7.685 ( 0.000 0.000 0.000) 0.000 7.699 ( 0.000 0.000 0.000) 0.000 7.699 ( 0.000 0.000 0.000) 0.000 7.842 ( 0.000 0.000 -0.000) 0.000 7.842 ( 0.000 0.000 0.000) 0.000 7.888 ( 0.000 0.000 -0.000) 0.000 7.888 ( 0.000 0.000 0.000) 0.000 7.899 ( 0.000 0.000 0.000) 0.000 7.899 ( 0.000 0.000 0.000) 0.000 8.459 ( 0.000 0.000 -0.000) 0.000 8.459 ( 0.000 0.000 0.000) 0.000 8.627 ( -0.000 0.000 -0.000) 0.000 8.627 ( 0.000 0.000 0.000) 0.000 9.120 ( 0.000 0.000 -0.000) 0.000 9.120 ( 0.000 0.000 0.000) 0.000 9.406 ( 0.000 0.000 0.000) 0.000 9.406 ( 0.000 0.000 0.000) 0.000 10.261 ( 0.000 0.000 -0.000) 0.000 10.261 ( 0.000 0.000 0.000) 0.000 10.331 ( 0.000 0.000 -0.000) 0.000 10.331 ( 0.000 0.000 0.000) 0.000 10.376 ( -0.000 0.000 -0.000) 0.000 10.376 ( -0.000 0.000 0.000) 0.000 10.476 ( 0.000 0.000 -0.000) 0.000 10.476 ( 0.000 0.000 0.000) 0.000 10.583 ( -0.000 0.000 -0.000) 0.000 10.583 ( -0.000 0.000 0.000) 0.000 10.854 ( 0.000 0.000 0.000) 0.000 10.854 ( 0.000 0.000 0.000) 0.000 11.809 ( 0.000 0.000 0.000) 0.000 11.809 ( 0.000 0.000 0.000) 0.000 12.235 ( 0.000 0.000 0.000) 0.000 12.235 ( 0.000 0.000 0.000) 0.000 16.463 ( 0.000 0.000 -0.000) 0.000 16.463 ( 0.000 0.000 0.000) 0.000 16.474 ( 0.000 0.000 -0.000) 0.000 16.474 ( 0.000 0.000 -0.000) 0.000 16.776 ( 0.000 0.000 0.000) 0.000 16.776 ( 0.000 0.000 0.000) 0.000 16.940 ( 0.000 0.000 -0.000) 0.000 16.940 ( 0.000 0.000 0.000) 0.000 17.349 ( 0.000 0.000 -0.000) 0.000 17.349 ( 0.000 0.000 0.000) 0.000 17.360 ( 0.000 0.000 -0.000) 0.000 17.360 ( -0.000 0.000 0.000) 0.000 17.531 ( 0.000 0.000 0.000) 0.000 17.531 ( 0.000 0.000 0.000) 0.000 17.882 ( 0.000 0.000 -0.000) 0.000 17.882 ( 0.000 0.000 0.000) 0.000 18.656 ( 0.000 0.000 -0.000) 0.000 18.656 ( 0.000 0.000 0.000) 0.000 19.185 ( 0.000 0.000 0.000) 0.000 19.185 ( 0.000 0.000 0.000) 0.000 19.799 ( 0.000 0.000 -0.000) 0.000 19.799 ( 0.000 0.000 0.000) 0.000 20.090 ( 0.000 0.000 -0.000) 0.000 20.090 ( 0.000 0.000 0.000) 0.000 107.903 ( 0.000 0.000 0.000) 0.000 107.903 ( 0.000 0.000 0.000) 0.000 107.956 ( 0.000 0.000 0.000) 0.000 107.956 ( 0.000 0.000 0.000) 0.000 107.996 ( 0.000 0.000 -0.000) 0.000 107.996 ( 0.000 0.000 0.000) 0.000 108.018 ( 0.000 0.000 0.000) 0.000 108.018 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 144 (46/60) ======================= q-point: ( 0.00 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( 0.000 20.736 -8.723) 22.497 1.117 ( 0.000 20.736 8.723) 22.497 1.250 ( 0.000 8.297 -18.871) 20.614 1.250 ( 0.000 8.297 18.871) 20.614 1.774 ( 0.000 -0.785 -13.117) 13.141 1.774 ( 0.000 -0.785 13.117) 13.141 2.049 ( 0.000 9.254 -11.596) 14.836 2.049 ( 0.000 9.254 11.596) 14.836 2.180 ( 0.000 0.575 -1.723) 1.817 2.180 ( 0.000 0.575 1.723) 1.817 2.341 ( 0.000 -13.207 -0.102) 13.208 2.341 ( 0.000 -13.207 0.102) 13.208 2.623 ( 0.000 0.745 -10.245) 10.272 2.623 ( 0.000 0.745 10.245) 10.272 2.918 ( 0.000 3.391 -3.171) 4.642 2.918 ( 0.000 3.391 3.171) 4.642 3.024 ( 0.000 3.879 -0.084) 3.879 3.024 ( 0.000 3.879 0.084) 3.879 3.109 ( 0.000 -1.191 -5.392) 5.522 3.109 ( 0.000 -1.191 5.392) 5.522 3.154 ( 0.000 -4.709 -5.436) 7.192 3.154 ( 0.000 -4.709 5.436) 7.192 3.256 ( 0.000 7.192 -5.702) 9.178 3.256 ( 0.000 7.192 5.702) 9.178 3.420 ( 0.000 1.665 -4.690) 4.977 3.420 ( 0.000 1.665 4.690) 4.977 3.552 ( 0.000 0.180 -2.706) 2.712 3.552 ( 0.000 0.180 2.706) 2.712 3.717 ( 0.000 -0.933 -0.451) 1.036 3.717 ( 0.000 -0.933 0.451) 1.036 4.008 ( 0.000 1.327 -0.388) 1.382 4.008 ( 0.000 1.327 0.388) 1.382 4.063 ( 0.000 3.094 -0.459) 3.128 4.063 ( 0.000 3.094 0.459) 3.128 4.099 ( 0.000 2.086 -2.738) 3.442 4.099 ( 0.000 2.086 2.738) 3.442 4.275 ( 0.000 1.046 -10.138) 10.192 4.275 ( 0.000 1.046 10.138) 10.192 4.502 ( 0.000 -4.029 -5.003) 6.424 4.502 ( 0.000 -4.029 5.003) 6.424 4.778 ( 0.000 1.476 -1.337) 1.992 4.778 ( 0.000 1.476 1.337) 1.992 4.898 ( 0.000 3.800 -5.102) 6.362 4.898 ( 0.000 3.800 5.102) 6.362 5.242 ( 0.000 1.618 -0.278) 1.642 5.242 ( 0.000 1.618 0.278) 1.642 5.295 ( 0.000 2.052 -1.208) 2.382 5.295 ( 0.000 2.052 1.208) 2.382 5.373 ( 0.000 0.792 -0.451) 0.911 5.373 ( 0.000 0.792 0.451) 0.911 5.690 ( 0.000 -0.453 -1.634) 1.696 5.690 ( 0.000 -0.453 1.634) 1.696 5.835 ( 0.000 -1.428 -0.128) 1.433 5.835 ( 0.000 -1.428 0.128) 1.433 5.914 ( 0.000 1.558 -2.236) 2.726 5.914 ( 0.000 1.558 2.236) 2.726 6.032 ( 0.000 4.889 -7.038) 8.569 6.032 ( 0.000 4.889 7.038) 8.569 6.070 ( 0.000 1.747 -3.185) 3.632 6.070 ( 0.000 1.747 3.185) 3.632 6.140 ( 0.000 0.956 -5.861) 5.938 6.140 ( 0.000 0.956 5.861) 5.938 6.343 ( 0.000 -5.006 -1.283) 5.168 6.343 ( 0.000 -5.006 1.283) 5.168 6.521 ( 0.000 -3.334 -2.530) 4.185 6.521 ( 0.000 -3.334 2.530) 4.185 6.597 ( 0.000 -1.324 -3.563) 3.801 6.597 ( 0.000 -1.324 3.563) 3.801 6.689 ( 0.000 0.276 -1.704) 1.727 6.689 ( 0.000 0.276 1.704) 1.727 6.838 ( 0.000 -0.838 -2.396) 2.538 6.838 ( 0.000 -0.838 2.396) 2.538 6.953 ( 0.000 0.024 -3.514) 3.514 6.953 ( 0.000 0.024 3.514) 3.514 7.109 ( 0.000 13.961 -4.511) 14.672 7.109 ( 0.000 13.961 4.511) 14.672 7.273 ( 0.000 3.396 -6.893) 7.685 7.273 ( 0.000 3.396 6.893) 7.685 7.440 ( 0.000 -0.398 -3.809) 3.830 7.440 ( 0.000 -0.398 3.809) 3.830 7.589 ( 0.000 -1.231 -0.827) 1.483 7.589 ( 0.000 -1.231 0.827) 1.483 7.741 ( 0.000 -0.629 -1.030) 1.207 7.741 ( 0.000 -0.629 1.030) 1.207 7.815 ( 0.000 2.057 -2.776) 3.455 7.815 ( 0.000 2.057 2.776) 3.455 7.855 ( 0.000 -0.810 -1.431) 1.645 7.855 ( 0.000 -0.810 1.431) 1.645 7.987 ( 0.000 2.663 -2.089) 3.385 7.987 ( 0.000 2.663 2.089) 3.385 8.791 ( 0.000 -10.403 -2.250) 10.643 8.791 ( 0.000 -10.403 2.250) 10.643 9.033 ( 0.000 -14.435 -2.861) 14.715 9.033 ( 0.000 -14.435 2.861) 14.715 9.148 ( 0.000 -14.580 -9.453) 17.376 9.148 ( 0.000 -14.580 9.453) 17.376 9.642 ( 0.000 -11.858 -6.210) 13.386 9.642 ( 0.000 -11.858 6.210) 13.386 10.119 ( 0.000 -7.464 -10.285) 12.708 10.119 ( 0.000 -7.464 10.285) 12.708 10.500 ( 0.000 15.120 -3.574) 15.536 10.500 ( 0.000 15.120 3.574) 15.536 10.695 ( 0.000 1.120 -6.247) 6.347 10.695 ( 0.000 1.120 6.247) 6.347 10.919 ( 0.000 -11.257 -2.809) 11.602 10.919 ( 0.000 -11.257 2.809) 11.602 11.225 ( 0.000 14.578 -3.273) 14.941 11.225 ( 0.000 14.578 3.273) 14.941 11.818 ( 0.000 0.252 -2.399) 2.412 11.818 ( 0.000 0.252 2.399) 2.412 12.337 ( 0.000 5.667 -6.239) 8.429 12.337 ( 0.000 5.667 6.239) 8.429 16.632 ( 0.000 0.874 -0.743) 1.147 16.632 ( 0.000 0.874 0.743) 1.147 16.777 ( 0.000 -1.505 -0.645) 1.638 16.777 ( 0.000 -1.505 0.645) 1.638 16.941 ( 0.000 3.848 -2.246) 4.456 16.941 ( 0.000 3.848 2.246) 4.456 17.262 ( 0.000 -0.571 -6.155) 6.181 17.262 ( 0.000 -0.571 6.155) 6.181 17.310 ( 0.000 1.383 -3.854) 4.095 17.310 ( 0.000 1.383 3.854) 4.095 17.460 ( 0.000 3.860 -1.311) 4.076 17.460 ( 0.000 3.860 1.311) 4.076 17.498 ( 0.000 -0.806 -2.192) 2.336 17.498 ( 0.000 -0.806 2.192) 2.336 17.802 ( 0.000 5.350 -3.919) 6.631 17.802 ( 0.000 5.350 3.919) 6.631 18.298 ( 0.000 3.422 -0.096) 3.423 18.298 ( 0.000 3.422 0.096) 3.423 18.994 ( 0.000 -2.794 -5.937) 6.561 18.994 ( 0.000 -2.794 5.937) 6.561 19.739 ( 0.000 2.542 -2.690) 3.701 19.739 ( 0.000 2.542 2.690) 3.701 20.429 ( 0.000 -10.971 -2.926) 11.354 20.429 ( 0.000 -10.971 2.926) 11.354 107.925 ( 0.000 0.376 -0.084) 0.385 107.925 ( 0.000 0.376 0.084) 0.385 107.934 ( 0.000 0.134 -0.042) 0.140 107.934 ( 0.000 0.134 0.042) 0.140 107.962 ( 0.000 0.134 -0.141) 0.195 107.962 ( 0.000 0.134 0.141) 0.195 108.008 ( 0.000 -0.425 -0.490) 0.648 108.008 ( 0.000 -0.425 0.490) 0.648 ======================= Grid point 146 (47/60) ======================= q-point: ( 0.12 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( 4.486 14.480 -8.272) 17.269 1.165 ( 4.486 14.480 8.272) 17.269 1.289 ( 4.409 16.690 -13.788) 22.093 1.289 ( 4.409 16.690 13.788) 22.093 1.815 ( 0.201 -1.733 -2.831) 3.326 1.815 ( 0.201 -1.733 2.831) 3.326 2.116 ( 6.798 9.111 -12.369) 16.800 2.116 ( 6.798 9.111 12.369) 16.800 2.246 ( 8.133 -6.414 -0.313) 10.362 2.246 ( 8.133 -6.414 0.313) 10.362 2.405 ( 4.675 -9.893 -3.163) 11.390 2.405 ( 4.675 -9.893 3.163) 11.390 2.677 ( 2.702 0.182 -5.749) 6.354 2.677 ( 2.702 0.182 5.749) 6.354 2.862 ( -6.255 8.677 -4.058) 11.441 2.862 ( -6.255 8.677 4.058) 11.441 2.953 ( -2.191 -0.942 -0.904) 2.551 2.953 ( -2.191 -0.942 0.904) 2.551 3.100 ( 0.304 -4.876 -4.077) 6.363 3.100 ( 0.304 -4.876 4.077) 6.363 3.197 ( 1.814 2.668 -6.726) 7.459 3.197 ( 1.814 2.668 6.726) 7.459 3.281 ( 3.637 6.739 -0.831) 7.702 3.281 ( 3.637 6.739 0.831) 7.702 3.432 ( 0.324 0.268 -4.679) 4.697 3.432 ( 0.324 0.268 4.679) 4.697 3.618 ( 5.609 -0.179 -1.817) 5.899 3.618 ( 5.609 -0.179 1.817) 5.899 3.706 ( -0.282 0.218 -0.381) 0.522 3.706 ( -0.282 0.218 0.381) 0.522 3.933 ( -4.663 3.133 -1.188) 5.742 3.933 ( -4.663 3.133 1.188) 5.742 4.081 ( 1.897 -1.114 -2.057) 3.012 4.081 ( 1.897 -1.114 2.057) 3.012 4.154 ( 2.680 1.366 -2.202) 3.728 4.154 ( 2.680 1.366 2.202) 3.728 4.293 ( 1.724 0.267 -8.420) 8.599 4.293 ( 1.724 0.267 8.420) 8.599 4.465 ( -3.338 -2.408 -3.955) 5.708 4.465 ( -3.338 -2.408 3.955) 5.708 4.729 ( -4.380 2.563 -1.518) 5.298 4.729 ( -4.380 2.563 1.518) 5.298 4.824 ( -6.297 1.314 -5.147) 8.238 4.824 ( -6.297 1.314 5.147) 8.238 5.168 ( -5.001 2.087 -0.986) 5.508 5.168 ( -5.001 2.087 0.986) 5.508 5.217 ( -6.236 1.586 -1.638) 6.640 5.217 ( -6.236 1.586 1.638) 6.640 5.369 ( -0.584 0.803 -1.227) 1.578 5.369 ( -0.584 0.803 1.227) 1.578 5.645 ( -3.808 -0.502 -1.943) 4.304 5.645 ( -3.808 -0.502 1.943) 4.304 5.814 ( -1.104 -1.057 -1.623) 2.230 5.814 ( -1.104 -1.057 1.623) 2.230 5.905 ( -0.970 -0.414 -3.635) 3.785 5.905 ( -0.970 -0.414 3.635) 3.785 6.018 ( -1.794 2.942 -7.399) 8.162 6.018 ( -1.794 2.942 7.399) 8.162 6.087 ( -1.686 1.223 -3.303) 3.905 6.087 ( -1.686 1.223 3.303) 3.905 6.137 ( 1.756 4.972 -3.473) 6.314 6.137 ( 1.756 4.972 3.473) 6.314 6.403 ( 1.499 -3.904 -2.588) 4.918 6.403 ( 1.499 -3.904 2.588) 4.918 6.498 ( -3.627 -2.427 -2.803) 5.186 6.498 ( -3.627 -2.427 2.803) 5.186 6.622 ( 5.394 0.120 -4.198) 6.836 6.622 ( 5.394 0.120 4.198) 6.836 6.696 ( 2.012 -1.504 -3.524) 4.328 6.696 ( 2.012 -1.504 3.524) 4.328 6.877 ( 1.531 0.586 -0.908) 1.874 6.877 ( 1.531 0.586 0.908) 1.874 6.947 ( 0.363 0.746 -6.718) 6.769 6.947 ( 0.363 0.746 6.718) 6.769 7.135 ( 1.004 11.373 -4.725) 12.356 7.135 ( 1.004 11.373 4.725) 12.356 7.326 ( 2.787 0.170 -5.920) 6.545 7.326 ( 2.787 0.170 5.920) 6.545 7.418 ( -1.002 0.067 -0.607) 1.174 7.418 ( -1.002 0.067 0.607) 1.174 7.545 ( -0.014 0.518 -8.022) 8.039 7.545 ( -0.014 0.518 8.022) 8.039 7.752 ( 0.496 2.066 -2.021) 2.932 7.752 ( 0.496 2.066 2.021) 2.932 7.783 ( 0.649 -2.025 -3.915) 4.456 7.783 ( 0.649 -2.025 3.915) 4.456 7.953 ( 4.622 1.974 -2.150) 5.467 7.953 ( 4.622 1.974 2.150) 5.467 8.008 ( 2.030 2.342 -2.916) 4.256 8.008 ( 2.030 2.342 2.916) 4.256 8.824 ( 2.295 -13.785 -1.848) 14.096 8.824 ( 2.295 -13.785 1.848) 14.096 9.043 ( -0.747 -13.877 -3.544) 14.342 9.043 ( -0.747 -13.877 3.544) 14.342 9.175 ( 2.551 -15.530 -3.930) 16.221 9.175 ( 2.551 -15.530 3.930) 16.221 9.664 ( 2.633 -9.070 -3.200) 9.972 9.664 ( 2.633 -9.070 3.200) 9.972 10.053 ( -3.725 -6.117 -8.115) 10.823 10.053 ( -3.725 -6.117 8.115) 10.823 10.478 ( -1.310 16.284 -3.281) 16.663 10.478 ( -1.310 16.284 3.281) 16.663 10.687 ( -1.075 2.305 -5.614) 6.163 10.687 ( -1.075 2.305 5.614) 6.163 10.944 ( 0.852 -10.837 -6.834) 12.840 10.944 ( 0.852 -10.837 6.834) 12.840 11.206 ( -1.815 14.611 -3.208) 15.068 11.206 ( -1.815 14.611 3.208) 15.068 11.815 ( -0.237 0.084 -2.116) 2.131 11.815 ( -0.237 0.084 2.116) 2.131 12.308 ( -2.374 4.224 -4.627) 6.700 12.308 ( -2.374 4.224 4.627) 6.700 16.596 ( -3.099 1.568 -1.412) 3.749 16.596 ( -3.099 1.568 1.412) 3.749 16.766 ( -1.323 -1.480 -3.562) 4.078 16.766 ( -1.323 -1.480 3.562) 4.078 16.940 ( -1.137 0.248 -2.912) 3.136 16.940 ( -1.137 0.248 2.912) 3.136 17.083 ( -9.194 1.387 -6.853) 11.550 17.083 ( -9.194 1.387 6.853) 11.550 17.273 ( -4.051 3.957 -0.546) 5.689 17.273 ( -4.051 3.957 0.546) 5.689 17.518 ( 2.905 -2.584 -1.778) 4.276 17.518 ( 2.905 -2.584 1.778) 4.276 17.581 ( 4.330 2.899 -4.265) 6.734 17.581 ( 4.330 2.899 4.265) 6.734 17.763 ( -1.670 4.388 -3.510) 5.862 17.763 ( -1.670 4.388 3.510) 5.862 18.388 ( 6.774 3.447 -1.965) 7.851 18.388 ( 6.774 3.447 1.965) 7.851 19.018 ( 2.203 -3.421 -4.754) 6.258 19.018 ( 2.203 -3.421 4.754) 6.258 19.747 ( 0.703 2.539 -3.009) 3.999 19.747 ( 0.703 2.539 3.009) 3.999 20.383 ( -4.257 -9.421 -13.044) 16.643 20.383 ( -4.257 -9.421 13.044) 16.643 107.920 ( -0.368 0.370 -0.130) 0.538 107.920 ( -0.368 0.370 0.130) 0.538 107.940 ( 0.367 0.070 -0.034) 0.375 107.940 ( 0.367 0.070 0.034) 0.375 107.969 ( 0.539 0.075 -0.283) 0.613 107.969 ( 0.539 0.075 0.283) 0.613 108.008 ( 0.044 -0.349 -0.412) 0.541 108.008 ( 0.044 -0.349 0.412) 0.541 ======================= Grid point 148 (48/60) ======================= q-point: ( 0.25 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( 5.407 10.089 -7.730) 13.812 1.278 ( 5.407 10.089 7.730) 13.812 1.457 ( 11.516 17.892 -3.716) 21.600 1.457 ( 11.516 17.892 3.716) 21.600 1.767 ( -2.170 3.374 -2.524) 4.740 1.767 ( -2.170 3.374 2.524) 4.740 2.248 ( 2.309 -7.500 -6.598) 10.253 2.248 ( 2.309 -7.500 6.598) 10.253 2.401 ( 0.082 0.248 -5.969) 5.975 2.401 ( 0.082 0.248 5.969) 5.975 2.539 ( 0.164 -1.755 -2.914) 3.406 2.539 ( 0.164 -1.755 2.914) 3.406 2.615 ( 6.508 -3.296 -3.814) 8.231 2.615 ( 6.508 -3.296 3.814) 8.231 2.838 ( 2.037 6.447 -5.251) 8.561 2.838 ( 2.037 6.447 5.251) 8.561 2.944 ( 0.782 1.795 -3.294) 3.831 2.944 ( 0.782 1.795 3.294) 3.831 3.113 ( 1.261 -0.009 -2.290) 2.614 3.113 ( 1.261 -0.009 2.290) 2.614 3.233 ( 1.448 3.940 -7.072) 8.224 3.233 ( 1.448 3.940 7.072) 8.224 3.421 ( 4.715 0.296 -3.876) 6.111 3.421 ( 4.715 0.296 3.876) 6.111 3.453 ( 7.236 0.472 -4.730) 8.658 3.453 ( 7.236 0.472 4.730) 8.658 3.708 ( 2.405 -0.150 -1.916) 3.078 3.708 ( 2.405 -0.150 1.916) 3.078 3.772 ( 6.447 0.189 -2.250) 6.831 3.772 ( 6.447 0.189 2.250) 6.831 3.860 ( -2.099 2.185 -2.753) 4.093 3.860 ( -2.099 2.185 2.753) 4.093 4.125 ( 1.774 -3.271 -4.389) 5.754 4.125 ( 1.774 -3.271 4.389) 5.754 4.183 ( -0.065 -0.063 -1.732) 1.734 4.183 ( -0.065 -0.063 1.732) 1.734 4.331 ( 0.291 0.579 -3.606) 3.664 4.331 ( 0.291 0.579 3.606) 3.664 4.382 ( -2.992 -0.239 -1.739) 3.468 4.382 ( -2.992 -0.239 1.739) 3.468 4.635 ( -3.274 2.920 -2.654) 5.127 4.635 ( -3.274 2.920 2.654) 5.127 4.683 ( -6.230 -3.159 -4.823) 8.488 4.683 ( -6.230 -3.159 4.823) 8.488 5.034 ( -8.788 -0.470 -1.695) 8.963 5.034 ( -8.788 -0.470 1.695) 8.963 5.099 ( -4.049 3.056 -2.788) 5.788 5.099 ( -4.049 3.056 2.788) 5.788 5.347 ( -1.245 1.262 -1.793) 2.522 5.347 ( -1.245 1.262 1.793) 2.522 5.568 ( -2.690 -0.811 -1.574) 3.221 5.568 ( -2.690 -0.811 1.574) 3.221 5.802 ( -0.203 0.594 -2.615) 2.689 5.802 ( -0.203 0.594 2.615) 2.689 5.879 ( -1.739 -2.571 -5.943) 6.705 5.879 ( -1.739 -2.571 5.943) 6.705 5.955 ( -3.965 0.017 -9.265) 10.077 5.955 ( -3.965 0.017 9.265) 10.077 6.006 ( -4.073 1.894 -2.855) 5.322 6.006 ( -4.073 1.894 2.855) 5.322 6.189 ( 1.012 5.454 -2.469) 6.072 6.189 ( 1.012 5.454 2.469) 6.072 6.322 ( -4.561 -0.164 -4.484) 6.398 6.322 ( -4.561 -0.164 4.484) 6.398 6.471 ( -2.132 -0.359 -0.509) 2.221 6.471 ( -2.132 -0.359 0.509) 2.221 6.693 ( -0.005 -0.046 -5.199) 5.200 6.693 ( -0.005 -0.046 5.199) 5.200 6.734 ( 0.282 0.772 -2.102) 2.257 6.734 ( 0.282 0.772 2.102) 2.257 6.864 ( -2.467 3.519 -0.604) 4.340 6.864 ( -2.467 3.519 0.604) 4.340 7.003 ( 4.511 0.144 -4.632) 6.467 7.003 ( 4.511 0.144 4.632) 6.467 7.152 ( 1.916 5.948 -2.698) 6.807 7.152 ( 1.916 5.948 2.698) 6.807 7.293 ( -1.340 0.486 -3.279) 3.576 7.293 ( -1.340 0.486 3.279) 3.576 7.530 ( 7.362 -2.311 -4.305) 8.836 7.530 ( 7.362 -2.311 4.305) 8.836 7.607 ( 4.218 -1.839 -4.899) 6.721 7.607 ( 4.218 -1.839 4.899) 6.721 7.769 ( 1.668 2.971 -4.258) 5.453 7.769 ( 1.668 2.971 4.258) 5.453 7.823 ( 2.605 1.241 -2.775) 4.003 7.823 ( 2.605 1.241 2.775) 4.003 7.982 ( -1.071 6.002 -4.000) 7.292 7.982 ( -1.071 6.002 4.000) 7.292 8.109 ( 7.032 -1.748 -2.527) 7.674 8.109 ( 7.032 -1.748 2.527) 7.674 8.843 ( -1.564 -14.498 -6.863) 16.117 8.843 ( -1.564 -14.498 6.863) 16.117 8.991 ( -3.814 -14.148 -5.376) 15.608 8.991 ( -3.814 -14.148 5.376) 15.608 9.188 ( -0.847 -18.156 -0.382) 18.180 9.188 ( -0.847 -18.156 0.382) 18.180 9.807 ( 11.361 -3.976 -1.177) 12.094 9.807 ( 11.361 -3.976 1.177) 12.094 10.049 ( 3.485 -3.927 -2.504) 5.817 10.049 ( 3.485 -3.927 2.504) 5.817 10.451 ( -1.635 11.526 -3.987) 12.305 10.451 ( -1.635 11.526 3.987) 12.305 10.652 ( -2.002 7.590 -3.618) 8.644 10.652 ( -2.002 7.590 3.618) 8.644 10.908 ( -4.698 -8.707 -9.193) 13.506 10.908 ( -4.698 -8.707 9.193) 13.506 11.151 ( -3.267 15.054 -3.364) 15.767 11.151 ( -3.267 15.054 3.364) 15.767 11.809 ( -0.313 -0.201 -1.457) 1.503 11.809 ( -0.313 -0.201 1.457) 1.503 12.259 ( -2.014 1.181 -2.306) 3.282 12.259 ( -2.014 1.181 2.306) 3.282 16.525 ( -3.272 1.196 -1.024) 3.631 16.525 ( -3.272 1.196 1.024) 3.631 16.682 ( -7.128 -1.081 -1.453) 7.355 16.682 ( -7.128 -1.081 1.453) 7.355 16.890 ( -1.350 -1.371 -3.978) 4.419 16.890 ( -1.350 -1.371 3.978) 4.419 16.947 ( -5.212 0.131 -2.857) 5.945 16.947 ( -5.212 0.131 2.857) 5.945 17.244 ( 1.500 3.928 -2.722) 5.009 17.244 ( 1.500 3.928 2.722) 5.009 17.507 ( -3.480 -0.748 -5.131) 6.244 17.507 ( -3.480 -0.748 5.131) 6.244 17.621 ( 0.259 3.691 -1.195) 3.888 17.621 ( 0.259 3.691 1.195) 3.888 17.794 ( 3.580 1.626 -2.930) 4.904 17.794 ( 3.580 1.626 2.930) 4.904 18.526 ( 6.058 3.090 -2.101) 7.118 18.526 ( 6.058 3.090 2.101) 7.118 19.076 ( 2.918 -4.276 -2.475) 5.738 19.076 ( 2.918 -4.276 2.475) 5.738 19.764 ( 0.945 2.267 -2.929) 3.822 19.764 ( 0.945 2.267 2.929) 3.822 20.264 ( -6.703 -6.508 -14.427) 17.188 20.264 ( -6.703 -6.508 14.427) 17.188 107.913 ( -0.282 0.378 -0.126) 0.488 107.913 ( -0.282 0.378 0.126) 0.488 107.947 ( 0.303 -0.077 -0.028) 0.314 107.947 ( 0.303 -0.077 0.028) 0.314 107.981 ( 0.615 0.009 -0.321) 0.694 107.981 ( 0.615 0.009 0.321) 0.694 108.011 ( 0.167 -0.222 -0.304) 0.412 108.011 ( 0.167 -0.222 0.304) 0.412 ======================= Grid point 150 (49/60) ======================= q-point: ( 0.38 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( 2.807 6.154 -2.252) 7.129 1.367 ( 2.807 6.154 2.252) 7.129 1.698 ( 8.861 6.996 -2.935) 11.665 1.698 ( 8.861 6.996 2.935) 11.665 1.823 ( 9.420 12.990 -1.092) 16.083 1.823 ( 9.420 12.990 1.092) 16.083 2.170 ( -10.420 -4.697 -2.233) 11.646 2.170 ( -10.420 -4.697 2.233) 11.646 2.272 ( -3.706 0.455 -6.152) 7.197 2.272 ( -3.706 0.455 6.152) 7.197 2.472 ( -7.002 -0.285 -3.210) 7.708 2.472 ( -7.002 -0.285 3.210) 7.708 2.816 ( 4.438 5.131 -1.093) 6.872 2.816 ( 4.438 5.131 1.093) 6.872 2.882 ( 4.010 0.666 -4.635) 6.165 2.882 ( 4.010 0.666 4.635) 6.165 3.026 ( 5.126 1.294 -0.907) 5.364 3.026 ( 5.126 1.294 0.907) 5.364 3.195 ( 2.607 -1.708 -2.433) 3.954 3.195 ( 2.607 -1.708 2.433) 3.954 3.239 ( 4.700 2.008 -5.472) 7.488 3.239 ( 4.700 2.008 5.472) 7.488 3.484 ( 2.937 -3.010 -1.592) 4.497 3.484 ( 2.937 -3.010 1.592) 4.497 3.656 ( 6.328 0.607 -4.840) 7.990 3.656 ( 6.328 0.607 4.840) 7.990 3.769 ( 0.008 0.720 -2.851) 2.941 3.769 ( 0.008 0.720 2.851) 2.941 3.793 ( 1.362 1.662 -2.935) 3.637 3.793 ( 1.362 1.662 2.935) 3.637 3.947 ( 7.956 -0.939 -4.740) 9.309 3.947 ( 7.956 -0.939 4.740) 9.309 4.104 ( -4.839 -1.665 -0.592) 5.152 4.104 ( -4.839 -1.665 0.592) 5.152 4.160 ( -0.948 -1.435 -2.919) 3.388 4.160 ( -0.948 -1.435 2.919) 3.388 4.272 ( -3.366 2.586 -1.554) 4.520 4.272 ( -3.366 2.586 1.554) 4.520 4.405 ( 2.682 -0.859 -6.203) 6.812 4.405 ( 2.682 -0.859 6.203) 6.812 4.576 ( -1.389 -5.917 -5.707) 8.338 4.576 ( -1.389 -5.917 5.707) 8.338 4.658 ( 4.040 2.483 -1.803) 5.073 4.658 ( 4.040 2.483 1.803) 5.073 4.837 ( -9.468 -1.422 -4.350) 10.516 4.837 ( -9.468 -1.422 4.350) 10.516 5.005 ( -5.478 1.813 -2.424) 6.259 5.005 ( -5.478 1.813 2.424) 6.259 5.338 ( 0.663 1.838 -4.698) 5.088 5.338 ( 0.663 1.838 4.698) 5.088 5.554 ( 1.472 -1.144 -2.493) 3.113 5.554 ( 1.472 -1.144 2.493) 3.113 5.771 ( -3.722 -0.901 -1.593) 4.148 5.771 ( -3.722 -0.901 1.593) 4.148 5.822 ( -2.303 1.814 -4.232) 5.148 5.822 ( -2.303 1.814 4.232) 5.148 5.885 ( -2.303 -1.948 -2.934) 4.208 5.885 ( -2.303 -1.948 2.934) 4.208 5.970 ( 0.158 0.174 -1.611) 1.629 5.970 ( 0.158 0.174 1.611) 1.629 6.115 ( -6.483 -0.214 -3.589) 7.413 6.115 ( -6.483 -0.214 3.589) 7.413 6.260 ( -3.151 0.020 -3.013) 4.360 6.260 ( -3.151 0.020 3.013) 4.360 6.436 ( 0.550 6.955 -1.578) 7.153 6.436 ( 0.550 6.955 1.578) 7.153 6.649 ( -3.251 0.173 -1.461) 3.568 6.649 ( -3.251 0.173 1.461) 3.568 6.721 ( -0.008 2.169 -2.033) 2.973 6.721 ( -0.008 2.169 2.033) 2.973 6.807 ( -2.905 8.361 -3.469) 9.507 6.807 ( -2.905 8.361 3.469) 9.507 7.083 ( 2.361 -0.110 -0.957) 2.550 7.083 ( 2.361 -0.110 0.957) 2.550 7.212 ( 2.949 4.723 -2.339) 6.040 7.212 ( 2.949 4.723 2.339) 6.040 7.308 ( 1.986 -2.553 -3.572) 4.819 7.308 ( 1.986 -2.553 3.572) 4.819 7.626 ( 2.507 -3.321 -2.340) 4.774 7.626 ( 2.507 -3.321 2.340) 4.774 7.696 ( 2.809 -2.575 -2.750) 4.699 7.696 ( 2.809 -2.575 2.750) 4.699 7.803 ( 1.094 0.491 -2.895) 3.133 7.803 ( 1.094 0.491 2.895) 3.133 7.882 ( 2.190 4.214 -1.806) 5.081 7.882 ( 2.190 4.214 1.806) 5.081 7.959 ( -0.029 6.313 -1.947) 6.606 7.959 ( -0.029 6.313 1.947) 6.606 8.275 ( 8.542 -3.299 -3.250) 9.716 8.275 ( 8.542 -3.299 3.250) 9.716 8.726 ( -8.766 -7.440 -10.711) 15.713 8.726 ( -8.766 -7.440 10.711) 15.713 8.928 ( -1.498 -18.597 -5.483) 19.446 8.928 ( -1.498 -18.597 5.483) 19.446 9.194 ( 1.180 -18.293 -3.178) 18.605 9.194 ( 1.180 -18.293 3.178) 18.605 10.066 ( 10.794 -3.477 -2.465) 11.605 10.066 ( 10.794 -3.477 2.465) 11.605 10.191 ( 10.725 -2.006 -2.618) 11.221 10.191 ( 10.725 -2.006 2.618) 11.221 10.392 ( -4.125 2.139 -5.290) 7.041 10.392 ( -4.125 2.139 5.290) 7.041 10.616 ( -1.509 15.027 -0.869) 15.128 10.616 ( -1.509 15.027 0.869) 15.128 10.751 ( -9.829 -5.769 -7.752) 13.784 10.751 ( -9.829 -5.769 7.752) 13.784 11.085 ( -2.657 15.531 -2.712) 15.988 11.085 ( -2.657 15.531 2.712) 15.988 11.803 ( -0.209 -0.416 -0.714) 0.853 11.803 ( -0.209 -0.416 0.714) 0.853 12.228 ( -0.927 -1.172 -0.892) 1.740 12.228 ( -0.927 -1.172 0.892) 1.740 16.471 ( -1.780 -0.539 -0.512) 1.929 16.471 ( -1.780 -0.539 0.512) 1.929 16.531 ( -5.935 -0.309 -2.764) 6.554 16.531 ( -5.935 -0.309 2.764) 6.554 16.836 ( -3.906 0.401 -2.991) 4.936 16.836 ( -3.906 0.401 2.991) 4.936 16.908 ( 1.223 -1.088 -5.605) 5.840 16.908 ( 1.223 -1.088 5.605) 5.840 17.301 ( 3.112 1.191 -3.498) 4.831 17.301 ( 3.112 1.191 3.498) 4.831 17.419 ( -4.091 0.447 -5.125) 6.573 17.419 ( -4.091 0.447 5.125) 6.573 17.613 ( -0.853 5.115 -2.186) 5.627 17.613 ( -0.853 5.115 2.186) 5.627 17.861 ( 2.355 0.482 -1.691) 2.939 17.861 ( 2.355 0.482 1.691) 2.939 18.632 ( 3.874 2.486 -1.253) 4.770 18.632 ( 3.874 2.486 1.253) 4.770 19.125 ( 1.620 -4.502 -1.037) 4.896 19.125 ( 1.620 -4.502 1.037) 4.896 19.789 ( 1.354 1.525 -1.489) 2.526 19.789 ( 1.354 1.525 1.489) 2.526 20.127 ( -5.720 -4.117 -8.714) 11.207 20.127 ( -5.720 -4.117 8.714) 11.207 107.908 ( -0.146 0.388 -0.073) 0.421 107.908 ( -0.146 0.388 0.073) 0.421 107.952 ( 0.161 -0.221 -0.015) 0.274 107.952 ( 0.161 -0.221 0.015) 0.274 107.992 ( 0.385 0.038 -0.208) 0.439 107.992 ( 0.385 0.038 0.208) 0.439 108.014 ( 0.163 -0.162 -0.193) 0.300 108.014 ( 0.163 -0.162 0.193) 0.300 ======================= Grid point 152 (50/60) ======================= q-point: (-0.50 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( 0.000 4.061 0.000) 4.061 1.394 ( 0.000 4.061 0.000) 4.061 1.863 ( -0.000 3.840 -0.000) 3.840 1.863 ( 0.000 3.840 0.000) 3.840 1.892 ( -0.000 3.483 -0.000) 3.483 1.892 ( 0.000 3.483 -0.000) 3.483 2.090 ( 0.000 7.983 -0.000) 7.983 2.090 ( 0.000 7.983 0.000) 7.983 2.222 ( 0.000 13.066 -0.000) 13.066 2.222 ( -0.000 13.066 0.000) 13.066 2.324 ( 0.000 -8.393 -0.000) 8.393 2.324 ( 0.000 -8.393 0.000) 8.393 2.875 ( 0.000 0.631 0.000) 0.631 2.875 ( 0.000 0.631 0.000) 0.631 2.919 ( 0.000 1.060 -0.000) 1.060 2.919 ( 0.000 1.060 0.000) 1.060 3.096 ( 0.000 -0.380 0.000) 0.380 3.096 ( 0.000 -0.380 0.000) 0.380 3.149 ( -0.000 6.669 -0.000) 6.669 3.149 ( 0.000 6.669 -0.000) 6.669 3.447 ( 0.000 -4.157 -0.000) 4.157 3.447 ( 0.000 -4.157 0.000) 4.157 3.464 ( -0.000 -6.107 -0.000) 6.107 3.464 ( -0.000 -6.107 0.000) 6.107 3.669 ( 0.000 2.321 0.000) 2.321 3.669 ( 0.000 2.321 0.000) 2.321 3.746 ( -0.000 2.265 -0.000) 2.265 3.746 ( 0.000 2.265 0.000) 2.265 3.881 ( 0.000 -1.192 0.000) 1.192 3.881 ( 0.000 -1.192 0.000) 1.192 4.000 ( 0.000 0.022 0.000) 0.022 4.000 ( -0.000 0.022 0.000) 0.022 4.085 ( -0.000 -0.596 -0.000) 0.596 4.085 ( 0.000 -0.596 0.000) 0.596 4.139 ( 0.000 -1.055 -0.000) 1.055 4.139 ( -0.000 -1.055 0.000) 1.055 4.206 ( 0.000 1.629 -0.000) 1.629 4.206 ( -0.000 1.629 0.000) 1.629 4.443 ( 0.000 -2.672 0.000) 2.672 4.443 ( 0.000 -2.672 0.000) 2.672 4.618 ( 0.000 -1.817 -0.000) 1.817 4.618 ( 0.000 -1.817 0.000) 1.817 4.682 ( -0.000 -4.230 -0.000) 4.230 4.682 ( 0.000 -4.230 0.000) 4.230 4.749 ( 0.000 1.775 -0.000) 1.775 4.749 ( 0.000 1.775 0.000) 1.775 4.906 ( 0.000 1.832 0.000) 1.832 4.906 ( 0.000 1.832 0.000) 1.832 5.355 ( 0.000 1.782 -0.000) 1.782 5.355 ( 0.000 1.782 0.000) 1.782 5.590 ( 0.000 -1.722 -0.000) 1.722 5.590 ( 0.000 -1.722 0.000) 1.722 5.747 ( 0.000 -2.328 -0.000) 2.328 5.747 ( 0.000 -2.328 0.000) 2.328 5.755 ( -0.000 -1.363 -0.000) 1.363 5.755 ( -0.000 -1.363 0.000) 1.363 5.869 ( 0.000 4.207 0.000) 4.207 5.869 ( 0.000 4.207 0.000) 4.207 5.947 ( 0.000 2.987 -0.000) 2.987 5.947 ( 0.000 2.987 0.000) 2.987 6.056 ( 0.000 -4.797 -0.000) 4.797 6.056 ( 0.000 -4.797 0.000) 4.797 6.208 ( 0.000 -1.869 -0.000) 1.869 6.208 ( 0.000 -1.869 0.000) 1.869 6.459 ( 0.000 9.000 -0.000) 9.000 6.459 ( 0.000 9.000 0.000) 9.000 6.607 ( 0.000 -0.604 -0.000) 0.604 6.607 ( 0.000 -0.604 0.000) 0.604 6.747 ( -0.000 4.854 -0.000) 4.854 6.747 ( 0.000 4.854 -0.000) 4.854 6.747 ( -0.000 9.269 0.000) 9.269 6.747 ( 0.000 9.269 0.000) 9.269 7.105 ( 0.000 0.519 0.000) 0.519 7.105 ( 0.000 0.519 0.000) 0.519 7.246 ( 0.000 4.611 0.000) 4.611 7.246 ( 0.000 4.611 0.000) 4.611 7.336 ( 0.000 -5.071 0.000) 5.071 7.336 ( 0.000 -5.071 0.000) 5.071 7.675 ( -0.000 -1.598 -0.000) 1.598 7.675 ( 0.000 -1.598 0.000) 1.598 7.688 ( 0.000 -0.051 0.000) 0.051 7.688 ( 0.000 -0.051 0.000) 0.051 7.821 ( 0.000 -4.328 0.000) 4.328 7.821 ( 0.000 -4.328 0.000) 4.328 7.899 ( 0.000 5.031 -0.000) 5.031 7.899 ( 0.000 5.031 0.000) 5.031 7.972 ( 0.000 5.946 -0.000) 5.946 7.972 ( 0.000 5.946 0.000) 5.946 8.415 ( 0.000 -4.446 -0.000) 4.446 8.415 ( 0.000 -4.446 0.000) 4.446 8.578 ( 0.000 -5.153 -0.000) 5.153 8.578 ( 0.000 -5.153 0.000) 5.153 8.915 ( 0.000 -18.413 -0.000) 18.413 8.915 ( 0.000 -18.413 0.000) 18.413 9.211 ( 0.000 -18.560 -0.000) 18.560 9.211 ( 0.000 -18.560 0.000) 18.560 10.201 ( 0.000 -0.677 -0.000) 0.677 10.201 ( 0.000 -0.677 0.000) 0.677 10.312 ( -0.000 -3.435 -0.000) 3.435 10.312 ( -0.000 -3.435 0.000) 3.435 10.448 ( 0.000 -2.808 -0.000) 2.808 10.448 ( 0.000 -2.808 0.000) 2.808 10.489 ( -0.000 0.053 -0.000) 0.053 10.489 ( -0.000 0.053 0.000) 0.053 10.632 ( 0.000 13.712 -0.000) 13.712 10.632 ( 0.000 13.712 0.000) 13.712 11.055 ( 0.000 15.668 0.000) 15.668 11.055 ( 0.000 15.668 0.000) 15.668 11.801 ( 0.000 -0.504 0.000) 0.504 11.801 ( 0.000 -0.504 0.000) 0.504 12.219 ( 0.000 -1.969 0.000) 1.969 12.219 ( 0.000 -1.969 0.000) 1.969 16.450 ( 0.000 -1.096 -0.000) 1.096 16.450 ( 0.000 -1.096 0.000) 1.096 16.468 ( 0.000 -0.592 0.000) 0.592 16.468 ( 0.000 -0.592 0.000) 0.592 16.791 ( 0.000 1.423 0.000) 1.423 16.791 ( 0.000 1.423 0.000) 1.423 16.925 ( 0.000 -1.382 -0.000) 1.382 16.925 ( 0.000 -1.382 0.000) 1.382 17.354 ( 0.000 -0.285 -0.000) 0.285 17.354 ( 0.000 -0.285 0.000) 0.285 17.356 ( -0.000 0.549 -0.000) 0.549 17.356 ( 0.000 0.549 0.000) 0.549 17.600 ( 0.000 6.393 0.000) 6.393 17.600 ( 0.000 6.393 0.000) 6.393 17.886 ( 0.000 0.228 -0.000) 0.228 17.886 ( 0.000 0.228 0.000) 0.228 18.675 ( 0.000 2.174 -0.000) 2.174 18.675 ( 0.000 2.174 0.000) 2.174 19.142 ( 0.000 -4.441 0.000) 4.441 19.142 ( 0.000 -4.441 0.000) 4.441 19.808 ( 0.000 0.978 -0.000) 0.978 19.808 ( 0.000 0.978 0.000) 0.978 20.059 ( 0.000 -3.100 -0.000) 3.100 20.059 ( 0.000 -3.100 0.000) 3.100 107.907 ( 0.000 0.393 0.000) 0.393 107.907 ( 0.000 0.393 0.000) 0.393 107.954 ( 0.000 -0.281 0.000) 0.281 107.954 ( 0.000 -0.281 0.000) 0.281 107.996 ( 0.000 0.077 0.000) 0.077 107.996 ( 0.000 0.077 0.000) 0.077 108.016 ( 0.000 -0.160 0.000) 0.160 108.016 ( 0.000 -0.160 0.000) 0.160 ======================= Grid point 162 (51/60) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( 0.000 7.872 -9.143) 12.065 1.320 ( 0.000 7.872 9.143) 12.065 1.461 ( 0.000 7.037 -4.603) 8.409 1.461 ( 0.000 7.037 4.603) 8.409 1.753 ( 0.000 -4.106 -1.305) 4.309 1.753 ( 0.000 -4.106 1.305) 4.309 2.029 ( 0.000 -11.657 -2.112) 11.846 2.029 ( 0.000 -11.657 2.112) 11.846 2.305 ( 0.000 14.562 -4.659) 15.289 2.305 ( 0.000 14.562 4.659) 15.289 2.322 ( 0.000 6.789 -2.302) 7.168 2.322 ( 0.000 6.789 2.302) 7.168 2.652 ( 0.000 4.495 -14.964) 15.624 2.652 ( 0.000 4.495 14.964) 15.624 2.897 ( 0.000 -2.014 -1.433) 2.472 2.897 ( 0.000 -2.014 1.433) 2.472 2.962 ( 0.000 -6.109 -1.449) 6.278 2.962 ( 0.000 -6.109 1.449) 6.278 3.070 ( 0.000 -4.000 -9.343) 10.163 3.070 ( 0.000 -4.000 9.343) 10.163 3.221 ( 0.000 5.439 -1.810) 5.732 3.221 ( 0.000 5.439 1.810) 5.732 3.338 ( 0.000 1.545 -1.716) 2.309 3.338 ( 0.000 1.545 1.716) 2.309 3.476 ( 0.000 2.793 -4.810) 5.562 3.476 ( 0.000 2.793 4.810) 5.562 3.562 ( 0.000 0.876 -0.861) 1.228 3.562 ( 0.000 0.876 0.861) 1.228 3.744 ( 0.000 3.525 -0.415) 3.549 3.744 ( 0.000 3.525 0.415) 3.549 3.966 ( 0.000 -3.409 -0.782) 3.497 3.966 ( 0.000 -3.409 0.782) 3.497 4.116 ( 0.000 1.705 -1.849) 2.515 4.116 ( 0.000 1.705 1.849) 2.515 4.183 ( 0.000 4.160 -1.674) 4.484 4.183 ( 0.000 4.160 1.674) 4.484 4.269 ( 0.000 -0.315 -4.355) 4.366 4.269 ( 0.000 -0.315 4.355) 4.366 4.428 ( 0.000 -4.045 -7.247) 8.300 4.428 ( 0.000 -4.045 7.247) 8.300 4.847 ( 0.000 5.754 -2.336) 6.210 4.847 ( 0.000 5.754 2.336) 6.210 4.982 ( 0.000 4.336 -2.401) 4.956 4.982 ( 0.000 4.336 2.401) 4.956 5.222 ( 0.000 -3.509 -2.105) 4.092 5.222 ( 0.000 -3.509 2.105) 4.092 5.262 ( 0.000 -3.940 -1.545) 4.232 5.262 ( 0.000 -3.940 1.545) 4.232 5.449 ( 0.000 4.612 -1.017) 4.723 5.449 ( 0.000 4.612 1.017) 4.723 5.686 ( 0.000 0.153 -0.898) 0.911 5.686 ( 0.000 0.153 0.898) 0.911 5.768 ( 0.000 -3.079 -0.703) 3.158 5.768 ( 0.000 -3.079 0.703) 3.158 5.997 ( 0.000 3.953 -5.556) 6.819 5.997 ( 0.000 3.953 5.556) 6.819 6.090 ( 0.000 1.407 -0.785) 1.611 6.090 ( 0.000 1.407 0.785) 1.611 6.110 ( 0.000 -3.163 -0.453) 3.196 6.110 ( 0.000 -3.163 0.453) 3.196 6.136 ( 0.000 2.641 -1.911) 3.260 6.136 ( 0.000 2.641 1.911) 3.260 6.335 ( 0.000 4.880 -1.453) 5.091 6.335 ( 0.000 4.880 1.453) 5.091 6.452 ( 0.000 -2.122 -2.713) 3.444 6.452 ( 0.000 -2.122 2.713) 3.444 6.596 ( 0.000 0.517 -3.457) 3.496 6.596 ( 0.000 0.517 3.457) 3.496 6.666 ( 0.000 -2.538 -2.096) 3.291 6.666 ( 0.000 -2.538 2.096) 3.291 6.814 ( 0.000 -1.337 -0.693) 1.506 6.814 ( 0.000 -1.337 0.693) 1.506 6.956 ( 0.000 0.189 -2.575) 2.582 6.956 ( 0.000 0.189 2.575) 2.582 7.315 ( 0.000 5.169 -4.305) 6.727 7.315 ( 0.000 5.169 4.305) 6.727 7.421 ( 0.000 10.607 -0.168) 10.608 7.421 ( 0.000 10.607 0.168) 10.608 7.463 ( 0.000 3.078 -2.742) 4.122 7.463 ( 0.000 3.078 2.742) 4.122 7.571 ( 0.000 -0.803 -1.499) 1.700 7.571 ( 0.000 -0.803 1.499) 1.700 7.749 ( 0.000 5.051 -1.718) 5.335 7.749 ( 0.000 5.051 1.718) 5.335 7.828 ( 0.000 0.126 -1.050) 1.057 7.828 ( 0.000 0.126 1.050) 1.057 7.899 ( 0.000 3.692 -0.701) 3.758 7.899 ( 0.000 3.692 0.701) 3.758 8.018 ( 0.000 0.125 -0.653) 0.665 8.018 ( 0.000 0.125 0.653) 0.665 8.411 ( 0.000 -23.856 -0.444) 23.860 8.411 ( 0.000 -23.856 0.444) 23.860 8.761 ( 0.000 -22.882 -8.552) 24.428 8.761 ( 0.000 -22.882 8.552) 24.428 8.875 ( 0.000 -3.945 -3.980) 5.604 8.875 ( 0.000 -3.945 3.980) 5.604 9.526 ( 0.000 -1.673 -2.514) 3.020 9.526 ( 0.000 -1.673 2.514) 3.020 9.926 ( 0.000 -9.364 -9.023) 13.004 9.926 ( 0.000 -9.364 9.023) 13.004 10.636 ( 0.000 1.019 -0.659) 1.214 10.636 ( 0.000 1.019 0.659) 1.214 10.755 ( 0.000 -3.634 -2.914) 4.658 10.755 ( 0.000 -3.634 2.914) 4.658 10.935 ( 0.000 17.068 -2.422) 17.239 10.935 ( 0.000 17.068 2.422) 17.239 11.387 ( 0.000 -0.610 -1.362) 1.493 11.387 ( 0.000 -0.610 1.362) 1.493 11.910 ( 0.000 10.905 -4.868) 11.942 11.910 ( 0.000 10.905 4.868) 11.942 12.347 ( 0.000 -4.856 -7.585) 9.006 12.347 ( 0.000 -4.856 7.585) 9.006 16.655 ( 0.000 1.403 -1.049) 1.752 16.655 ( 0.000 1.403 1.049) 1.752 16.742 ( 0.000 -1.947 -0.721) 2.076 16.742 ( 0.000 -1.947 0.721) 2.076 17.006 ( 0.000 2.676 -0.997) 2.856 17.006 ( 0.000 2.676 0.997) 2.856 17.263 ( 0.000 0.596 -2.945) 3.005 17.263 ( 0.000 0.596 2.945) 3.005 17.338 ( 0.000 1.338 -1.245) 1.828 17.338 ( 0.000 1.338 1.245) 1.828 17.397 ( 0.000 -4.159 -1.483) 4.415 17.397 ( 0.000 -4.159 1.483) 4.415 17.590 ( 0.000 3.951 -0.092) 3.952 17.590 ( 0.000 3.951 0.092) 3.952 17.901 ( 0.000 4.144 -0.503) 4.175 17.901 ( 0.000 4.144 0.503) 4.175 18.391 ( 0.000 5.727 -0.531) 5.751 18.391 ( 0.000 5.727 0.531) 5.751 18.924 ( 0.000 -4.090 -3.780) 5.569 18.924 ( 0.000 -4.090 3.780) 5.569 19.811 ( 0.000 4.958 -3.835) 6.268 19.811 ( 0.000 4.958 3.835) 6.268 20.202 ( 0.000 -11.499 -6.188) 13.059 20.202 ( 0.000 -11.499 6.188) 13.059 107.931 ( 0.000 0.167 -0.028) 0.170 107.931 ( 0.000 0.167 0.028) 0.170 107.937 ( 0.000 0.122 -0.019) 0.124 107.937 ( 0.000 0.122 0.019) 0.124 107.967 ( 0.000 0.318 -0.101) 0.334 107.967 ( 0.000 0.318 0.101) 0.334 107.999 ( 0.000 -0.462 -0.276) 0.538 107.999 ( 0.000 -0.462 0.276) 0.538 ======================= Grid point 164 (52/60) ======================= q-point: ( 0.12 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( 4.206 10.291 -12.782) 16.941 1.356 ( 4.206 10.291 12.782) 16.941 1.548 ( 5.759 3.603 -2.912) 7.392 1.548 ( 5.759 3.603 2.912) 7.392 1.866 ( 8.736 3.385 -3.446) 9.982 1.866 ( 8.736 3.385 3.446) 9.982 2.025 ( 0.565 -10.017 -6.065) 11.723 2.025 ( 0.565 -10.017 6.065) 11.723 2.310 ( 0.735 2.589 -6.120) 6.686 2.310 ( 0.735 2.589 6.120) 6.686 2.382 ( 6.230 10.363 -5.809) 13.414 2.382 ( 6.230 10.363 5.809) 13.414 2.653 ( -1.416 -0.647 -10.736) 10.848 2.653 ( -1.416 -0.647 10.736) 10.848 2.901 ( -0.420 -2.962 -3.076) 4.291 2.901 ( -0.420 -2.962 3.076) 4.291 2.950 ( -1.745 -0.781 -3.395) 3.896 2.950 ( -1.745 -0.781 3.395) 3.896 3.090 ( 3.440 3.947 -2.113) 5.646 3.090 ( 3.440 3.947 2.113) 5.646 3.214 ( 1.468 0.353 -5.443) 5.648 3.214 ( 1.468 0.353 5.443) 5.648 3.367 ( 1.751 -1.010 -3.370) 3.929 3.367 ( 1.751 -1.010 3.370) 3.929 3.479 ( 0.639 5.479 -7.093) 8.986 3.479 ( 0.639 5.479 7.093) 8.986 3.598 ( 3.201 -1.302 -1.301) 3.693 3.598 ( 3.201 -1.302 1.301) 3.693 3.762 ( 1.763 4.234 -0.819) 4.659 3.762 ( 1.763 4.234 0.819) 4.659 3.950 ( -1.679 -1.279 -2.223) 3.066 3.950 ( -1.679 -1.279 2.223) 3.066 4.092 ( -2.315 1.675 -2.045) 3.514 4.092 ( -2.315 1.675 2.045) 3.514 4.176 ( 0.221 0.962 -1.684) 1.952 4.176 ( 0.221 0.962 1.684) 1.952 4.288 ( 1.427 0.157 -4.172) 4.412 4.288 ( 1.427 0.157 4.172) 4.412 4.411 ( -1.426 -3.361 -5.278) 6.418 4.411 ( -1.426 -3.361 5.278) 6.418 4.785 ( -5.783 3.387 -2.806) 7.266 4.785 ( -5.783 3.387 2.806) 7.266 4.877 ( -8.646 3.189 -3.323) 9.797 4.877 ( -8.646 3.189 3.323) 9.797 5.167 ( -4.799 -1.577 -2.045) 5.450 5.167 ( -4.799 -1.577 2.045) 5.450 5.214 ( -4.004 -2.070 -2.788) 5.300 5.214 ( -4.004 -2.070 2.788) 5.300 5.421 ( -1.960 3.676 -0.742) 4.232 5.421 ( -1.960 3.676 0.742) 4.232 5.637 ( -4.319 -0.301 -1.928) 4.740 5.637 ( -4.319 -0.301 1.928) 4.740 5.747 ( -0.427 -3.379 -1.180) 3.605 5.747 ( -0.427 -3.379 1.180) 3.605 5.964 ( -1.984 3.927 -3.701) 5.749 5.964 ( -1.984 3.927 3.701) 5.749 6.078 ( -3.356 0.565 -3.088) 4.595 6.078 ( -3.356 0.565 3.088) 4.595 6.086 ( -1.834 1.152 -5.982) 6.362 6.086 ( -1.834 1.152 5.982) 6.362 6.200 ( 3.148 -0.005 -2.547) 4.050 6.200 ( 3.148 -0.005 2.547) 4.050 6.411 ( 4.876 3.135 -0.439) 5.814 6.411 ( 4.876 3.135 0.439) 5.814 6.443 ( -1.922 -0.164 -3.965) 4.410 6.443 ( -1.922 -0.164 3.965) 4.410 6.623 ( 4.722 -0.521 -2.863) 5.547 6.623 ( 4.722 -0.521 2.863) 5.547 6.668 ( 1.047 -0.411 -2.247) 2.513 6.668 ( 1.047 -0.411 2.247) 2.513 6.845 ( 1.987 -3.832 -1.020) 4.436 6.845 ( 1.987 -3.832 1.020) 4.436 6.977 ( 2.174 1.935 -4.205) 5.114 6.977 ( 2.174 1.935 4.205) 5.114 7.290 ( -4.214 4.187 -3.033) 6.670 7.290 ( -4.214 4.187 3.033) 6.670 7.400 ( -1.525 0.049 -0.615) 1.645 7.400 ( -1.525 0.049 0.615) 1.645 7.476 ( 2.728 11.455 -0.952) 11.814 7.476 ( 2.728 11.455 0.952) 11.814 7.570 ( 0.256 3.342 -7.490) 8.206 7.570 ( 0.256 3.342 7.490) 8.206 7.764 ( 1.547 1.063 -5.341) 5.661 7.764 ( 1.547 1.063 5.341) 5.661 7.818 ( 2.333 3.598 -2.810) 5.127 7.818 ( 2.333 3.598 2.810) 5.127 7.959 ( 3.010 0.171 -4.977) 5.819 7.959 ( 3.010 0.171 4.977) 5.819 8.075 ( 4.011 3.161 -4.928) 7.096 8.075 ( 4.011 3.161 4.928) 7.096 8.415 ( 0.483 -23.581 -2.159) 23.684 8.415 ( 0.483 -23.581 2.159) 23.684 8.755 ( -0.581 -22.559 -5.115) 23.139 8.755 ( -0.581 -22.559 5.115) 23.139 8.885 ( -0.437 -6.856 -2.155) 7.200 8.885 ( -0.437 -6.856 2.155) 7.200 9.574 ( 5.213 -1.549 -1.196) 5.569 9.574 ( 5.213 -1.549 1.196) 5.569 9.925 ( 0.899 -5.933 -5.969) 8.464 9.925 ( 0.899 -5.933 5.969) 8.464 10.614 ( -2.198 1.629 -2.327) 3.592 10.614 ( -2.198 1.629 2.327) 3.592 10.762 ( 0.337 -5.240 -4.266) 6.765 10.762 ( 0.337 -5.240 4.266) 6.765 10.941 ( 0.360 16.924 -2.011) 17.047 10.941 ( 0.360 16.924 2.011) 17.047 11.378 ( -0.873 0.202 -1.424) 1.683 11.378 ( -0.873 0.202 1.424) 1.683 11.895 ( -1.340 9.911 -4.469) 10.954 11.895 ( -1.340 9.911 4.469) 10.954 12.308 ( -3.305 -4.630 -6.435) 8.589 12.308 ( -3.305 -4.630 6.435) 8.589 16.632 ( -2.334 2.155 -1.346) 3.450 16.632 ( -2.334 2.155 1.346) 3.450 16.729 ( -1.471 -2.286 -3.192) 4.193 16.729 ( -1.471 -2.286 3.192) 4.193 16.950 ( -4.799 0.585 -0.646) 4.878 16.950 ( -4.799 0.585 0.646) 4.878 17.106 ( -8.967 0.873 -4.397) 10.026 17.106 ( -8.967 0.873 4.397) 10.026 17.331 ( -1.940 1.835 -1.808) 3.225 17.331 ( -1.940 1.835 1.808) 3.225 17.468 ( 3.709 -2.133 -1.457) 4.520 17.468 ( 3.709 -2.133 1.457) 4.520 17.643 ( 3.601 2.715 -2.052) 4.955 17.643 ( 3.601 2.715 2.052) 4.955 17.850 ( -2.927 4.004 -1.307) 5.129 17.850 ( -2.927 4.004 1.307) 5.129 18.480 ( 6.680 5.714 -1.588) 8.932 18.480 ( 6.680 5.714 1.588) 8.932 18.932 ( 0.876 -5.176 -3.258) 6.178 18.932 ( 0.876 -5.176 3.258) 6.178 19.820 ( 0.656 5.053 -4.332) 6.688 19.820 ( 0.656 5.053 4.332) 6.688 20.180 ( -2.157 -10.738 -9.708) 14.636 20.180 ( -2.157 -10.738 9.708) 14.636 107.927 ( -0.255 0.377 -0.077) 0.462 107.927 ( -0.255 0.377 0.077) 0.462 107.940 ( 0.174 -0.103 -0.028) 0.204 107.940 ( 0.174 -0.103 0.028) 0.204 107.972 ( 0.434 0.232 -0.197) 0.530 107.972 ( 0.434 0.232 0.197) 0.530 108.001 ( 0.169 -0.384 -0.251) 0.489 108.001 ( 0.169 -0.384 0.251) 0.489 ======================= Grid point 166 (53/60) ======================= q-point: ( 0.25 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( 5.470 11.975 -11.203) 17.286 1.473 ( 5.470 11.975 11.203) 17.286 1.651 ( 4.586 0.597 -2.864) 5.440 1.651 ( 4.586 0.597 2.864) 5.440 1.978 ( 2.468 9.137 -4.444) 10.456 1.978 ( 2.468 9.137 4.444) 10.456 2.084 ( 3.167 -2.939 -5.207) 6.766 2.084 ( 3.167 -2.939 5.207) 6.766 2.391 ( 2.862 -1.680 -2.894) 4.404 2.391 ( 2.862 -1.680 2.894) 4.404 2.511 ( -0.355 -2.300 -4.590) 5.146 2.511 ( -0.355 -2.300 4.590) 5.146 2.598 ( 6.469 2.976 -1.306) 7.240 2.598 ( 6.469 2.976 1.306) 7.240 2.857 ( -0.920 -5.343 -1.494) 5.624 2.857 ( -0.920 -5.343 1.494) 5.624 2.981 ( 2.849 4.768 -4.656) 7.248 2.981 ( 2.849 4.768 4.656) 7.248 3.164 ( 1.963 4.188 -1.393) 4.830 3.164 ( 1.963 4.188 1.393) 4.830 3.283 ( 2.851 -0.573 -4.492) 5.352 3.283 ( 2.851 -0.573 4.492) 5.352 3.418 ( 3.534 -1.519 -4.522) 5.936 3.418 ( 3.534 -1.519 4.522) 5.936 3.517 ( 4.195 6.951 -5.352) 9.724 3.517 ( 4.195 6.951 5.352) 9.724 3.689 ( 5.469 -1.622 -2.834) 6.370 3.689 ( 5.469 -1.622 2.834) 6.370 3.816 ( 3.218 3.903 -2.096) 5.476 3.816 ( 3.218 3.903 2.096) 5.476 3.907 ( -1.660 2.421 -4.342) 5.241 3.907 ( -1.660 2.421 4.342) 5.241 4.065 ( -0.162 -2.536 -4.267) 4.966 4.065 ( -0.162 -2.536 4.267) 4.966 4.178 ( -0.505 -0.789 -0.338) 0.996 4.178 ( -0.505 -0.789 0.338) 0.996 4.321 ( 1.519 -0.829 -4.266) 4.604 4.321 ( 1.519 -0.829 4.266) 4.604 4.374 ( -1.685 -0.933 -1.844) 2.666 4.374 ( -1.685 -0.933 1.844) 2.666 4.603 ( -10.480 -2.386 -0.496) 10.760 4.603 ( -10.480 -2.386 0.496) 10.760 4.726 ( -4.452 3.647 -1.756) 6.017 4.726 ( -4.452 3.647 1.756) 6.017 5.016 ( -9.218 -1.262 -1.157) 9.376 5.016 ( -9.218 -1.262 1.157) 9.376 5.126 ( -4.477 -0.277 -2.823) 5.300 5.126 ( -4.477 -0.277 2.823) 5.300 5.388 ( -1.042 2.607 -0.906) 2.950 5.388 ( -1.042 2.607 0.906) 2.950 5.551 ( -3.047 -0.926 -1.226) 3.412 5.551 ( -3.047 -0.926 1.226) 3.412 5.765 ( 1.946 -2.155 -3.018) 4.188 5.765 ( 1.946 -2.155 3.018) 4.188 5.911 ( -3.792 3.290 -3.954) 6.390 5.911 ( -3.792 3.290 3.954) 6.390 5.988 ( -4.559 2.696 -5.225) 7.440 5.988 ( -4.559 2.696 5.225) 7.440 6.023 ( -3.902 0.575 -2.757) 4.812 6.023 ( -3.902 0.575 2.757) 4.812 6.183 ( -3.207 -3.613 -3.164) 5.775 6.183 ( -3.207 -3.613 3.164) 5.775 6.388 ( -3.625 2.218 -5.671) 7.087 6.388 ( -3.625 2.218 5.671) 7.087 6.488 ( 2.233 3.671 -1.605) 4.587 6.488 ( 2.233 3.671 1.605) 4.587 6.666 ( -0.458 -2.886 -3.414) 4.494 6.666 ( -0.458 -2.886 3.414) 4.494 6.758 ( 4.138 2.534 -3.113) 5.765 6.758 ( 4.138 2.534 3.113) 5.765 6.899 ( 3.347 0.142 -2.409) 4.126 6.899 ( 3.347 0.142 2.409) 4.126 7.040 ( 2.644 2.642 -1.643) 4.083 7.040 ( 2.644 2.642 1.643) 4.083 7.177 ( -2.190 -1.695 -2.558) 3.769 7.177 ( -2.190 -1.695 2.558) 3.769 7.418 ( 0.234 4.705 -3.620) 5.941 7.418 ( 0.234 4.705 3.620) 5.941 7.505 ( 1.185 5.476 -6.103) 8.285 7.505 ( 1.185 5.476 6.103) 8.285 7.617 ( 4.029 4.514 -3.400) 6.941 7.617 ( 4.029 4.514 3.400) 6.941 7.816 ( 2.688 1.597 -4.883) 5.798 7.816 ( 2.688 1.597 4.883) 5.798 7.896 ( 4.145 4.637 -2.447) 6.683 7.896 ( 4.145 4.637 2.447) 6.683 8.038 ( 4.637 -1.534 -6.337) 8.001 8.038 ( 4.637 -1.534 6.337) 8.001 8.131 ( 1.371 5.819 -4.786) 7.658 8.131 ( 1.371 5.819 4.786) 7.658 8.431 ( 0.957 -23.121 -4.289) 23.535 8.431 ( 0.957 -23.121 4.289) 23.535 8.741 ( -1.492 -19.160 -2.022) 19.324 8.741 ( -1.492 -19.160 2.022) 19.324 8.818 ( -4.697 -12.632 -5.728) 14.644 8.818 ( -4.697 -12.632 5.728) 14.644 9.761 ( 12.139 -1.099 -0.875) 12.220 9.761 ( 12.139 -1.099 0.875) 12.220 9.992 ( 5.504 -2.258 -1.986) 6.272 9.992 ( 5.504 -2.258 1.986) 6.272 10.543 ( -4.602 2.435 -3.842) 6.471 10.543 ( -4.602 2.435 3.842) 6.471 10.740 ( -3.182 -7.448 -5.985) 10.070 10.740 ( -3.182 -7.448 5.985) 10.070 10.947 ( 0.326 17.512 -0.915) 17.539 10.947 ( 0.326 17.512 0.915) 17.539 11.349 ( -1.944 2.303 -1.605) 3.415 11.349 ( -1.944 2.303 1.605) 3.415 11.863 ( -1.511 7.636 -3.312) 8.460 11.863 ( -1.511 7.636 3.312) 8.460 12.230 ( -3.707 -4.820 -4.139) 7.355 12.230 ( -3.707 -4.820 4.139) 7.355 16.557 ( -4.510 2.152 -0.509) 5.022 16.557 ( -4.510 2.152 0.509) 5.022 16.652 ( -6.119 -2.012 -0.836) 6.495 16.652 ( -6.119 -2.012 0.836) 6.495 16.873 ( -1.389 -0.432 -2.750) 3.111 16.873 ( -1.389 -0.432 2.750) 3.111 16.943 ( -6.098 -0.333 -1.757) 6.354 16.943 ( -6.098 -0.333 1.757) 6.354 17.313 ( 0.113 2.941 -2.812) 4.071 17.313 ( 0.113 2.941 2.812) 4.071 17.482 ( -2.034 -1.653 -4.162) 4.918 17.482 ( -2.034 -1.653 4.162) 4.918 17.703 ( 1.901 3.706 -0.525) 4.198 17.703 ( 1.901 3.706 0.525) 4.198 17.833 ( 1.208 2.261 -1.585) 3.014 17.833 ( 1.208 2.261 1.585) 3.014 18.614 ( 5.630 5.913 -1.403) 8.284 18.614 ( 5.630 5.913 1.403) 8.284 18.964 ( 2.105 -6.993 -1.744) 7.508 18.964 ( 2.105 -6.993 1.744) 7.508 19.830 ( 0.273 4.664 -4.351) 6.384 19.830 ( 0.273 4.664 4.351) 6.384 20.113 ( -4.000 -8.536 -10.591) 14.179 20.113 ( -4.000 -8.536 10.591) 14.179 107.922 ( -0.223 0.562 -0.090) 0.611 107.922 ( -0.223 0.562 0.090) 0.611 107.943 ( 0.115 -0.374 -0.027) 0.392 107.943 ( 0.115 -0.374 0.027) 0.392 107.983 ( 0.597 0.154 -0.233) 0.659 107.983 ( 0.597 0.154 0.233) 0.659 108.006 ( 0.260 -0.266 -0.214) 0.429 108.006 ( 0.260 -0.266 0.214) 0.429 ======================= Grid point 168 (54/60) ======================= q-point: ( 0.38 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( 1.276 11.806 -4.465) 12.686 1.541 ( 1.276 11.806 4.465) 12.686 1.759 ( 5.716 1.309 -1.277) 6.002 1.759 ( 5.716 1.309 1.277) 6.002 2.023 ( -0.140 -8.733 -2.911) 9.206 2.023 ( -0.140 -8.733 2.911) 9.206 2.105 ( -1.199 5.742 -0.997) 5.950 2.105 ( -1.199 5.742 0.997) 5.950 2.307 ( -1.870 8.321 -3.685) 9.291 2.307 ( -1.870 8.321 3.685) 9.291 2.540 ( 1.222 5.621 -2.811) 6.403 2.540 ( 1.222 5.621 2.811) 6.403 2.789 ( 3.963 -4.924 -5.270) 8.229 2.789 ( 3.963 -4.924 5.270) 8.229 2.918 ( 4.501 -1.584 -4.010) 6.233 2.918 ( 4.501 -1.584 4.010) 6.233 3.012 ( 2.413 -0.642 -4.893) 5.494 3.012 ( 2.413 -0.642 4.893) 5.494 3.185 ( 1.452 2.986 -1.168) 3.520 3.185 ( 1.452 2.986 1.168) 3.520 3.311 ( 1.484 -0.107 -6.054) 6.234 3.311 ( 1.484 -0.107 6.054) 6.234 3.497 ( 3.884 5.883 -3.807) 8.012 3.497 ( 3.884 5.883 3.807) 8.012 3.646 ( 4.833 -0.775 -3.975) 6.305 3.646 ( 4.833 -0.775 3.975) 6.305 3.799 ( 3.291 -0.707 -3.769) 5.054 3.799 ( 3.291 -0.707 3.769) 5.054 3.827 ( -1.720 4.860 -2.015) 5.535 3.827 ( -1.720 4.860 2.015) 5.535 3.953 ( 6.345 1.206 -2.050) 6.776 3.953 ( 6.345 1.206 2.050) 6.776 4.041 ( -2.989 -3.479 -0.352) 4.600 4.041 ( -2.989 -3.479 0.352) 4.600 4.163 ( 0.186 0.094 -1.429) 1.444 4.163 ( 0.186 0.094 1.429) 1.444 4.293 ( -5.225 -0.744 -1.903) 5.611 4.293 ( -5.225 -0.744 1.903) 5.611 4.386 ( -0.809 -0.672 -2.866) 3.053 4.386 ( -0.809 -0.672 2.866) 3.053 4.454 ( 1.757 -5.613 -2.878) 6.548 4.454 ( 1.757 -5.613 2.878) 6.548 4.708 ( 2.613 1.810 -0.430) 3.208 4.708 ( 2.613 1.810 0.430) 3.208 4.811 ( -9.820 -0.582 -1.958) 10.031 4.811 ( -9.820 -0.582 1.958) 10.031 5.016 ( -6.020 -0.891 -2.876) 6.731 5.016 ( -6.020 -0.891 2.876) 6.731 5.386 ( 0.875 2.885 -3.936) 4.958 5.386 ( 0.875 2.885 3.936) 4.958 5.524 ( 0.404 -1.886 -2.596) 3.234 5.524 ( 0.404 -1.886 2.596) 3.234 5.770 ( -4.310 1.127 -3.924) 5.937 5.770 ( -4.310 1.127 3.924) 5.937 5.841 ( -3.542 0.247 -5.811) 6.810 5.841 ( -3.542 0.247 5.811) 6.810 5.876 ( -0.702 -0.145 -4.080) 4.142 5.876 ( -0.702 -0.145 4.080) 4.142 5.988 ( 0.386 2.566 -3.767) 4.574 5.988 ( 0.386 2.566 3.767) 4.574 6.120 ( -3.592 -0.227 -2.164) 4.200 6.120 ( -3.592 -0.227 2.164) 4.200 6.263 ( -7.050 0.712 -3.623) 7.958 6.263 ( -7.050 0.712 3.623) 7.958 6.513 ( 0.573 0.961 -3.439) 3.616 6.513 ( 0.573 0.961 3.439) 3.616 6.618 ( -3.601 -2.925 -1.643) 4.922 6.618 ( -3.601 -2.925 1.643) 4.922 6.829 ( 3.938 8.080 -0.904) 9.034 6.829 ( 3.938 8.080 0.904) 9.034 6.956 ( 1.185 5.631 -4.553) 7.338 6.956 ( 1.185 5.631 4.553) 7.338 7.084 ( 2.477 -0.033 -1.098) 2.710 7.084 ( 2.477 -0.033 1.098) 2.710 7.199 ( 1.389 -5.026 -1.595) 5.453 7.199 ( 1.389 -5.026 1.595) 5.453 7.396 ( -1.497 8.897 -2.511) 9.365 7.396 ( -1.497 8.897 2.511) 9.365 7.551 ( 3.052 -2.555 -4.632) 6.107 7.551 ( 3.052 -2.555 4.632) 6.107 7.703 ( 3.407 5.003 -1.589) 6.258 7.703 ( 3.407 5.003 1.589) 6.258 7.836 ( -1.228 3.275 -3.086) 4.664 7.836 ( -1.228 3.275 3.086) 4.664 7.968 ( 2.522 3.293 -0.596) 4.190 7.968 ( 2.522 3.293 0.596) 4.190 8.107 ( 0.959 8.041 -1.632) 8.261 8.107 ( 0.959 8.041 1.632) 8.261 8.198 ( 6.309 -3.245 -5.982) 9.280 8.198 ( 6.309 -3.245 5.982) 9.280 8.446 ( -0.053 -20.639 -5.623) 21.391 8.446 ( -0.053 -20.639 5.623) 21.391 8.632 ( -6.420 -10.732 -9.219) 15.536 8.632 ( -6.420 -10.732 9.219) 15.536 8.793 ( 0.717 -21.209 -2.798) 21.405 8.793 ( 0.717 -21.209 2.798) 21.405 10.033 ( 12.547 -0.386 -1.847) 12.688 10.033 ( 12.547 -0.386 1.847) 12.688 10.150 ( 9.797 -2.042 -1.904) 10.187 10.150 ( 9.797 -2.042 1.904) 10.187 10.424 ( -6.760 2.356 -4.219) 8.309 10.424 ( -6.760 2.356 4.219) 8.309 10.617 ( -8.557 -6.789 -6.057) 12.490 10.617 ( -8.557 -6.789 6.057) 12.490 10.955 ( 0.379 17.298 -0.719) 17.317 10.955 ( 0.379 17.298 0.719) 17.317 11.305 ( -1.860 4.435 -1.361) 4.998 11.305 ( -1.860 4.435 1.361) 4.998 11.838 ( -0.832 5.701 -1.698) 6.006 11.838 ( -0.832 5.701 1.698) 6.006 12.167 ( -2.130 -5.660 -1.942) 6.352 12.167 ( -2.130 -5.660 1.942) 6.352 16.469 ( -3.356 0.341 -0.697) 3.445 16.469 ( -3.356 0.341 0.697) 3.445 16.518 ( -5.558 -0.947 -2.085) 6.012 16.518 ( -5.558 -0.947 2.085) 6.012 16.846 ( -2.205 0.680 -0.621) 2.390 16.846 ( -2.205 0.680 0.621) 2.390 16.884 ( 0.467 -1.277 -4.514) 4.714 16.884 ( 0.467 -1.277 4.514) 4.714 17.327 ( 1.091 1.334 -1.788) 2.484 17.327 ( 1.091 1.334 1.788) 2.484 17.418 ( -3.332 -0.484 -4.135) 5.333 17.418 ( -3.332 -0.484 4.135) 5.333 17.729 ( 0.743 5.931 -1.418) 6.144 17.729 ( 0.743 5.931 1.418) 6.144 17.867 ( 1.432 0.038 -1.492) 2.069 17.867 ( 1.432 0.038 1.492) 2.069 18.708 ( 3.305 5.560 -0.606) 6.497 18.708 ( 3.305 5.560 0.606) 6.497 19.007 ( 1.621 -7.638 -0.605) 7.832 19.007 ( 1.621 -7.638 0.605) 7.832 19.835 ( 0.270 3.369 -2.509) 4.209 19.835 ( 0.270 3.369 2.509) 4.209 20.028 ( -3.691 -5.872 -6.579) 9.560 20.028 ( -3.691 -5.872 6.579) 9.560 107.918 ( -0.119 0.651 -0.058) 0.665 107.918 ( -0.119 0.651 0.058) 0.665 107.945 ( 0.045 -0.559 -0.018) 0.561 107.945 ( 0.045 -0.559 0.018) 0.561 107.994 ( 0.449 0.194 -0.174) 0.520 107.994 ( 0.449 0.194 0.174) 0.520 108.010 ( 0.160 -0.247 -0.159) 0.335 108.010 ( 0.160 -0.247 0.159) 0.335 ======================= Grid point 170 (55/60) ======================= q-point: (-0.50 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( 0.000 11.581 0.000) 11.581 1.550 ( 0.000 11.581 0.000) 11.581 1.891 ( -0.000 -0.883 -0.000) 0.883 1.891 ( 0.000 -0.883 -0.000) 0.883 1.907 ( -0.000 0.295 0.000) 0.295 1.907 ( 0.000 0.295 0.000) 0.295 2.111 ( -0.000 -11.205 0.000) 11.205 2.111 ( 0.000 -11.205 0.000) 11.205 2.337 ( 0.000 13.644 0.000) 13.644 2.337 ( 0.000 13.644 0.000) 13.644 2.532 ( 0.000 14.074 0.000) 14.074 2.532 ( 0.000 14.074 0.000) 14.074 2.837 ( 0.000 -2.837 -0.000) 2.837 2.837 ( 0.000 -2.837 0.000) 2.837 2.890 ( -0.000 -2.465 -0.000) 2.465 2.890 ( 0.000 -2.465 0.000) 2.465 3.104 ( 0.000 -1.149 0.000) 1.149 3.104 ( 0.000 -1.149 0.000) 1.149 3.190 ( -0.000 -3.823 0.000) 3.823 3.190 ( 0.000 -3.823 0.000) 3.823 3.382 ( 0.000 0.700 0.000) 0.700 3.382 ( 0.000 0.700 0.000) 0.700 3.539 ( 0.000 11.241 0.000) 11.241 3.539 ( 0.000 11.241 0.000) 11.241 3.645 ( 0.000 -3.590 0.000) 3.590 3.645 ( 0.000 -3.590 0.000) 3.590 3.798 ( 0.000 1.822 -0.000) 1.822 3.798 ( 0.000 1.822 0.000) 1.822 3.875 ( 0.000 0.871 0.000) 0.871 3.875 ( 0.000 0.871 0.000) 0.871 3.966 ( 0.000 -2.978 -0.000) 2.978 3.966 ( 0.000 -2.978 0.000) 2.978 4.081 ( 0.000 0.578 -0.000) 0.578 4.081 ( 0.000 0.578 0.000) 0.578 4.151 ( 0.000 2.546 -0.000) 2.546 4.151 ( -0.000 2.546 0.000) 2.546 4.203 ( 0.000 -2.491 0.000) 2.491 4.203 ( 0.000 -2.491 0.000) 2.491 4.360 ( 0.000 -5.910 0.000) 5.910 4.360 ( 0.000 -5.910 0.000) 5.910 4.592 ( 0.000 -0.774 -0.000) 0.774 4.592 ( 0.000 -0.774 0.000) 0.774 4.612 ( -0.000 -2.523 -0.000) 2.523 4.612 ( 0.000 -2.523 0.000) 2.523 4.792 ( 0.000 2.844 0.000) 2.844 4.792 ( 0.000 2.844 0.000) 2.844 4.914 ( 0.000 -1.465 0.000) 1.465 4.914 ( 0.000 -1.465 0.000) 1.465 5.405 ( 0.000 3.422 0.000) 3.422 5.405 ( 0.000 3.422 0.000) 3.422 5.540 ( -0.000 -3.224 -0.000) 3.224 5.540 ( 0.000 -3.224 0.000) 3.224 5.720 ( -0.000 -0.491 -0.000) 0.491 5.720 ( 0.000 -0.491 0.000) 0.491 5.739 ( 0.000 -0.695 -0.000) 0.695 5.739 ( -0.000 -0.695 0.000) 0.695 5.964 ( -0.000 4.904 0.000) 4.904 5.964 ( 0.000 4.904 0.000) 4.904 5.991 ( -0.000 1.460 0.000) 1.460 5.991 ( 0.000 1.460 0.000) 1.460 6.026 ( 0.000 1.697 -0.000) 1.697 6.026 ( -0.000 1.697 0.000) 1.697 6.182 ( 0.000 -1.373 -0.000) 1.373 6.182 ( 0.000 -1.373 0.000) 1.373 6.524 ( 0.000 -0.126 -0.000) 0.126 6.524 ( 0.000 -0.126 0.000) 0.126 6.568 ( 0.000 -2.857 -0.000) 2.857 6.568 ( 0.000 -2.857 0.000) 2.857 6.890 ( 0.000 7.815 -0.000) 7.815 6.890 ( 0.000 7.815 0.000) 7.815 6.953 ( 0.000 9.980 0.000) 9.980 6.953 ( 0.000 9.980 0.000) 9.980 7.121 ( 0.000 0.834 0.000) 0.834 7.121 ( 0.000 0.834 0.000) 0.834 7.206 ( 0.000 -7.946 0.000) 7.946 7.206 ( 0.000 -7.946 0.000) 7.946 7.378 ( 0.000 8.257 -0.000) 8.257 7.378 ( 0.000 8.257 0.000) 8.257 7.598 ( 0.000 -5.576 0.000) 5.576 7.598 ( 0.000 -5.576 0.000) 5.576 7.743 ( -0.000 7.126 -0.000) 7.126 7.743 ( 0.000 7.126 0.000) 7.126 7.802 ( 0.000 3.138 -0.000) 3.138 7.802 ( 0.000 3.138 0.000) 3.138 7.995 ( 0.000 3.679 -0.000) 3.679 7.995 ( 0.000 3.679 0.000) 3.679 8.115 ( 0.000 8.393 -0.000) 8.393 8.115 ( 0.000 8.393 0.000) 8.393 8.311 ( 0.000 -5.193 -0.000) 5.193 8.311 ( 0.000 -5.193 0.000) 5.193 8.410 ( 0.000 -14.341 -0.000) 14.341 8.410 ( 0.000 -14.341 0.000) 14.341 8.563 ( 0.000 -14.089 -0.000) 14.089 8.563 ( 0.000 -14.089 0.000) 14.089 8.803 ( 0.000 -21.856 0.000) 21.856 8.803 ( 0.000 -21.856 0.000) 21.856 10.226 ( 0.000 2.769 -0.000) 2.769 10.226 ( 0.000 2.769 0.000) 2.769 10.286 ( -0.000 0.527 -0.000) 0.527 10.286 ( -0.000 0.527 0.000) 0.527 10.378 ( 0.000 -4.289 -0.000) 4.289 10.378 ( 0.000 -4.289 0.000) 4.289 10.410 ( -0.000 -5.197 -0.000) 5.197 10.410 ( -0.000 -5.197 0.000) 5.197 10.960 ( 0.000 17.003 -0.000) 17.003 10.960 ( 0.000 17.003 0.000) 17.003 11.284 ( 0.000 5.294 0.000) 5.294 11.284 ( 0.000 5.294 0.000) 5.294 11.829 ( 0.000 5.033 0.000) 5.033 11.829 ( 0.000 5.033 0.000) 5.033 12.145 ( 0.000 -6.131 0.000) 6.131 12.145 ( 0.000 -6.131 0.000) 6.131 16.434 ( -0.000 -0.352 -0.000) 0.352 16.434 ( 0.000 -0.352 0.000) 0.352 16.453 ( 0.000 -0.901 -0.000) 0.901 16.453 ( 0.000 -0.901 0.000) 0.901 16.822 ( 0.000 1.750 -0.000) 1.750 16.822 ( 0.000 1.750 0.000) 1.750 16.893 ( 0.000 -1.898 0.000) 1.898 16.893 ( 0.000 -1.898 0.000) 1.898 17.355 ( 0.000 0.303 -0.000) 0.303 17.355 ( 0.000 0.303 0.000) 0.303 17.364 ( -0.000 0.186 -0.000) 0.186 17.364 ( 0.000 0.186 0.000) 0.186 17.736 ( 0.000 7.007 0.000) 7.007 17.736 ( 0.000 7.007 0.000) 7.007 17.883 ( 0.000 -0.824 -0.000) 0.824 17.883 ( 0.000 -0.824 0.000) 0.824 18.744 ( 0.000 5.229 -0.000) 5.229 18.744 ( 0.000 5.229 0.000) 5.229 19.024 ( 0.000 -7.591 0.000) 7.591 19.024 ( 0.000 -7.591 0.000) 7.591 19.840 ( 0.000 2.423 0.000) 2.423 19.840 ( 0.000 2.423 0.000) 2.423 19.984 ( 0.000 -4.503 0.000) 4.503 19.984 ( 0.000 -4.503 0.000) 4.503 107.917 ( 0.000 0.678 0.000) 0.678 107.917 ( 0.000 0.678 0.000) 0.678 107.945 ( 0.000 -0.622 0.000) 0.622 107.945 ( 0.000 -0.622 0.000) 0.622 108.000 ( 0.000 0.263 0.000) 0.263 108.000 ( 0.000 0.263 0.000) 0.263 108.012 ( 0.000 -0.291 0.000) 0.291 108.012 ( 0.000 -0.291 0.000) 0.291 ======================= Grid point 180 (56/60) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( 0.000 0.000 0.000) 0.000 1.430 ( 0.000 0.000 0.000) 0.000 1.529 ( 0.000 0.000 0.000) 0.000 1.529 ( 0.000 0.000 0.000) 0.000 1.668 ( 0.000 -0.000 0.000) 0.000 1.668 ( 0.000 0.000 0.000) 0.000 1.904 ( 0.000 0.000 0.000) 0.000 1.904 ( 0.000 0.000 0.000) 0.000 2.368 ( 0.000 0.000 0.000) 0.000 2.368 ( 0.000 0.000 0.000) 0.000 2.468 ( 0.000 0.000 -0.000) 0.000 2.468 ( 0.000 0.000 0.000) 0.000 2.803 ( 0.000 -0.000 -0.000) 0.000 2.803 ( 0.000 0.000 -0.000) 0.000 2.840 ( 0.000 -0.000 0.000) 0.000 2.840 ( 0.000 0.000 0.000) 0.000 2.895 ( 0.000 0.000 0.000) 0.000 2.895 ( 0.000 0.000 0.000) 0.000 3.001 ( 0.000 0.000 -0.000) 0.000 3.001 ( 0.000 0.000 -0.000) 0.000 3.281 ( 0.000 0.000 0.000) 0.000 3.281 ( 0.000 0.000 0.000) 0.000 3.335 ( 0.000 0.000 0.000) 0.000 3.335 ( 0.000 0.000 0.000) 0.000 3.503 ( 0.000 0.000 0.000) 0.000 3.503 ( 0.000 0.000 0.000) 0.000 3.570 ( 0.000 0.000 -0.000) 0.000 3.570 ( 0.000 0.000 0.000) 0.000 3.800 ( 0.000 0.000 0.000) 0.000 3.800 ( 0.000 0.000 0.000) 0.000 3.919 ( 0.000 0.000 0.000) 0.000 3.919 ( 0.000 0.000 0.000) 0.000 4.140 ( 0.000 0.000 -0.000) 0.000 4.140 ( 0.000 0.000 0.000) 0.000 4.193 ( 0.000 0.000 -0.000) 0.000 4.193 ( 0.000 0.000 0.000) 0.000 4.320 ( 0.000 0.000 0.000) 0.000 4.320 ( 0.000 -0.000 0.000) 0.000 4.352 ( 0.000 -0.000 -0.000) 0.000 4.352 ( 0.000 0.000 -0.000) 0.000 4.954 ( 0.000 0.000 0.000) 0.000 4.954 ( 0.000 0.000 0.000) 0.000 5.003 ( 0.000 -0.000 -0.000) 0.000 5.003 ( 0.000 -0.000 0.000) 0.000 5.182 ( 0.000 -0.000 0.000) 0.000 5.182 ( 0.000 -0.000 0.000) 0.000 5.194 ( 0.000 0.000 0.000) 0.000 5.194 ( 0.000 0.000 -0.000) 0.000 5.497 ( 0.000 0.000 0.000) 0.000 5.497 ( 0.000 0.000 0.000) 0.000 5.691 ( 0.000 0.000 0.000) 0.000 5.691 ( 0.000 0.000 0.000) 0.000 5.738 ( 0.000 0.000 0.000) 0.000 5.738 ( 0.000 0.000 0.000) 0.000 6.044 ( 0.000 0.000 0.000) 0.000 6.044 ( 0.000 0.000 0.000) 0.000 6.058 ( 0.000 0.000 -0.000) 0.000 6.058 ( 0.000 0.000 -0.000) 0.000 6.111 ( 0.000 0.000 0.000) 0.000 6.111 ( 0.000 0.000 0.000) 0.000 6.152 ( 0.000 0.000 0.000) 0.000 6.152 ( 0.000 0.000 0.000) 0.000 6.373 ( 0.000 0.000 0.000) 0.000 6.373 ( 0.000 0.000 0.000) 0.000 6.491 ( 0.000 0.000 0.000) 0.000 6.491 ( 0.000 0.000 0.000) 0.000 6.595 ( 0.000 0.000 0.000) 0.000 6.595 ( 0.000 -0.000 0.000) 0.000 6.627 ( 0.000 0.000 0.000) 0.000 6.627 ( 0.000 0.000 0.000) 0.000 6.798 ( 0.000 0.000 0.000) 0.000 6.798 ( 0.000 0.000 0.000) 0.000 6.958 ( 0.000 0.000 0.000) 0.000 6.958 ( 0.000 0.000 0.000) 0.000 7.370 ( 0.000 0.000 -0.000) 0.000 7.370 ( 0.000 0.000 0.000) 0.000 7.503 ( 0.000 0.000 -0.000) 0.000 7.503 ( 0.000 0.000 0.000) 0.000 7.521 ( 0.000 -0.000 -0.000) 0.000 7.521 ( 0.000 -0.000 0.000) 0.000 7.555 ( 0.000 0.000 0.000) 0.000 7.555 ( 0.000 0.000 -0.000) 0.000 7.864 ( 0.000 0.000 0.000) 0.000 7.864 ( 0.000 0.000 -0.000) 0.000 7.912 ( 0.000 0.000 0.000) 0.000 7.912 ( 0.000 0.000 0.000) 0.000 7.948 ( 0.000 0.000 0.000) 0.000 7.948 ( 0.000 0.000 0.000) 0.000 7.956 ( 0.000 -0.000 0.000) 0.000 7.956 ( 0.000 -0.000 0.000) 0.000 8.117 ( 0.000 0.000 0.000) 0.000 8.117 ( 0.000 -0.000 0.000) 0.000 8.476 ( 0.000 0.000 0.000) 0.000 8.476 ( 0.000 0.000 0.000) 0.000 8.838 ( 0.000 0.000 0.000) 0.000 8.838 ( 0.000 0.000 0.000) 0.000 9.519 ( 0.000 0.000 0.000) 0.000 9.519 ( 0.000 0.000 0.000) 0.000 9.829 ( 0.000 0.000 0.000) 0.000 9.829 ( 0.000 0.000 0.000) 0.000 10.644 ( 0.000 0.000 0.000) 0.000 10.644 ( 0.000 -0.000 0.000) 0.000 10.717 ( 0.000 0.000 -0.000) 0.000 10.717 ( 0.000 0.000 0.000) 0.000 11.214 ( 0.000 0.000 0.000) 0.000 11.214 ( 0.000 0.000 0.000) 0.000 11.260 ( 0.000 -0.000 -0.000) 0.000 11.260 ( 0.000 -0.000 0.000) 0.000 12.122 ( 0.000 0.000 -0.000) 0.000 12.122 ( 0.000 0.000 0.000) 0.000 12.208 ( 0.000 -0.000 -0.000) 0.000 12.208 ( 0.000 -0.000 0.000) 0.000 16.675 ( 0.000 -0.000 0.000) 0.000 16.675 ( 0.000 0.000 0.000) 0.000 16.716 ( 0.000 0.000 0.000) 0.000 16.716 ( 0.000 0.000 0.000) 0.000 17.034 ( 0.000 0.000 0.000) 0.000 17.034 ( 0.000 0.000 0.000) 0.000 17.275 ( 0.000 0.000 0.000) 0.000 17.275 ( 0.000 0.000 0.000) 0.000 17.348 ( 0.000 0.000 -0.000) 0.000 17.348 ( 0.000 0.000 -0.000) 0.000 17.352 ( 0.000 0.000 0.000) 0.000 17.352 ( 0.000 0.000 0.000) 0.000 17.626 ( 0.000 0.000 0.000) 0.000 17.626 ( 0.000 0.000 0.000) 0.000 17.941 ( 0.000 0.000 0.000) 0.000 17.941 ( 0.000 0.000 0.000) 0.000 18.461 ( 0.000 0.000 0.000) 0.000 18.461 ( 0.000 0.000 0.000) 0.000 18.874 ( 0.000 0.000 0.000) 0.000 18.874 ( 0.000 0.000 0.000) 0.000 19.890 ( 0.000 0.000 0.000) 0.000 19.890 ( 0.000 0.000 0.000) 0.000 20.058 ( 0.000 0.000 0.000) 0.000 20.058 ( 0.000 0.000 0.000) 0.000 107.932 ( 0.000 0.000 0.000) 0.000 107.932 ( 0.000 0.000 0.000) 0.000 107.938 ( 0.000 0.000 0.000) 0.000 107.938 ( 0.000 0.000 0.000) 0.000 107.971 ( 0.000 0.000 0.000) 0.000 107.971 ( 0.000 0.000 0.000) 0.000 107.994 ( 0.000 0.000 0.000) 0.000 107.994 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 184 (57/60) ======================= q-point: ( 0.12 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( 6.103 0.000 0.000) 6.103 1.500 ( 6.103 0.000 0.000) 6.103 1.570 ( 3.695 0.000 0.000) 3.695 1.570 ( 3.695 0.000 0.000) 3.695 1.785 ( 6.957 -0.000 0.000) 6.957 1.785 ( 6.957 0.000 0.000) 6.957 1.981 ( 9.376 0.000 0.000) 9.376 1.981 ( 9.376 0.000 0.000) 9.376 2.351 ( -1.259 0.000 0.000) 1.259 2.351 ( -1.259 0.000 0.000) 1.259 2.470 ( -0.244 0.000 -0.000) 0.244 2.470 ( -0.244 0.000 0.000) 0.244 2.713 ( -4.796 0.000 0.000) 4.796 2.713 ( -4.796 0.000 -0.000) 4.796 2.846 ( -1.260 0.000 -0.000) 1.260 2.846 ( -1.260 0.000 0.000) 1.260 2.926 ( 3.797 0.000 0.000) 3.797 2.926 ( 3.797 0.000 0.000) 3.797 3.142 ( 9.468 0.000 -0.000) 9.468 3.142 ( 9.468 0.000 0.000) 9.468 3.244 ( -2.454 0.000 0.000) 2.454 3.244 ( -2.454 0.000 0.000) 2.454 3.316 ( -0.672 0.000 0.000) 0.672 3.316 ( -0.672 -0.000 0.000) 0.672 3.553 ( 4.193 -0.000 0.000) 4.193 3.553 ( 4.193 0.000 0.000) 4.193 3.573 ( 0.753 0.000 -0.000) 0.753 3.573 ( 0.753 0.000 0.000) 0.753 3.816 ( 1.384 0.000 0.000) 1.384 3.816 ( 1.384 0.000 0.000) 1.384 3.925 ( 0.537 0.000 0.000) 0.537 3.925 ( 0.537 0.000 0.000) 0.537 4.110 ( -3.082 0.000 0.000) 3.082 4.110 ( -3.082 0.000 0.000) 3.082 4.184 ( -0.772 0.000 -0.000) 0.772 4.184 ( -0.772 0.000 0.000) 0.772 4.320 ( 0.358 0.000 0.000) 0.358 4.320 ( 0.358 0.000 0.000) 0.358 4.349 ( -0.385 0.000 0.000) 0.385 4.349 ( -0.385 0.000 0.000) 0.385 4.839 ( -10.095 0.000 -0.000) 10.095 4.839 ( -10.095 0.000 0.000) 10.095 4.901 ( -7.398 -0.000 -0.000) 7.398 4.901 ( -7.398 0.000 0.000) 7.398 5.147 ( -4.302 -0.000 0.000) 4.302 5.147 ( -4.302 0.000 0.000) 4.302 5.178 ( -1.711 -0.000 -0.000) 1.711 5.178 ( -1.711 0.000 0.000) 1.711 5.462 ( -2.749 0.000 0.000) 2.749 5.462 ( -2.749 0.000 0.000) 2.749 5.634 ( -4.672 0.000 0.000) 4.672 5.634 ( -4.672 0.000 0.000) 4.672 5.714 ( -0.419 0.000 -0.000) 0.419 5.714 ( -0.419 0.000 0.000) 0.419 6.028 ( -0.251 0.000 0.000) 0.251 6.028 ( -0.251 0.000 0.000) 0.251 6.038 ( -2.430 -0.000 0.000) 2.430 6.038 ( -2.430 0.000 0.000) 2.430 6.119 ( -2.450 0.000 0.000) 2.450 6.119 ( -2.450 0.000 0.000) 2.450 6.187 ( 1.000 0.000 0.000) 1.000 6.187 ( 1.000 0.000 0.000) 1.000 6.388 ( 0.716 0.000 0.000) 0.716 6.388 ( 0.716 0.000 0.000) 0.716 6.534 ( 4.107 0.000 0.000) 4.107 6.534 ( 4.107 0.000 0.000) 4.107 6.602 ( 1.256 0.000 0.000) 1.256 6.602 ( 1.256 0.000 0.000) 1.256 6.679 ( 4.254 0.000 -0.000) 4.254 6.679 ( 4.254 0.000 0.000) 4.254 6.781 ( 0.804 0.000 0.000) 0.804 6.781 ( 0.804 0.000 0.000) 0.804 7.000 ( 2.952 -0.000 0.000) 2.952 7.000 ( 2.952 0.000 0.000) 2.952 7.348 ( -9.901 0.000 -0.000) 9.901 7.348 ( -9.901 0.000 0.000) 9.901 7.379 ( 1.763 -0.000 -0.000) 1.763 7.379 ( 1.763 -0.000 0.000) 1.763 7.617 ( 6.405 0.000 0.000) 6.405 7.617 ( 6.405 -0.000 0.000) 6.405 7.632 ( 2.881 0.000 -0.000) 2.881 7.632 ( 2.881 0.000 0.000) 2.881 7.804 ( -0.306 -0.000 0.000) 0.306 7.804 ( -0.306 0.000 0.000) 0.306 7.840 ( -3.459 -0.000 -0.000) 3.459 7.840 ( -3.459 0.000 0.000) 3.459 8.011 ( 3.043 0.000 -0.000) 3.043 8.011 ( 3.043 0.000 0.000) 3.043 8.059 ( 5.633 -0.000 -0.000) 5.633 8.059 ( 5.633 0.000 0.000) 5.633 8.170 ( 3.961 0.000 -0.000) 3.961 8.170 ( 3.961 0.000 0.000) 3.961 8.460 ( -1.188 0.000 0.000) 1.188 8.460 ( -1.188 0.000 0.000) 1.188 8.820 ( -2.781 0.000 0.000) 2.781 8.820 ( -2.781 0.000 0.000) 2.781 9.564 ( 5.230 0.000 0.000) 5.230 9.564 ( 5.230 0.000 0.000) 5.230 9.864 ( 3.382 0.000 0.000) 3.382 9.864 ( 3.382 0.000 0.000) 3.382 10.632 ( -1.245 0.000 0.000) 1.245 10.632 ( -1.245 -0.000 0.000) 1.245 10.704 ( -1.402 0.000 -0.000) 1.402 10.704 ( -1.402 0.000 0.000) 1.402 11.214 ( 0.044 0.000 -0.000) 0.044 11.214 ( 0.044 0.000 0.000) 0.044 11.263 ( 0.121 -0.000 -0.000) 0.121 11.263 ( 0.121 -0.000 0.000) 0.121 12.092 ( -2.578 0.000 -0.000) 2.578 12.092 ( -2.578 0.000 0.000) 2.578 12.178 ( -2.725 -0.000 -0.000) 2.725 12.178 ( -2.725 -0.000 0.000) 2.725 16.667 ( -1.248 -0.000 -0.000) 1.248 16.667 ( -1.248 0.000 0.000) 1.248 16.692 ( -2.296 0.000 -0.000) 2.296 16.692 ( -2.296 0.000 0.000) 2.296 16.956 ( -5.827 0.000 -0.000) 5.827 16.956 ( -5.827 0.000 0.000) 5.827 17.114 ( -9.552 0.000 -0.000) 9.552 17.114 ( -9.552 0.000 0.000) 9.552 17.347 ( -0.048 0.000 0.000) 0.048 17.347 ( -0.048 0.000 0.000) 0.048 17.446 ( 3.398 0.000 0.000) 3.398 17.446 ( 3.398 0.000 0.000) 3.398 17.669 ( 3.336 0.000 0.000) 3.336 17.669 ( 3.336 0.000 0.000) 3.336 17.891 ( -3.041 0.000 0.000) 3.041 17.891 ( -3.041 0.000 0.000) 3.041 18.553 ( 7.181 0.000 0.000) 7.181 18.553 ( 7.181 0.000 0.000) 7.181 18.866 ( -0.545 0.000 0.000) 0.545 18.866 ( -0.545 0.000 0.000) 0.545 19.904 ( 1.048 -0.000 0.000) 1.048 19.904 ( 1.048 0.000 0.000) 1.048 20.038 ( -1.847 -0.000 0.000) 1.847 20.038 ( -1.847 0.000 0.000) 1.847 107.932 ( -0.018 -0.000 0.000) 0.018 107.932 ( -0.018 0.000 0.000) 0.018 107.937 ( -0.083 0.000 0.000) 0.083 107.937 ( -0.083 0.000 0.000) 0.083 107.975 ( 0.361 0.000 0.000) 0.361 107.975 ( 0.361 0.000 0.000) 0.361 107.996 ( 0.243 0.000 0.000) 0.243 107.996 ( 0.243 0.000 0.000) 0.243 ======================= Grid point 188 (58/60) ======================= q-point: ( 0.25 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( 5.832 0.000 0.000) 5.832 1.632 ( 5.832 0.000 0.000) 5.832 1.683 ( 6.578 0.000 -0.000) 6.578 1.683 ( 6.578 0.000 0.000) 6.578 1.842 ( -0.298 -0.000 0.000) 0.298 1.842 ( -0.298 0.000 0.000) 0.298 2.227 ( 2.977 0.000 0.000) 2.977 2.227 ( 2.977 0.000 0.000) 2.977 2.387 ( 11.580 0.000 -0.000) 11.580 2.387 ( 11.580 0.000 0.000) 11.580 2.444 ( -1.238 0.000 -0.000) 1.238 2.444 ( -1.238 0.000 0.000) 1.238 2.677 ( 1.200 0.000 0.000) 1.200 2.677 ( 1.200 0.000 0.000) 1.200 2.766 ( -4.326 0.000 0.000) 4.326 2.766 ( -4.326 0.000 0.000) 4.326 3.040 ( 5.405 0.000 0.000) 5.405 3.040 ( 5.405 0.000 0.000) 5.405 3.230 ( 1.142 0.000 0.000) 1.142 3.230 ( 1.142 0.000 0.000) 1.142 3.244 ( -0.218 -0.000 0.000) 0.218 3.244 ( -0.218 0.000 0.000) 0.218 3.401 ( 8.193 -0.000 0.000) 8.193 3.401 ( 8.193 0.000 0.000) 8.193 3.603 ( 2.099 0.000 0.000) 2.099 3.603 ( 2.099 0.000 0.000) 2.099 3.667 ( 6.308 -0.000 -0.000) 6.308 3.667 ( 6.308 0.000 0.000) 6.308 3.859 ( 3.385 0.000 0.000) 3.385 3.859 ( 3.385 0.000 0.000) 3.385 3.939 ( 0.560 0.000 0.000) 0.560 3.939 ( 0.560 0.000 0.000) 0.560 4.040 ( -2.715 0.000 0.000) 2.715 4.040 ( -2.715 -0.000 0.000) 2.715 4.163 ( -1.334 0.000 -0.000) 1.334 4.163 ( -1.334 0.000 -0.000) 1.334 4.329 ( -0.035 0.000 -0.000) 0.035 4.329 ( -0.035 0.000 0.000) 0.035 4.343 ( 0.607 0.000 0.000) 0.607 4.343 ( 0.607 -0.000 0.000) 0.607 4.584 ( -12.958 0.000 0.000) 12.958 4.584 ( -12.958 0.000 0.000) 12.958 4.763 ( -5.021 0.000 0.000) 5.021 4.763 ( -5.021 0.000 0.000) 5.021 5.001 ( -8.867 -0.000 0.000) 8.867 5.001 ( -8.867 0.000 0.000) 8.867 5.115 ( -4.464 0.000 0.000) 4.464 5.115 ( -4.464 0.000 0.000) 4.464 5.419 ( -1.057 0.000 0.000) 1.057 5.419 ( -1.057 0.000 0.000) 1.057 5.539 ( -3.541 0.000 0.000) 3.541 5.539 ( -3.541 0.000 0.000) 3.541 5.746 ( 3.302 0.000 0.000) 3.302 5.746 ( 3.302 0.000 0.000) 3.302 5.949 ( -6.143 0.000 0.000) 6.143 5.949 ( -6.143 0.000 0.000) 6.143 6.009 ( -3.617 0.000 -0.000) 3.617 6.009 ( -3.617 0.000 -0.000) 3.617 6.063 ( -2.338 0.000 0.000) 2.338 6.063 ( -2.338 0.000 0.000) 2.338 6.117 ( -3.890 -0.000 -0.000) 3.890 6.117 ( -3.890 0.000 0.000) 3.890 6.387 ( -1.969 0.000 0.000) 1.969 6.387 ( -1.969 0.000 0.000) 1.969 6.578 ( -3.193 0.000 -0.000) 3.193 6.578 ( -3.193 0.000 0.000) 3.193 6.601 ( 1.172 -0.000 -0.000) 1.172 6.601 ( 1.172 0.000 0.000) 1.172 6.793 ( 6.419 -0.000 0.000) 6.419 6.793 ( 6.419 -0.000 0.000) 6.419 6.893 ( 7.059 0.000 0.000) 7.059 6.893 ( 7.059 0.000 0.000) 7.059 7.072 ( 3.910 -0.000 0.000) 3.910 7.072 ( 3.910 0.000 0.000) 3.910 7.157 ( -6.874 0.000 0.000) 6.874 7.157 ( -6.874 0.000 0.000) 6.874 7.412 ( 1.153 0.000 -0.000) 1.153 7.412 ( 1.153 -0.000 0.000) 1.153 7.645 ( -1.744 0.000 0.000) 1.744 7.645 ( -1.744 -0.000 0.000) 1.744 7.760 ( 7.864 -0.000 -0.000) 7.864 7.760 ( 7.864 0.000 0.000) 7.864 7.811 ( 0.792 -0.000 0.000) 0.792 7.811 ( 0.792 0.000 0.000) 0.792 7.876 ( 5.039 -0.000 -0.000) 5.039 7.876 ( 5.039 0.000 0.000) 5.039 8.070 ( 2.415 0.000 0.000) 2.415 8.070 ( 2.415 0.000 0.000) 2.415 8.129 ( 1.340 -0.000 -0.000) 1.340 8.129 ( 1.340 0.000 0.000) 1.340 8.254 ( 3.722 0.000 -0.000) 3.722 8.254 ( 3.722 0.000 0.000) 3.722 8.449 ( 0.341 -0.000 0.000) 0.341 8.449 ( 0.341 -0.000 0.000) 0.341 8.704 ( -7.500 0.000 0.000) 7.500 8.704 ( -7.500 0.000 0.000) 7.500 9.752 ( 12.149 0.000 0.000) 12.149 9.752 ( 12.149 0.000 0.000) 12.149 9.969 ( 6.491 0.000 0.000) 6.491 9.969 ( 6.491 0.000 0.000) 6.491 10.583 ( -3.716 -0.000 0.000) 3.716 10.583 ( -3.716 -0.000 0.000) 3.716 10.649 ( -4.150 0.000 -0.000) 4.150 10.649 ( -4.150 0.000 0.000) 4.150 11.215 ( 0.038 -0.000 0.000) 0.038 11.215 ( 0.038 0.000 0.000) 0.038 11.260 ( -0.504 -0.000 0.000) 0.504 11.260 ( -0.504 0.000 0.000) 0.504 12.031 ( -2.860 0.000 -0.000) 2.860 12.031 ( -2.860 0.000 0.000) 2.860 12.107 ( -3.774 -0.000 -0.000) 3.774 12.107 ( -3.774 -0.000 0.000) 3.774 16.594 ( -5.734 -0.000 0.000) 5.734 16.594 ( -5.734 0.000 0.000) 5.734 16.618 ( -4.917 -0.000 0.000) 4.917 16.618 ( -4.917 0.000 0.000) 4.917 16.870 ( -1.636 0.000 -0.000) 1.636 16.870 ( -1.636 0.000 0.000) 1.636 16.939 ( -6.329 0.000 0.000) 6.329 16.939 ( -6.329 0.000 0.000) 6.329 17.344 ( -0.237 0.000 0.000) 0.237 17.344 ( -0.237 0.000 0.000) 0.237 17.461 ( -1.560 -0.000 -0.000) 1.560 17.461 ( -1.560 0.000 0.000) 1.560 17.738 ( 3.048 0.000 0.000) 3.048 17.738 ( 3.048 0.000 0.000) 3.048 17.860 ( -0.061 0.000 0.000) 0.061 17.860 ( -0.061 0.000 0.000) 0.061 18.704 ( 6.641 0.000 0.000) 6.641 18.704 ( 6.641 0.000 0.000) 6.641 18.863 ( 0.366 -0.000 0.000) 0.366 18.863 ( 0.366 0.000 0.000) 0.366 19.917 ( -0.021 -0.000 -0.000) 0.021 19.917 ( -0.021 0.000 0.000) 0.021 19.987 ( -2.867 -0.000 0.000) 2.867 19.987 ( -2.867 0.000 -0.000) 2.867 107.932 ( -0.029 -0.000 0.000) 0.029 107.932 ( -0.029 0.000 0.000) 0.029 107.935 ( -0.128 0.000 0.000) 0.128 107.935 ( -0.128 0.000 0.000) 0.128 107.985 ( 0.590 0.000 0.000) 0.590 107.985 ( 0.590 0.000 0.000) 0.590 108.002 ( 0.295 0.000 0.000) 0.295 108.002 ( 0.295 0.000 0.000) 0.295 ======================= Grid point 192 (59/60) ======================= q-point: ( 0.38 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( 4.813 0.000 -0.000) 4.813 1.759 ( 4.813 0.000 0.000) 4.813 1.783 ( 4.308 0.000 0.000) 4.308 1.783 ( 4.308 -0.000 0.000) 4.308 1.813 ( -1.795 0.000 -0.000) 1.795 1.813 ( -1.795 0.000 -0.000) 1.795 2.127 ( -8.214 0.000 0.000) 8.214 2.127 ( -8.214 0.000 0.000) 8.214 2.479 ( 4.507 -0.000 0.000) 4.507 2.479 ( 4.507 0.000 -0.000) 4.507 2.589 ( 1.153 0.000 0.000) 1.153 2.589 ( 1.153 0.000 0.000) 1.153 2.729 ( 3.797 -0.000 0.000) 3.797 2.729 ( 3.797 0.000 0.000) 3.797 2.841 ( 12.727 -0.000 0.000) 12.727 2.841 ( 12.727 0.000 0.000) 12.727 3.046 ( -5.554 -0.000 -0.000) 5.554 3.046 ( -5.554 0.000 0.000) 5.554 3.208 ( -3.208 0.000 0.000) 3.208 3.208 ( -3.208 0.000 0.000) 3.208 3.309 ( 7.060 -0.000 -0.000) 7.060 3.309 ( 7.060 0.000 0.000) 7.060 3.542 ( 3.786 -0.000 -0.000) 3.786 3.542 ( 3.786 0.000 0.000) 3.786 3.676 ( 4.571 0.000 0.000) 4.571 3.676 ( 4.571 0.000 0.000) 4.571 3.783 ( 4.422 0.000 0.000) 4.422 3.783 ( 4.422 0.000 0.000) 4.422 3.901 ( -4.822 -0.000 0.000) 4.822 3.901 ( -4.822 0.000 0.000) 4.822 3.961 ( 3.133 -0.000 0.000) 3.133 3.961 ( 3.133 0.000 0.000) 3.133 4.006 ( 1.664 0.000 -0.000) 1.664 4.006 ( 1.664 0.000 0.000) 1.664 4.146 ( 0.148 -0.000 -0.000) 0.148 4.146 ( 0.148 0.000 0.000) 0.148 4.296 ( -3.272 -0.000 0.000) 3.272 4.296 ( -3.272 0.000 0.000) 3.272 4.346 ( -8.285 0.000 0.000) 8.285 4.346 ( -8.285 0.000 0.000) 8.285 4.418 ( 6.050 -0.000 0.000) 6.050 4.418 ( 6.050 0.000 0.000) 6.050 4.714 ( -0.636 0.000 -0.000) 0.636 4.714 ( -0.636 0.000 0.000) 0.636 4.820 ( -6.573 0.000 0.000) 6.573 4.820 ( -6.573 0.000 0.000) 6.573 4.996 ( -6.538 -0.000 0.000) 6.538 4.996 ( -6.538 -0.000 0.000) 6.538 5.423 ( 1.580 0.000 -0.000) 1.580 5.423 ( 1.580 0.000 0.000) 1.580 5.497 ( -0.734 -0.000 0.000) 0.734 5.497 ( -0.734 -0.000 0.000) 0.734 5.799 ( -7.128 -0.000 0.000) 7.128 5.799 ( -7.128 0.000 0.000) 7.128 5.829 ( -1.195 0.000 -0.000) 1.195 5.829 ( -1.195 0.000 0.000) 1.195 5.873 ( -0.881 -0.000 -0.000) 0.881 5.873 ( -0.881 0.000 0.000) 0.881 6.039 ( -0.184 -0.000 0.000) 0.184 6.039 ( -0.184 0.000 0.000) 0.184 6.102 ( 0.601 -0.000 -0.000) 0.601 6.102 ( 0.601 0.000 0.000) 0.601 6.273 ( -8.443 0.000 0.000) 8.443 6.273 ( -8.443 0.000 0.000) 8.443 6.520 ( -1.637 -0.000 -0.000) 1.637 6.520 ( -1.637 0.000 0.000) 1.637 6.577 ( -2.666 0.000 0.000) 2.666 6.577 ( -2.666 0.000 0.000) 2.666 6.931 ( 6.196 -0.000 0.000) 6.196 6.931 ( 6.196 0.000 0.000) 6.196 6.996 ( 2.811 -0.000 0.000) 2.811 6.996 ( 2.811 0.000 0.000) 2.811 7.090 ( -0.096 0.000 0.000) 0.096 7.090 ( -0.096 0.000 0.000) 0.096 7.135 ( 1.330 -0.000 0.000) 1.330 7.135 ( 1.330 0.000 0.000) 1.330 7.445 ( 2.115 0.000 -0.000) 2.115 7.445 ( 2.115 0.000 0.000) 2.115 7.581 ( -3.794 0.000 0.000) 3.794 7.581 ( -3.794 0.000 0.000) 3.794 7.849 ( 2.312 -0.000 0.000) 2.312 7.849 ( 2.312 0.000 0.000) 2.312 7.915 ( 4.065 -0.000 -0.000) 4.065 7.915 ( 4.065 0.000 0.000) 4.065 7.944 ( 2.962 -0.000 0.000) 2.962 7.944 ( 2.962 0.000 0.000) 2.962 8.098 ( -0.228 0.000 0.000) 0.228 8.098 ( -0.228 0.000 0.000) 0.228 8.179 ( 4.581 0.000 -0.000) 4.581 8.179 ( 4.581 0.000 0.000) 4.581 8.307 ( 0.939 0.000 0.000) 0.939 8.307 ( 0.939 0.000 0.000) 0.939 8.462 ( 0.549 -0.000 0.000) 0.549 8.462 ( 0.549 0.000 0.000) 0.549 8.554 ( -5.898 -0.000 0.000) 5.898 8.554 ( -5.898 0.000 0.000) 5.898 10.033 ( 13.961 0.000 0.000) 13.961 10.033 ( 13.961 0.000 0.000) 13.961 10.127 ( 8.429 0.000 0.000) 8.429 10.127 ( 8.429 0.000 0.000) 8.429 10.474 ( -6.697 -0.000 -0.000) 6.697 10.474 ( -6.697 -0.000 0.000) 6.697 10.522 ( -8.100 0.000 -0.000) 8.100 10.522 ( -8.100 0.000 0.000) 8.100 11.217 ( 0.179 -0.000 0.000) 0.179 11.217 ( 0.179 0.000 0.000) 0.179 11.243 ( -0.974 -0.000 0.000) 0.974 11.243 ( -0.974 0.000 0.000) 0.974 11.987 ( -1.099 0.000 -0.000) 1.099 11.987 ( -1.099 0.000 0.000) 1.099 12.033 ( -3.023 -0.000 -0.000) 3.023 12.033 ( -3.023 -0.000 0.000) 3.023 16.477 ( -4.349 -0.000 0.000) 4.349 16.477 ( -4.349 0.000 0.000) 4.349 16.504 ( -5.087 0.000 -0.000) 5.087 16.504 ( -5.087 0.000 0.000) 5.087 16.862 ( 0.018 -0.000 0.000) 0.018 16.862 ( 0.018 0.000 0.000) 0.018 16.862 ( -1.412 0.000 -0.000) 1.412 16.862 ( -1.412 -0.000 -0.000) 1.412 17.342 ( 0.244 0.000 0.000) 0.244 17.342 ( 0.244 0.000 0.000) 0.244 17.411 ( -2.728 -0.000 -0.000) 2.728 17.411 ( -2.728 0.000 0.000) 2.728 17.796 ( 2.510 -0.000 0.000) 2.510 17.796 ( 2.510 0.000 0.000) 2.510 17.862 ( -0.228 -0.000 0.000) 0.228 17.862 ( -0.228 0.000 0.000) 0.228 18.817 ( 4.050 0.000 0.000) 4.050 18.817 ( 4.050 0.000 0.000) 4.050 18.876 ( 0.557 -0.000 0.000) 0.557 18.876 ( 0.557 0.000 0.000) 0.557 19.906 ( -0.722 -0.000 0.000) 0.722 19.906 ( -0.722 0.000 0.000) 0.722 19.930 ( -2.268 -0.000 0.000) 2.268 19.930 ( -2.268 0.000 -0.000) 2.268 107.931 ( -0.013 -0.000 0.000) 0.013 107.931 ( -0.013 0.000 0.000) 0.013 107.933 ( -0.093 -0.000 0.000) 0.093 107.933 ( -0.093 0.000 0.000) 0.093 107.997 ( 0.530 0.000 0.000) 0.530 107.997 ( 0.530 0.000 0.000) 0.530 108.007 ( 0.100 0.000 0.000) 0.100 108.007 ( 0.100 0.000 0.000) 0.100 ======================= Grid point 196 (60/60) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( -0.021 -11.242 0.000) 11.242 1.785 ( -0.021 -11.242 0.000) 11.242 1.785 ( 0.021 11.242 -0.000) 11.242 1.785 ( 0.021 11.242 -0.000) 11.242 1.943 ( -6.319 -2.974 0.000) 6.984 1.943 ( -6.319 -2.974 0.000) 6.984 1.943 ( 6.319 2.974 0.000) 6.984 1.943 ( 6.320 2.974 0.000) 6.984 2.565 ( -0.405 -8.442 0.000) 8.451 2.565 ( -0.405 -8.442 0.000) 8.451 2.565 ( 0.405 8.442 0.000) 8.451 2.565 ( 0.405 8.442 0.000) 8.451 2.860 ( -7.818 -0.749 0.000) 7.853 2.860 ( -7.818 -0.749 0.000) 7.853 2.860 ( 7.818 0.749 0.000) 7.853 2.860 ( 7.818 0.749 0.000) 7.853 3.095 ( -6.047 -2.424 0.000) 6.515 3.095 ( -6.047 -2.424 0.000) 6.515 3.095 ( 6.047 2.424 0.000) 6.515 3.095 ( 6.047 2.424 0.000) 6.515 3.490 ( -3.816 -7.214 0.000) 8.161 3.490 ( -3.816 -7.214 0.000) 8.161 3.490 ( 3.816 7.214 0.000) 8.161 3.490 ( 3.816 7.214 0.000) 8.162 3.764 ( -1.156 -6.178 0.000) 6.285 3.764 ( -1.156 -6.178 0.000) 6.285 3.764 ( 1.156 6.178 0.000) 6.285 3.764 ( 1.156 6.178 0.000) 6.285 3.910 ( -2.842 -2.060 -0.000) 3.510 3.910 ( -2.842 -2.060 0.000) 3.510 3.910 ( 2.842 2.060 -0.000) 3.510 3.910 ( 2.842 2.060 0.000) 3.510 4.124 ( -1.971 -3.643 0.000) 4.143 4.124 ( -1.971 -3.643 0.000) 4.143 4.124 ( 1.971 3.643 0.000) 4.143 4.124 ( 1.971 3.643 0.000) 4.143 4.239 ( -0.005 -6.059 0.000) 6.059 4.239 ( -0.005 -6.059 0.000) 6.059 4.239 ( 0.005 6.059 0.000) 6.059 4.239 ( 0.005 6.059 0.000) 6.059 4.588 ( -8.793 -0.023 0.000) 8.793 4.588 ( -8.793 -0.023 0.000) 8.793 4.588 ( 8.793 0.023 0.000) 8.793 4.588 ( 8.793 0.023 0.000) 8.793 4.858 ( -4.012 -2.961 0.000) 4.986 4.858 ( -4.012 -2.961 0.000) 4.986 4.858 ( 4.012 2.961 0.000) 4.986 4.858 ( 4.012 2.961 0.000) 4.986 5.475 ( -0.738 -3.459 0.000) 3.537 5.475 ( -0.738 -3.459 0.000) 3.537 5.475 ( 0.738 3.459 0.000) 3.537 5.475 ( 0.738 3.459 0.000) 3.537 5.724 ( -1.235 -0.488 0.000) 1.328 5.724 ( -1.235 -0.488 0.000) 1.328 5.724 ( 1.235 0.488 -0.000) 1.328 5.724 ( 1.235 0.488 0.000) 1.328 6.002 ( -5.736 -0.031 -0.000) 5.736 6.002 ( -5.736 -0.031 0.000) 5.736 6.002 ( 5.736 0.031 -0.000) 5.736 6.002 ( 5.736 0.031 0.000) 5.736 6.122 ( -0.773 -5.231 -0.000) 5.288 6.122 ( -0.773 -5.231 0.000) 5.288 6.122 ( 0.773 5.231 0.000) 5.288 6.122 ( 0.773 5.231 0.000) 5.288 6.524 ( -1.186 -0.831 -0.000) 1.448 6.524 ( -1.186 -0.831 0.000) 1.448 6.524 ( 1.186 0.831 0.000) 1.448 6.524 ( 1.186 0.831 0.000) 1.448 7.014 ( -0.162 -4.952 0.000) 4.954 7.014 ( -0.162 -4.952 0.000) 4.954 7.014 ( 0.162 4.952 -0.000) 4.954 7.014 ( 0.162 4.952 0.000) 4.954 7.120 ( -1.808 -0.410 -0.000) 1.854 7.120 ( -1.808 -0.410 0.000) 1.854 7.120 ( 1.808 0.410 0.000) 1.854 7.120 ( 1.808 0.410 0.000) 1.854 7.502 ( -1.141 -4.625 0.000) 4.763 7.502 ( -1.141 -4.625 0.000) 4.763 7.502 ( 1.141 4.625 0.000) 4.763 7.502 ( 1.141 4.625 0.000) 4.763 7.897 ( -1.155 -1.491 0.000) 1.886 7.897 ( -1.155 -1.491 0.000) 1.886 7.897 ( 1.155 1.491 0.000) 1.886 7.897 ( 1.155 1.491 0.000) 1.886 8.050 ( -0.729 -11.846 0.000) 11.869 8.050 ( -0.729 -11.846 0.000) 11.869 8.050 ( 0.729 11.846 0.000) 11.869 8.050 ( 0.729 11.846 0.000) 11.869 8.280 ( -3.559 -0.087 -0.000) 3.560 8.280 ( -3.559 -0.087 0.000) 3.560 8.280 ( 3.559 0.087 -0.000) 3.560 8.280 ( 3.559 0.087 0.000) 3.560 8.478 ( -0.151 -8.403 -0.000) 8.405 8.478 ( -0.151 -8.403 0.000) 8.405 8.478 ( 0.151 8.403 0.000) 8.405 8.478 ( 0.151 8.403 0.000) 8.405 10.294 ( -0.291 -3.961 -0.000) 3.972 10.294 ( -0.291 -3.961 0.000) 3.972 10.294 ( 0.291 3.961 0.000) 3.972 10.294 ( 0.291 3.961 0.000) 3.972 10.326 ( -0.500 -3.117 -0.000) 3.156 10.326 ( -0.500 -3.117 0.000) 3.156 10.326 ( 0.500 3.117 -0.000) 3.156 10.326 ( 0.500 3.117 0.000) 3.156 11.225 ( -0.021 -9.956 0.000) 9.956 11.225 ( -0.021 -9.956 0.000) 9.956 11.225 ( 0.021 9.956 -0.000) 9.956 11.225 ( 0.021 9.956 0.000) 9.956 11.988 ( -0.071 -9.747 0.000) 9.748 11.988 ( -0.071 -9.747 0.000) 9.748 11.988 ( 0.071 9.747 0.000) 9.748 11.988 ( 0.071 9.747 0.000) 9.748 16.438 ( -0.442 -0.514 0.000) 0.678 16.438 ( -0.442 -0.514 0.000) 0.678 16.438 ( 0.442 0.514 0.000) 0.678 16.438 ( 0.442 0.514 0.000) 0.678 16.857 ( -0.034 -1.864 0.000) 1.865 16.857 ( -0.034 -1.864 0.000) 1.865 16.857 ( 0.034 1.864 0.000) 1.865 16.857 ( 0.034 1.864 0.000) 1.865 17.362 ( -1.609 -0.119 0.000) 1.613 17.362 ( -1.609 -0.119 0.000) 1.613 17.362 ( 1.609 0.119 0.000) 1.613 17.362 ( 1.609 0.119 0.000) 1.613 17.842 ( -0.385 -3.711 0.000) 3.731 17.842 ( -0.385 -3.711 0.000) 3.731 17.842 ( 0.385 3.711 0.000) 3.731 17.842 ( 0.385 3.711 0.000) 3.731 18.872 ( -0.098 -7.848 0.000) 7.849 18.872 ( -0.098 -7.848 0.000) 7.849 18.872 ( 0.098 7.848 0.000) 7.849 18.872 ( 0.098 7.848 0.000) 7.849 19.901 ( -0.026 -3.951 0.000) 3.951 19.901 ( -0.026 -3.951 0.000) 3.951 19.901 ( 0.026 3.951 0.000) 3.951 19.901 ( 0.026 3.951 0.000) 3.951 107.931 ( -0.001 -0.774 0.000) 0.774 107.931 ( -0.001 -0.774 0.000) 0.774 107.931 ( 0.001 0.774 0.000) 0.774 107.931 ( 0.001 0.774 0.000) 0.774 108.006 ( -0.078 -0.329 0.000) 0.338 108.006 ( -0.078 -0.329 0.000) 0.338 108.006 ( 0.078 0.329 0.000) 0.338 108.006 ( 0.078 0.329 0.000) 0.338 =================== 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 3/27648 10.0 17.305 22.338 15.806 0.000 0.000 0.000 3/27648 20.0 3.910 5.015 3.266 0.000 0.000 0.000 3/27648 30.0 1.828 2.293 1.414 0.000 0.000 0.000 3/27648 40.0 1.163 1.430 0.858 0.000 0.000 0.000 3/27648 50.0 0.856 1.034 0.614 0.000 0.000 0.000 3/27648 60.0 0.684 0.818 0.481 0.000 0.000 0.000 3/27648 70.0 0.576 0.689 0.399 0.000 0.000 0.000 3/27648 80.0 0.502 0.608 0.344 0.000 0.000 0.000 3/27648 90.0 0.448 0.553 0.304 0.000 0.000 0.000 3/27648 100.0 0.408 0.514 0.274 0.000 0.000 0.000 3/27648 110.0 0.375 0.484 0.250 0.000 0.000 0.000 3/27648 120.0 0.348 0.460 0.231 0.000 0.000 0.000 3/27648 130.0 0.326 0.440 0.215 0.000 0.000 0.000 3/27648 140.0 0.307 0.422 0.201 0.000 0.000 0.000 3/27648 150.0 0.290 0.405 0.189 0.000 0.000 0.000 3/27648 160.0 0.275 0.390 0.179 0.000 0.000 0.000 3/27648 170.0 0.261 0.376 0.169 0.000 0.000 0.000 3/27648 180.0 0.249 0.362 0.161 0.000 0.000 0.000 3/27648 190.0 0.238 0.350 0.153 0.000 0.000 0.000 3/27648 200.0 0.228 0.338 0.147 0.000 0.000 0.000 3/27648 210.0 0.218 0.327 0.140 0.000 0.000 0.000 3/27648 220.0 0.210 0.316 0.135 0.000 0.000 0.000 3/27648 230.0 0.202 0.306 0.129 0.000 0.000 0.000 3/27648 240.0 0.195 0.296 0.124 0.000 0.000 0.000 3/27648 250.0 0.188 0.287 0.120 0.000 0.000 0.000 3/27648 260.0 0.181 0.279 0.116 0.000 0.000 0.000 3/27648 270.0 0.175 0.271 0.112 0.000 0.000 0.000 3/27648 280.0 0.170 0.263 0.108 0.000 0.000 0.000 3/27648 290.0 0.164 0.255 0.105 0.000 0.000 0.000 3/27648 300.0 0.159 0.249 0.102 0.000 0.000 0.000 3/27648 310.0 0.155 0.242 0.099 0.000 0.000 0.000 3/27648 320.0 0.150 0.236 0.096 0.000 0.000 0.000 3/27648 330.0 0.146 0.229 0.093 0.000 0.000 0.000 3/27648 340.0 0.142 0.224 0.091 0.000 0.000 0.000 3/27648 350.0 0.138 0.218 0.088 0.000 0.000 0.000 3/27648 360.0 0.135 0.213 0.086 0.000 0.000 0.000 3/27648 370.0 0.131 0.208 0.084 0.000 0.000 0.000 3/27648 380.0 0.128 0.203 0.082 0.000 0.000 0.000 3/27648 390.0 0.125 0.198 0.080 0.000 0.000 0.000 3/27648 400.0 0.122 0.194 0.078 0.000 0.000 0.000 3/27648 410.0 0.119 0.190 0.076 0.000 0.000 0.000 3/27648 420.0 0.117 0.186 0.074 0.000 0.000 0.000 3/27648 430.0 0.114 0.182 0.073 0.000 0.000 0.000 3/27648 440.0 0.112 0.178 0.071 0.000 0.000 0.000 3/27648 450.0 0.109 0.174 0.070 0.000 0.000 0.000 3/27648 460.0 0.107 0.171 0.068 0.000 0.000 0.000 3/27648 470.0 0.105 0.168 0.067 0.000 0.000 0.000 3/27648 480.0 0.103 0.164 0.066 0.000 0.000 0.000 3/27648 490.0 0.101 0.161 0.064 0.000 0.000 0.000 3/27648 500.0 0.099 0.158 0.063 0.000 0.000 0.000 3/27648 510.0 0.097 0.155 0.062 0.000 0.000 0.000 3/27648 520.0 0.095 0.153 0.061 0.000 0.000 0.000 3/27648 530.0 0.094 0.150 0.060 0.000 0.000 0.000 3/27648 540.0 0.092 0.147 0.059 0.000 0.000 0.000 3/27648 550.0 0.090 0.145 0.058 0.000 0.000 0.000 3/27648 560.0 0.089 0.142 0.057 0.000 0.000 0.000 3/27648 570.0 0.087 0.140 0.056 0.000 0.000 0.000 3/27648 580.0 0.086 0.138 0.055 0.000 0.000 0.000 3/27648 590.0 0.084 0.136 0.054 0.000 0.000 0.000 3/27648 600.0 0.083 0.133 0.053 0.000 0.000 0.000 3/27648 610.0 0.082 0.131 0.052 0.000 0.000 0.000 3/27648 620.0 0.080 0.129 0.051 0.000 0.000 0.000 3/27648 630.0 0.079 0.127 0.050 0.000 0.000 0.000 3/27648 640.0 0.078 0.126 0.050 0.000 0.000 0.000 3/27648 650.0 0.077 0.124 0.049 0.000 0.000 0.000 3/27648 660.0 0.076 0.122 0.048 0.000 0.000 0.000 3/27648 670.0 0.075 0.120 0.048 0.000 0.000 0.000 3/27648 680.0 0.073 0.118 0.047 0.000 0.000 0.000 3/27648 690.0 0.072 0.117 0.046 0.000 0.000 0.000 3/27648 700.0 0.071 0.115 0.046 0.000 0.000 0.000 3/27648 710.0 0.070 0.114 0.045 0.000 0.000 0.000 3/27648 720.0 0.069 0.112 0.044 0.000 0.000 0.000 3/27648 730.0 0.069 0.111 0.044 0.000 0.000 0.000 3/27648 740.0 0.068 0.109 0.043 0.000 0.000 0.000 3/27648 750.0 0.067 0.108 0.043 0.000 0.000 0.000 3/27648 760.0 0.066 0.106 0.042 0.000 0.000 0.000 3/27648 770.0 0.065 0.105 0.042 0.000 0.000 0.000 3/27648 780.0 0.064 0.104 0.041 0.000 0.000 0.000 3/27648 790.0 0.063 0.102 0.040 0.000 0.000 0.000 3/27648 800.0 0.063 0.101 0.040 0.000 0.000 0.000 3/27648 810.0 0.062 0.100 0.039 0.000 0.000 0.000 3/27648 820.0 0.061 0.099 0.039 0.000 0.000 0.000 3/27648 830.0 0.060 0.098 0.039 0.000 0.000 0.000 3/27648 840.0 0.060 0.097 0.038 0.000 0.000 0.000 3/27648 850.0 0.059 0.095 0.038 0.000 0.000 0.000 3/27648 860.0 0.058 0.094 0.037 0.000 0.000 0.000 3/27648 870.0 0.058 0.093 0.037 0.000 0.000 0.000 3/27648 880.0 0.057 0.092 0.036 0.000 0.000 0.000 3/27648 890.0 0.056 0.091 0.036 0.000 0.000 0.000 3/27648 900.0 0.056 0.090 0.036 0.000 0.000 0.000 3/27648 910.0 0.055 0.089 0.035 0.000 0.000 0.000 3/27648 920.0 0.055 0.088 0.035 0.000 0.000 0.000 3/27648 930.0 0.054 0.087 0.034 0.000 0.000 0.000 3/27648 940.0 0.053 0.087 0.034 0.000 0.000 0.000 3/27648 950.0 0.053 0.086 0.034 0.000 0.000 0.000 3/27648 960.0 0.052 0.085 0.033 0.000 0.000 0.000 3/27648 970.0 0.052 0.084 0.033 0.000 0.000 0.000 3/27648 980.0 0.051 0.083 0.033 0.000 0.000 0.000 3/27648 990.0 0.051 0.082 0.032 0.000 0.000 0.000 3/27648 1000.0 0.050 0.081 0.032 0.000 0.000 0.000 3/27648 Thermal conductivity related properties were written into "kappa-m864.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 00:27:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|