----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 22:40:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 4 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.206112129999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.349217510000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.802274119999998 Atomic positions (fractional): *1 Ba 0.75332798538066 0.25000000000000 0.34951091835970 137.327 2 Ba 0.74667201461934 0.75000000000000 0.84951091835970 137.327 3 Ba 0.25332798538066 0.25000000000000 0.15048908164030 137.327 4 Ba 0.24667201461934 0.75000000000000 0.65048908164030 137.327 *5 Lu 0.92233527413186 0.25000000000000 0.60766203283806 174.967 *6 Lu 0.92757316896600 0.25000000000000 0.11004384792229 174.967 7 Lu 0.57242683103400 0.75000000000000 0.61004384792229 174.967 8 Lu 0.57766472586814 0.75000000000000 0.10766203283806 174.967 9 Lu 0.42233527413186 0.25000000000000 0.89233796716194 174.967 10 Lu 0.42757316896601 0.25000000000000 0.38995615207771 174.967 11 Lu 0.07242683103399 0.75000000000000 0.88995615207771 174.967 12 Lu 0.07766472586814 0.75000000000000 0.39233796716194 174.967 *13 O 0.98097086172142 0.75000000000000 0.71741608613058 15.999 *14 O 0.93190588340573 0.25000000000000 0.92619391504037 15.999 *15 O 0.88761750600586 0.75000000000000 0.48314005367508 15.999 *16 O 0.79048756147558 0.75000000000000 0.15295788787265 15.999 17 O 0.70951243852442 0.25000000000000 0.65295788787265 15.999 18 O 0.61238249399414 0.25000000000000 0.98314005367508 15.999 19 O 0.56809411659427 0.75000000000000 0.42619391504037 15.999 20 O 0.51902913827858 0.25000000000000 0.21741608613058 15.999 21 O 0.48097086172142 0.75000000000000 0.78258391386942 15.999 22 O 0.43190588340573 0.25000000000000 0.57380608495963 15.999 23 O 0.38761750600586 0.75000000000000 0.01685994632492 15.999 24 O 0.29048756147558 0.75000000000000 0.34704211212734 15.999 25 O 0.20951243852442 0.25000000000000 0.84704211212735 15.999 26 O 0.11238249399414 0.25000000000000 0.51685994632492 15.999 27 O 0.06809411659427 0.75000000000000 0.07380608495963 15.999 28 O 0.01902913827858 0.25000000000000 0.28258391386942 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.206112129999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.349217510000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.802274119999998 Atomic positions (fractional): *1 Ba 0.75332798538066 0.25000000000000 0.34951091835970 137.327 > 1 2 Ba 0.74667201461934 0.75000000000000 0.84951091835970 137.327 > 2 3 Ba 0.25332798538066 0.25000000000000 0.15048908164030 137.327 > 3 4 Ba 0.24667201461934 0.75000000000000 0.65048908164030 137.327 > 4 *5 Lu 0.92233527413186 0.25000000000000 0.60766203283806 174.967 > 5 *6 Lu 0.92757316896600 0.25000000000000 0.11004384792229 174.967 > 6 7 Lu 0.57242683103400 0.75000000000000 0.61004384792229 174.967 > 7 8 Lu 0.57766472586814 0.75000000000000 0.10766203283806 174.967 > 8 9 Lu 0.42233527413186 0.25000000000000 0.89233796716194 174.967 > 9 10 Lu 0.42757316896601 0.25000000000000 0.38995615207771 174.967 > 10 11 Lu 0.07242683103399 0.75000000000000 0.88995615207771 174.967 > 11 12 Lu 0.07766472586814 0.75000000000000 0.39233796716194 174.967 > 12 *13 O 0.98097086172142 0.75000000000000 0.71741608613058 15.999 > 13 *14 O 0.93190588340573 0.25000000000000 0.92619391504037 15.999 > 14 *15 O 0.88761750600586 0.75000000000000 0.48314005367508 15.999 > 15 *16 O 0.79048756147558 0.75000000000000 0.15295788787265 15.999 > 16 17 O 0.70951243852442 0.25000000000000 0.65295788787265 15.999 > 17 18 O 0.61238249399414 0.25000000000000 0.98314005367508 15.999 > 18 19 O 0.56809411659427 0.75000000000000 0.42619391504037 15.999 > 19 20 O 0.51902913827858 0.25000000000000 0.21741608613058 15.999 > 20 21 O 0.48097086172142 0.75000000000000 0.78258391386942 15.999 > 21 22 O 0.43190588340573 0.25000000000000 0.57380608495963 15.999 > 22 23 O 0.38761750600586 0.75000000000000 0.01685994632492 15.999 > 23 24 O 0.29048756147558 0.75000000000000 0.34704211212734 15.999 > 24 25 O 0.20951243852442 0.25000000000000 0.84704211212735 15.999 > 25 26 O 0.11238249399414 0.25000000000000 0.51685994632492 15.999 > 26 27 O 0.06809411659427 0.75000000000000 0.07380608495963 15.999 > 27 28 O 0.01902913827858 0.25000000000000 0.28258391386942 15.999 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.206112129999999 0.000000000000000 0.000000000000000 b 0.000000000000000 13.396870040000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.802274119999998 Atomic positions (fractional): *1 Ba 0.75332798538066 0.06250000000000 0.34951091835970 137.327 > 1 2 Ba 0.75332798538066 0.31250000000000 0.34951091835970 137.327 > 1 3 Ba 0.75332798538066 0.56250000000000 0.34951091835970 137.327 > 1 4 Ba 0.75332798538066 0.81250000000000 0.34951091835970 137.327 > 1 5 Ba 0.74667201461934 0.18750000000000 0.84951091835970 137.327 > 2 6 Ba 0.74667201461934 0.43750000000000 0.84951091835970 137.327 > 2 7 Ba 0.74667201461934 0.68750000000000 0.84951091835970 137.327 > 2 8 Ba 0.74667201461934 0.93750000000000 0.84951091835970 137.327 > 2 9 Ba 0.25332798538066 0.06250000000000 0.15048908164030 137.327 > 3 10 Ba 0.25332798538066 0.31250000000000 0.15048908164030 137.327 > 3 11 Ba 0.25332798538066 0.56250000000000 0.15048908164030 137.327 > 3 12 Ba 0.25332798538066 0.81250000000000 0.15048908164030 137.327 > 3 13 Ba 0.24667201461934 0.18750000000000 0.65048908164030 137.327 > 4 14 Ba 0.24667201461934 0.43750000000000 0.65048908164030 137.327 > 4 15 Ba 0.24667201461934 0.68750000000000 0.65048908164030 137.327 > 4 16 Ba 0.24667201461934 0.93750000000000 0.65048908164030 137.327 > 4 *17 Lu 0.92233527413186 0.06250000000000 0.60766203283806 174.967 > 5 18 Lu 0.92233527413186 0.31250000000000 0.60766203283806 174.967 > 5 19 Lu 0.92233527413186 0.56250000000000 0.60766203283806 174.967 > 5 20 Lu 0.92233527413186 0.81250000000000 0.60766203283806 174.967 > 5 *21 Lu 0.92757316896600 0.06250000000000 0.11004384792229 174.967 > 6 22 Lu 0.92757316896600 0.31250000000000 0.11004384792229 174.967 > 6 23 Lu 0.92757316896600 0.56250000000000 0.11004384792229 174.967 > 6 24 Lu 0.92757316896600 0.81250000000000 0.11004384792229 174.967 > 6 25 Lu 0.57242683103400 0.18750000000000 0.61004384792229 174.967 > 7 26 Lu 0.57242683103400 0.43750000000000 0.61004384792229 174.967 > 7 27 Lu 0.57242683103400 0.68750000000000 0.61004384792229 174.967 > 7 28 Lu 0.57242683103400 0.93750000000000 0.61004384792229 174.967 > 7 29 Lu 0.57766472586814 0.18750000000000 0.10766203283806 174.967 > 8 30 Lu 0.57766472586814 0.43750000000000 0.10766203283806 174.967 > 8 31 Lu 0.57766472586814 0.68750000000000 0.10766203283806 174.967 > 8 32 Lu 0.57766472586814 0.93750000000000 0.10766203283806 174.967 > 8 33 Lu 0.42233527413186 0.06250000000000 0.89233796716194 174.967 > 9 34 Lu 0.42233527413186 0.31250000000000 0.89233796716194 174.967 > 9 35 Lu 0.42233527413186 0.56250000000000 0.89233796716194 174.967 > 9 36 Lu 0.42233527413186 0.81250000000000 0.89233796716194 174.967 > 9 37 Lu 0.42757316896601 0.06250000000000 0.38995615207771 174.967 > 10 38 Lu 0.42757316896601 0.31250000000000 0.38995615207771 174.967 > 10 39 Lu 0.42757316896601 0.56250000000000 0.38995615207771 174.967 > 10 40 Lu 0.42757316896601 0.81250000000000 0.38995615207771 174.967 > 10 41 Lu 0.07242683103399 0.18750000000000 0.88995615207771 174.967 > 11 42 Lu 0.07242683103399 0.43750000000000 0.88995615207771 174.967 > 11 43 Lu 0.07242683103399 0.68750000000000 0.88995615207771 174.967 > 11 44 Lu 0.07242683103399 0.93750000000000 0.88995615207771 174.967 > 11 45 Lu 0.07766472586814 0.18750000000000 0.39233796716194 174.967 > 12 46 Lu 0.07766472586814 0.43750000000000 0.39233796716194 174.967 > 12 47 Lu 0.07766472586814 0.68750000000000 0.39233796716194 174.967 > 12 48 Lu 0.07766472586814 0.93750000000000 0.39233796716194 174.967 > 12 *49 O 0.98097086172142 0.18750000000000 0.71741608613058 15.999 > 13 50 O 0.98097086172142 0.43750000000000 0.71741608613058 15.999 > 13 51 O 0.98097086172142 0.68750000000000 0.71741608613058 15.999 > 13 52 O 0.98097086172142 0.93750000000000 0.71741608613058 15.999 > 13 *53 O 0.93190588340573 0.06250000000000 0.92619391504037 15.999 > 14 54 O 0.93190588340573 0.31250000000000 0.92619391504037 15.999 > 14 55 O 0.93190588340573 0.56250000000000 0.92619391504037 15.999 > 14 56 O 0.93190588340573 0.81250000000000 0.92619391504037 15.999 > 14 *57 O 0.88761750600586 0.18750000000000 0.48314005367508 15.999 > 15 58 O 0.88761750600586 0.43750000000000 0.48314005367508 15.999 > 15 59 O 0.88761750600586 0.68750000000000 0.48314005367508 15.999 > 15 60 O 0.88761750600586 0.93750000000000 0.48314005367508 15.999 > 15 *61 O 0.79048756147558 0.18750000000000 0.15295788787265 15.999 > 16 62 O 0.79048756147558 0.43750000000000 0.15295788787265 15.999 > 16 63 O 0.79048756147558 0.68750000000000 0.15295788787265 15.999 > 16 64 O 0.79048756147558 0.93750000000000 0.15295788787265 15.999 > 16 65 O 0.70951243852442 0.06250000000000 0.65295788787265 15.999 > 17 66 O 0.70951243852442 0.31250000000000 0.65295788787265 15.999 > 17 67 O 0.70951243852442 0.56250000000000 0.65295788787265 15.999 > 17 68 O 0.70951243852442 0.81250000000000 0.65295788787265 15.999 > 17 69 O 0.61238249399414 0.06250000000000 0.98314005367508 15.999 > 18 70 O 0.61238249399414 0.31250000000000 0.98314005367508 15.999 > 18 71 O 0.61238249399414 0.56250000000000 0.98314005367508 15.999 > 18 72 O 0.61238249399414 0.81250000000000 0.98314005367508 15.999 > 18 73 O 0.56809411659427 0.18750000000000 0.42619391504037 15.999 > 19 74 O 0.56809411659427 0.43750000000000 0.42619391504037 15.999 > 19 75 O 0.56809411659427 0.68750000000000 0.42619391504037 15.999 > 19 76 O 0.56809411659427 0.93750000000000 0.42619391504037 15.999 > 19 77 O 0.51902913827858 0.06250000000000 0.21741608613058 15.999 > 20 78 O 0.51902913827858 0.31250000000000 0.21741608613058 15.999 > 20 79 O 0.51902913827858 0.56250000000000 0.21741608613058 15.999 > 20 80 O 0.51902913827858 0.81250000000000 0.21741608613058 15.999 > 20 81 O 0.48097086172142 0.18750000000000 0.78258391386942 15.999 > 21 82 O 0.48097086172142 0.43750000000000 0.78258391386942 15.999 > 21 83 O 0.48097086172142 0.68750000000000 0.78258391386942 15.999 > 21 84 O 0.48097086172142 0.93750000000000 0.78258391386942 15.999 > 21 85 O 0.43190588340573 0.06250000000000 0.57380608495963 15.999 > 22 86 O 0.43190588340573 0.31250000000000 0.57380608495963 15.999 > 22 87 O 0.43190588340573 0.56250000000000 0.57380608495963 15.999 > 22 88 O 0.43190588340573 0.81250000000000 0.57380608495963 15.999 > 22 89 O 0.38761750600586 0.18750000000000 0.01685994632492 15.999 > 23 90 O 0.38761750600586 0.43750000000000 0.01685994632492 15.999 > 23 91 O 0.38761750600586 0.68750000000000 0.01685994632492 15.999 > 23 92 O 0.38761750600586 0.93750000000000 0.01685994632492 15.999 > 23 93 O 0.29048756147558 0.18750000000000 0.34704211212734 15.999 > 24 94 O 0.29048756147558 0.43750000000000 0.34704211212734 15.999 > 24 95 O 0.29048756147558 0.68750000000000 0.34704211212734 15.999 > 24 96 O 0.29048756147558 0.93750000000000 0.34704211212734 15.999 > 24 97 O 0.20951243852442 0.06250000000000 0.84704211212735 15.999 > 25 98 O 0.20951243852442 0.31250000000000 0.84704211212735 15.999 > 25 99 O 0.20951243852442 0.56250000000000 0.84704211212735 15.999 > 25 100 O 0.20951243852442 0.81250000000000 0.84704211212735 15.999 > 25 101 O 0.11238249399414 0.06250000000000 0.51685994632492 15.999 > 26 102 O 0.11238249399414 0.31250000000000 0.51685994632492 15.999 > 26 103 O 0.11238249399414 0.56250000000000 0.51685994632492 15.999 > 26 104 O 0.11238249399414 0.81250000000000 0.51685994632492 15.999 > 26 105 O 0.06809411659427 0.18750000000000 0.07380608495963 15.999 > 27 106 O 0.06809411659427 0.43750000000000 0.07380608495963 15.999 > 27 107 O 0.06809411659427 0.68750000000000 0.07380608495963 15.999 > 27 108 O 0.06809411659427 0.93750000000000 0.07380608495963 15.999 > 27 109 O 0.01902913827858 0.06250000000000 0.28258391386942 15.999 > 28 110 O 0.01902913827858 0.31250000000000 0.28258391386942 15.999 > 28 111 O 0.01902913827858 0.56250000000000 0.28258391386942 15.999 > 28 112 O 0.01902913827858 0.81250000000000 0.28258391386942 15.999 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.3048462 0.0000000 0.0000000 0.0000000 4.4116592 0.0000000 0.0000000 0.0000000 4.2914697 -------------------------- Born effective charges -------------------------- 1 Ba 2.9366923 0.0000000 0.1055145 0.0000000 2.5143874 0.0000000 0.1015667 0.0000000 2.6034028 2 Ba 2.9366923 0.0000000 -0.1055145 0.0000000 2.5143874 0.0000000 -0.1015667 0.0000000 2.6034028 3 Ba 2.9366923 0.0000000 -0.1055145 0.0000000 2.5143874 0.0000000 -0.1015667 0.0000000 2.6034028 4 Ba 2.9366923 0.0000000 0.1055145 0.0000000 2.5143874 0.0000000 0.1015667 0.0000000 2.6034028 5 Lu 3.5161068 0.0000000 -0.2047021 0.0000000 4.0664051 0.0000000 -0.1504357 0.0000000 3.5100408 6 Lu 3.4740888 0.0000000 -0.1283459 0.0000000 3.9574717 0.0000000 -0.1588855 0.0000000 3.8473468 7 Lu 3.4740888 0.0000000 0.1283459 0.0000000 3.9574717 0.0000000 0.1588855 0.0000000 3.8473468 8 Lu 3.5161068 0.0000000 0.2047021 0.0000000 4.0664051 0.0000000 0.1504357 0.0000000 3.5100408 9 Lu 3.5161068 0.0000000 0.2047021 0.0000000 4.0664051 0.0000000 0.1504357 0.0000000 3.5100408 10 Lu 3.4740888 0.0000000 0.1283459 0.0000000 3.9574717 0.0000000 0.1588855 0.0000000 3.8473468 11 Lu 3.4740888 0.0000000 -0.1283459 0.0000000 3.9574717 0.0000000 -0.1588855 0.0000000 3.8473468 12 Lu 3.5161068 0.0000000 -0.2047021 0.0000000 4.0664051 0.0000000 -0.1504357 0.0000000 3.5100408 13 O -2.1843557 0.0000000 -0.2387049 0.0000000 -2.4342072 0.0000000 -0.3523335 0.0000000 -2.9220915 14 O -2.4858793 0.0000000 -0.1640349 0.0000000 -2.7317301 0.0000000 0.0148603 0.0000000 -2.4615832 15 O -2.3796550 0.0000000 -0.1080877 0.0000000 -2.7268930 0.0000000 -0.1383244 0.0000000 -2.5098652 16 O -2.8769980 0.0000000 0.0921090 0.0000000 -2.6454339 0.0000000 0.0751497 0.0000000 -2.0672504 17 O -2.8769980 0.0000000 -0.0921090 0.0000000 -2.6454339 0.0000000 -0.0751497 0.0000000 -2.0672504 18 O -2.3796550 0.0000000 0.1080877 0.0000000 -2.7268930 0.0000000 0.1383244 0.0000000 -2.5098652 19 O -2.4858793 0.0000000 0.1640349 0.0000000 -2.7317301 0.0000000 -0.0148603 0.0000000 -2.4615832 20 O -2.1843557 0.0000000 0.2387049 0.0000000 -2.4342072 0.0000000 0.3523335 0.0000000 -2.9220915 21 O -2.1843557 0.0000000 0.2387049 0.0000000 -2.4342072 0.0000000 0.3523335 0.0000000 -2.9220915 22 O -2.4858793 0.0000000 0.1640349 0.0000000 -2.7317301 0.0000000 -0.0148603 0.0000000 -2.4615832 23 O -2.3796550 0.0000000 0.1080877 0.0000000 -2.7268930 0.0000000 0.1383244 0.0000000 -2.5098652 24 O -2.8769980 0.0000000 -0.0921090 0.0000000 -2.6454339 0.0000000 -0.0751497 0.0000000 -2.0672504 25 O -2.8769980 0.0000000 0.0921090 0.0000000 -2.6454339 0.0000000 0.0751497 0.0000000 -2.0672504 26 O -2.3796550 0.0000000 -0.1080877 0.0000000 -2.7268930 0.0000000 -0.1383244 0.0000000 -2.5098652 27 O -2.4858793 0.0000000 -0.1640349 0.0000000 -2.7317301 0.0000000 0.0148603 0.0000000 -2.4615832 28 O -2.1843557 0.0000000 -0.2387049 0.0000000 -2.4342072 0.0000000 -0.3523335 0.0000000 -2.9220915 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1918 Number of blocks in projector: 1918 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: 490 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 294 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 294 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 280 Use standard eigh solver. Tree of FC basis block matrices: - (1918, 1883), data: False |-- (280, 273), data: True |-- (280, 273), data: True |-- (280, 273), data: True |-- (294, 294), data: True |-- (294, 294), data: True |-- (490, 476), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 3.099 Solver_block: 200 / 480 - Time: 3.123 Solver_block: 300 / 480 - Time: 3.125 Solver_block: 400 / 480 - Time: 3.120 Solver_block: 480 / 480 - Time: 2.537 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 15.063 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1918 Number of blocks in projector: 1918 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: 490 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 294 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 294 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 280 Use standard eigh solver. Tree of FC basis block matrices: - (1918, 1883), data: False |-- (280, 273), data: True |-- (280, 273), data: True |-- (280, 273), data: True |-- (294, 294), data: True |-- (294, 294), data: True |-- (490, 476), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 22:40:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 22:40:55]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 4 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.206112129999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.349217510000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.802274119999998 Atomic positions (fractional): 1 Ba 0.75332798538066 0.25000000000000 0.34951091835970 137.327 2 Ba 0.74667201461934 0.75000000000000 0.84951091835970 137.327 3 Ba 0.25332798538066 0.25000000000000 0.15048908164030 137.327 4 Ba 0.24667201461934 0.75000000000000 0.65048908164030 137.327 5 Lu 0.92233527413186 0.25000000000000 0.60766203283806 174.967 6 Lu 0.92757316896600 0.25000000000000 0.11004384792229 174.967 7 Lu 0.57242683103400 0.75000000000000 0.61004384792229 174.967 8 Lu 0.57766472586814 0.75000000000000 0.10766203283806 174.967 9 Lu 0.42233527413186 0.25000000000000 0.89233796716194 174.967 10 Lu 0.42757316896601 0.25000000000000 0.38995615207771 174.967 11 Lu 0.07242683103399 0.75000000000000 0.88995615207771 174.967 12 Lu 0.07766472586814 0.75000000000000 0.39233796716194 174.967 13 O 0.98097086172142 0.75000000000000 0.71741608613058 15.999 14 O 0.93190588340573 0.25000000000000 0.92619391504037 15.999 15 O 0.88761750600586 0.75000000000000 0.48314005367508 15.999 16 O 0.79048756147558 0.75000000000000 0.15295788787265 15.999 17 O 0.70951243852442 0.25000000000000 0.65295788787265 15.999 18 O 0.61238249399414 0.25000000000000 0.98314005367508 15.999 19 O 0.56809411659427 0.75000000000000 0.42619391504037 15.999 20 O 0.51902913827858 0.25000000000000 0.21741608613058 15.999 21 O 0.48097086172142 0.75000000000000 0.78258391386942 15.999 22 O 0.43190588340573 0.25000000000000 0.57380608495963 15.999 23 O 0.38761750600586 0.75000000000000 0.01685994632492 15.999 24 O 0.29048756147558 0.75000000000000 0.34704211212734 15.999 25 O 0.20951243852442 0.25000000000000 0.84704211212735 15.999 26 O 0.11238249399414 0.25000000000000 0.51685994632492 15.999 27 O 0.06809411659427 0.75000000000000 0.07380608495963 15.999 28 O 0.01902913827858 0.25000000000000 0.28258391386942 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.206112129999999 0.000000000000000 0.000000000000000 b 0.000000000000000 13.396870040000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.802274119999998 Atomic positions (fractional): 1 Ba 0.75332798538066 0.06250000000000 0.34951091835970 137.327 > 1 2 Ba 0.75332798538066 0.31250000000000 0.34951091835970 137.327 > 1 3 Ba 0.75332798538066 0.56250000000000 0.34951091835970 137.327 > 1 4 Ba 0.75332798538066 0.81250000000000 0.34951091835970 137.327 > 1 5 Ba 0.74667201461934 0.18750000000000 0.84951091835970 137.327 > 5 6 Ba 0.74667201461934 0.43750000000000 0.84951091835970 137.327 > 5 7 Ba 0.74667201461934 0.68750000000000 0.84951091835970 137.327 > 5 8 Ba 0.74667201461934 0.93750000000000 0.84951091835970 137.327 > 5 9 Ba 0.25332798538066 0.06250000000000 0.15048908164030 137.327 > 9 10 Ba 0.25332798538066 0.31250000000000 0.15048908164030 137.327 > 9 11 Ba 0.25332798538066 0.56250000000000 0.15048908164030 137.327 > 9 12 Ba 0.25332798538066 0.81250000000000 0.15048908164030 137.327 > 9 13 Ba 0.24667201461934 0.18750000000000 0.65048908164030 137.327 > 13 14 Ba 0.24667201461934 0.43750000000000 0.65048908164030 137.327 > 13 15 Ba 0.24667201461934 0.68750000000000 0.65048908164030 137.327 > 13 16 Ba 0.24667201461934 0.93750000000000 0.65048908164030 137.327 > 13 17 Lu 0.92233527413186 0.06250000000000 0.60766203283806 174.967 > 17 18 Lu 0.92233527413186 0.31250000000000 0.60766203283806 174.967 > 17 19 Lu 0.92233527413186 0.56250000000000 0.60766203283806 174.967 > 17 20 Lu 0.92233527413186 0.81250000000000 0.60766203283806 174.967 > 17 21 Lu 0.92757316896600 0.06250000000000 0.11004384792229 174.967 > 21 22 Lu 0.92757316896600 0.31250000000000 0.11004384792229 174.967 > 21 23 Lu 0.92757316896600 0.56250000000000 0.11004384792229 174.967 > 21 24 Lu 0.92757316896600 0.81250000000000 0.11004384792229 174.967 > 21 25 Lu 0.57242683103400 0.18750000000000 0.61004384792229 174.967 > 25 26 Lu 0.57242683103400 0.43750000000000 0.61004384792229 174.967 > 25 27 Lu 0.57242683103400 0.68750000000000 0.61004384792229 174.967 > 25 28 Lu 0.57242683103400 0.93750000000000 0.61004384792229 174.967 > 25 29 Lu 0.57766472586814 0.18750000000000 0.10766203283806 174.967 > 29 30 Lu 0.57766472586814 0.43750000000000 0.10766203283806 174.967 > 29 31 Lu 0.57766472586814 0.68750000000000 0.10766203283806 174.967 > 29 32 Lu 0.57766472586814 0.93750000000000 0.10766203283806 174.967 > 29 33 Lu 0.42233527413186 0.06250000000000 0.89233796716194 174.967 > 33 34 Lu 0.42233527413186 0.31250000000000 0.89233796716194 174.967 > 33 35 Lu 0.42233527413186 0.56250000000000 0.89233796716194 174.967 > 33 36 Lu 0.42233527413186 0.81250000000000 0.89233796716194 174.967 > 33 37 Lu 0.42757316896601 0.06250000000000 0.38995615207771 174.967 > 37 38 Lu 0.42757316896601 0.31250000000000 0.38995615207771 174.967 > 37 39 Lu 0.42757316896601 0.56250000000000 0.38995615207771 174.967 > 37 40 Lu 0.42757316896601 0.81250000000000 0.38995615207771 174.967 > 37 41 Lu 0.07242683103399 0.18750000000000 0.88995615207771 174.967 > 41 42 Lu 0.07242683103399 0.43750000000000 0.88995615207771 174.967 > 41 43 Lu 0.07242683103399 0.68750000000000 0.88995615207771 174.967 > 41 44 Lu 0.07242683103399 0.93750000000000 0.88995615207771 174.967 > 41 45 Lu 0.07766472586814 0.18750000000000 0.39233796716194 174.967 > 45 46 Lu 0.07766472586814 0.43750000000000 0.39233796716194 174.967 > 45 47 Lu 0.07766472586814 0.68750000000000 0.39233796716194 174.967 > 45 48 Lu 0.07766472586814 0.93750000000000 0.39233796716194 174.967 > 45 49 O 0.98097086172142 0.18750000000000 0.71741608613058 15.999 > 49 50 O 0.98097086172142 0.43750000000000 0.71741608613058 15.999 > 49 51 O 0.98097086172142 0.68750000000000 0.71741608613058 15.999 > 49 52 O 0.98097086172142 0.93750000000000 0.71741608613058 15.999 > 49 53 O 0.93190588340573 0.06250000000000 0.92619391504037 15.999 > 53 54 O 0.93190588340573 0.31250000000000 0.92619391504037 15.999 > 53 55 O 0.93190588340573 0.56250000000000 0.92619391504037 15.999 > 53 56 O 0.93190588340573 0.81250000000000 0.92619391504037 15.999 > 53 57 O 0.88761750600586 0.18750000000000 0.48314005367508 15.999 > 57 58 O 0.88761750600586 0.43750000000000 0.48314005367508 15.999 > 57 59 O 0.88761750600586 0.68750000000000 0.48314005367508 15.999 > 57 60 O 0.88761750600586 0.93750000000000 0.48314005367508 15.999 > 57 61 O 0.79048756147558 0.18750000000000 0.15295788787265 15.999 > 61 62 O 0.79048756147558 0.43750000000000 0.15295788787265 15.999 > 61 63 O 0.79048756147558 0.68750000000000 0.15295788787265 15.999 > 61 64 O 0.79048756147558 0.93750000000000 0.15295788787265 15.999 > 61 65 O 0.70951243852442 0.06250000000000 0.65295788787265 15.999 > 65 66 O 0.70951243852442 0.31250000000000 0.65295788787265 15.999 > 65 67 O 0.70951243852442 0.56250000000000 0.65295788787265 15.999 > 65 68 O 0.70951243852442 0.81250000000000 0.65295788787265 15.999 > 65 69 O 0.61238249399414 0.06250000000000 0.98314005367508 15.999 > 69 70 O 0.61238249399414 0.31250000000000 0.98314005367508 15.999 > 69 71 O 0.61238249399414 0.56250000000000 0.98314005367508 15.999 > 69 72 O 0.61238249399414 0.81250000000000 0.98314005367508 15.999 > 69 73 O 0.56809411659427 0.18750000000000 0.42619391504037 15.999 > 73 74 O 0.56809411659427 0.43750000000000 0.42619391504037 15.999 > 73 75 O 0.56809411659427 0.68750000000000 0.42619391504037 15.999 > 73 76 O 0.56809411659427 0.93750000000000 0.42619391504037 15.999 > 73 77 O 0.51902913827858 0.06250000000000 0.21741608613058 15.999 > 77 78 O 0.51902913827858 0.31250000000000 0.21741608613058 15.999 > 77 79 O 0.51902913827858 0.56250000000000 0.21741608613058 15.999 > 77 80 O 0.51902913827858 0.81250000000000 0.21741608613058 15.999 > 77 81 O 0.48097086172142 0.18750000000000 0.78258391386942 15.999 > 81 82 O 0.48097086172142 0.43750000000000 0.78258391386942 15.999 > 81 83 O 0.48097086172142 0.68750000000000 0.78258391386942 15.999 > 81 84 O 0.48097086172142 0.93750000000000 0.78258391386942 15.999 > 81 85 O 0.43190588340573 0.06250000000000 0.57380608495963 15.999 > 85 86 O 0.43190588340573 0.31250000000000 0.57380608495963 15.999 > 85 87 O 0.43190588340573 0.56250000000000 0.57380608495963 15.999 > 85 88 O 0.43190588340573 0.81250000000000 0.57380608495963 15.999 > 85 89 O 0.38761750600586 0.18750000000000 0.01685994632492 15.999 > 89 90 O 0.38761750600586 0.43750000000000 0.01685994632492 15.999 > 89 91 O 0.38761750600586 0.68750000000000 0.01685994632492 15.999 > 89 92 O 0.38761750600586 0.93750000000000 0.01685994632492 15.999 > 89 93 O 0.29048756147558 0.18750000000000 0.34704211212734 15.999 > 93 94 O 0.29048756147558 0.43750000000000 0.34704211212734 15.999 > 93 95 O 0.29048756147558 0.68750000000000 0.34704211212734 15.999 > 93 96 O 0.29048756147558 0.93750000000000 0.34704211212734 15.999 > 93 97 O 0.20951243852442 0.06250000000000 0.84704211212735 15.999 > 97 98 O 0.20951243852442 0.31250000000000 0.84704211212735 15.999 > 97 99 O 0.20951243852442 0.56250000000000 0.84704211212735 15.999 > 97 100 O 0.20951243852442 0.81250000000000 0.84704211212735 15.999 > 97 101 O 0.11238249399414 0.06250000000000 0.51685994632492 15.999 > 101 102 O 0.11238249399414 0.31250000000000 0.51685994632492 15.999 > 101 103 O 0.11238249399414 0.56250000000000 0.51685994632492 15.999 > 101 104 O 0.11238249399414 0.81250000000000 0.51685994632492 15.999 > 101 105 O 0.06809411659427 0.18750000000000 0.07380608495963 15.999 > 105 106 O 0.06809411659427 0.43750000000000 0.07380608495963 15.999 > 105 107 O 0.06809411659427 0.68750000000000 0.07380608495963 15.999 > 105 108 O 0.06809411659427 0.93750000000000 0.07380608495963 15.999 > 105 109 O 0.01902913827858 0.06250000000000 0.28258391386942 15.999 > 109 110 O 0.01902913827858 0.31250000000000 0.28258391386942 15.999 > 109 111 O 0.01902913827858 0.56250000000000 0.28258391386942 15.999 > 109 112 O 0.01902913827858 0.81250000000000 0.28258391386942 15.999 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.3048462 0.0000000 0.0000000 0.0000000 4.4116592 0.0000000 0.0000000 0.0000000 4.2914697 -------------------------- Born effective charges -------------------------- 1 Ba 2.9366923 0.0000000 0.1055145 0.0000000 2.5143874 0.0000000 0.1015667 0.0000000 2.6034028 2 Ba 2.9366923 0.0000000 -0.1055145 0.0000000 2.5143874 0.0000000 -0.1015667 0.0000000 2.6034028 3 Ba 2.9366923 0.0000000 -0.1055145 0.0000000 2.5143874 0.0000000 -0.1015667 0.0000000 2.6034028 4 Ba 2.9366923 0.0000000 0.1055145 0.0000000 2.5143874 0.0000000 0.1015667 0.0000000 2.6034028 5 Lu 3.5161068 0.0000000 -0.2047021 0.0000000 4.0664051 0.0000000 -0.1504357 0.0000000 3.5100408 6 Lu 3.4740888 0.0000000 -0.1283459 0.0000000 3.9574717 0.0000000 -0.1588855 0.0000000 3.8473468 7 Lu 3.4740888 0.0000000 0.1283459 0.0000000 3.9574717 0.0000000 0.1588855 0.0000000 3.8473468 8 Lu 3.5161068 0.0000000 0.2047021 0.0000000 4.0664051 0.0000000 0.1504357 0.0000000 3.5100408 9 Lu 3.5161068 0.0000000 0.2047021 0.0000000 4.0664051 0.0000000 0.1504357 0.0000000 3.5100408 10 Lu 3.4740888 0.0000000 0.1283459 0.0000000 3.9574717 0.0000000 0.1588855 0.0000000 3.8473468 11 Lu 3.4740888 0.0000000 -0.1283459 0.0000000 3.9574717 0.0000000 -0.1588855 0.0000000 3.8473468 12 Lu 3.5161068 0.0000000 -0.2047021 0.0000000 4.0664051 0.0000000 -0.1504357 0.0000000 3.5100408 13 O -2.1843557 0.0000000 -0.2387049 0.0000000 -2.4342072 0.0000000 -0.3523335 0.0000000 -2.9220915 14 O -2.4858793 0.0000000 -0.1640349 0.0000000 -2.7317301 0.0000000 0.0148603 0.0000000 -2.4615832 15 O -2.3796550 0.0000000 -0.1080877 0.0000000 -2.7268930 0.0000000 -0.1383244 0.0000000 -2.5098652 16 O -2.8769980 0.0000000 0.0921090 0.0000000 -2.6454339 0.0000000 0.0751497 0.0000000 -2.0672504 17 O -2.8769980 0.0000000 -0.0921090 0.0000000 -2.6454339 0.0000000 -0.0751497 0.0000000 -2.0672504 18 O -2.3796550 0.0000000 0.1080877 0.0000000 -2.7268930 0.0000000 0.1383244 0.0000000 -2.5098652 19 O -2.4858793 0.0000000 0.1640349 0.0000000 -2.7317301 0.0000000 -0.0148603 0.0000000 -2.4615832 20 O -2.1843557 0.0000000 0.2387049 0.0000000 -2.4342072 0.0000000 0.3523335 0.0000000 -2.9220915 21 O -2.1843557 0.0000000 0.2387049 0.0000000 -2.4342072 0.0000000 0.3523335 0.0000000 -2.9220915 22 O -2.4858793 0.0000000 0.1640349 0.0000000 -2.7317301 0.0000000 -0.0148603 0.0000000 -2.4615832 23 O -2.3796550 0.0000000 0.1080877 0.0000000 -2.7268930 0.0000000 0.1383244 0.0000000 -2.5098652 24 O -2.8769980 0.0000000 -0.0921090 0.0000000 -2.6454339 0.0000000 -0.0751497 0.0000000 -2.0672504 25 O -2.8769980 0.0000000 0.0921090 0.0000000 -2.6454339 0.0000000 0.0751497 0.0000000 -2.0672504 26 O -2.3796550 0.0000000 -0.1080877 0.0000000 -2.7268930 0.0000000 -0.1383244 0.0000000 -2.5098652 27 O -2.4858793 0.0000000 -0.1640349 0.0000000 -2.7317301 0.0000000 0.0148603 0.0000000 -2.4615832 28 O -2.1843557 0.0000000 -0.2387049 0.0000000 -2.4342072 0.0000000 -0.3523335 0.0000000 -2.9220915 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 21, 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[ 53, 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[ 57, 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[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 22:41:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 22:41:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 4 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.206112129999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.349217510000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.802274119999998 Atomic positions (fractional): 1 Ba 0.75332798538066 0.25000000000000 0.34951091835970 137.327 2 Ba 0.74667201461934 0.75000000000000 0.84951091835970 137.327 3 Ba 0.25332798538066 0.25000000000000 0.15048908164030 137.327 4 Ba 0.24667201461934 0.75000000000000 0.65048908164030 137.327 5 Lu 0.92233527413186 0.25000000000000 0.60766203283806 174.967 6 Lu 0.92757316896600 0.25000000000000 0.11004384792229 174.967 7 Lu 0.57242683103400 0.75000000000000 0.61004384792229 174.967 8 Lu 0.57766472586814 0.75000000000000 0.10766203283806 174.967 9 Lu 0.42233527413186 0.25000000000000 0.89233796716194 174.967 10 Lu 0.42757316896601 0.25000000000000 0.38995615207771 174.967 11 Lu 0.07242683103399 0.75000000000000 0.88995615207771 174.967 12 Lu 0.07766472586814 0.75000000000000 0.39233796716194 174.967 13 O 0.98097086172142 0.75000000000000 0.71741608613058 15.999 14 O 0.93190588340573 0.25000000000000 0.92619391504037 15.999 15 O 0.88761750600586 0.75000000000000 0.48314005367508 15.999 16 O 0.79048756147558 0.75000000000000 0.15295788787265 15.999 17 O 0.70951243852442 0.25000000000000 0.65295788787265 15.999 18 O 0.61238249399414 0.25000000000000 0.98314005367508 15.999 19 O 0.56809411659427 0.75000000000000 0.42619391504037 15.999 20 O 0.51902913827858 0.25000000000000 0.21741608613058 15.999 21 O 0.48097086172142 0.75000000000000 0.78258391386942 15.999 22 O 0.43190588340573 0.25000000000000 0.57380608495963 15.999 23 O 0.38761750600586 0.75000000000000 0.01685994632492 15.999 24 O 0.29048756147558 0.75000000000000 0.34704211212734 15.999 25 O 0.20951243852442 0.25000000000000 0.84704211212735 15.999 26 O 0.11238249399414 0.25000000000000 0.51685994632492 15.999 27 O 0.06809411659427 0.75000000000000 0.07380608495963 15.999 28 O 0.01902913827858 0.25000000000000 0.28258391386942 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.206112129999999 0.000000000000000 0.000000000000000 b 0.000000000000000 13.396870040000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.802274119999998 Atomic positions (fractional): 1 Ba 0.75332798538066 0.06250000000000 0.34951091835970 137.327 > 1 2 Ba 0.75332798538066 0.31250000000000 0.34951091835970 137.327 > 1 3 Ba 0.75332798538066 0.56250000000000 0.34951091835970 137.327 > 1 4 Ba 0.75332798538066 0.81250000000000 0.34951091835970 137.327 > 1 5 Ba 0.74667201461934 0.18750000000000 0.84951091835970 137.327 > 5 6 Ba 0.74667201461934 0.43750000000000 0.84951091835970 137.327 > 5 7 Ba 0.74667201461934 0.68750000000000 0.84951091835970 137.327 > 5 8 Ba 0.74667201461934 0.93750000000000 0.84951091835970 137.327 > 5 9 Ba 0.25332798538066 0.06250000000000 0.15048908164030 137.327 > 9 10 Ba 0.25332798538066 0.31250000000000 0.15048908164030 137.327 > 9 11 Ba 0.25332798538066 0.56250000000000 0.15048908164030 137.327 > 9 12 Ba 0.25332798538066 0.81250000000000 0.15048908164030 137.327 > 9 13 Ba 0.24667201461934 0.18750000000000 0.65048908164030 137.327 > 13 14 Ba 0.24667201461934 0.43750000000000 0.65048908164030 137.327 > 13 15 Ba 0.24667201461934 0.68750000000000 0.65048908164030 137.327 > 13 16 Ba 0.24667201461934 0.93750000000000 0.65048908164030 137.327 > 13 17 Lu 0.92233527413186 0.06250000000000 0.60766203283806 174.967 > 17 18 Lu 0.92233527413186 0.31250000000000 0.60766203283806 174.967 > 17 19 Lu 0.92233527413186 0.56250000000000 0.60766203283806 174.967 > 17 20 Lu 0.92233527413186 0.81250000000000 0.60766203283806 174.967 > 17 21 Lu 0.92757316896600 0.06250000000000 0.11004384792229 174.967 > 21 22 Lu 0.92757316896600 0.31250000000000 0.11004384792229 174.967 > 21 23 Lu 0.92757316896600 0.56250000000000 0.11004384792229 174.967 > 21 24 Lu 0.92757316896600 0.81250000000000 0.11004384792229 174.967 > 21 25 Lu 0.57242683103400 0.18750000000000 0.61004384792229 174.967 > 25 26 Lu 0.57242683103400 0.43750000000000 0.61004384792229 174.967 > 25 27 Lu 0.57242683103400 0.68750000000000 0.61004384792229 174.967 > 25 28 Lu 0.57242683103400 0.93750000000000 0.61004384792229 174.967 > 25 29 Lu 0.57766472586814 0.18750000000000 0.10766203283806 174.967 > 29 30 Lu 0.57766472586814 0.43750000000000 0.10766203283806 174.967 > 29 31 Lu 0.57766472586814 0.68750000000000 0.10766203283806 174.967 > 29 32 Lu 0.57766472586814 0.93750000000000 0.10766203283806 174.967 > 29 33 Lu 0.42233527413186 0.06250000000000 0.89233796716194 174.967 > 33 34 Lu 0.42233527413186 0.31250000000000 0.89233796716194 174.967 > 33 35 Lu 0.42233527413186 0.56250000000000 0.89233796716194 174.967 > 33 36 Lu 0.42233527413186 0.81250000000000 0.89233796716194 174.967 > 33 37 Lu 0.42757316896601 0.06250000000000 0.38995615207771 174.967 > 37 38 Lu 0.42757316896601 0.31250000000000 0.38995615207771 174.967 > 37 39 Lu 0.42757316896601 0.56250000000000 0.38995615207771 174.967 > 37 40 Lu 0.42757316896601 0.81250000000000 0.38995615207771 174.967 > 37 41 Lu 0.07242683103399 0.18750000000000 0.88995615207771 174.967 > 41 42 Lu 0.07242683103399 0.43750000000000 0.88995615207771 174.967 > 41 43 Lu 0.07242683103399 0.68750000000000 0.88995615207771 174.967 > 41 44 Lu 0.07242683103399 0.93750000000000 0.88995615207771 174.967 > 41 45 Lu 0.07766472586814 0.18750000000000 0.39233796716194 174.967 > 45 46 Lu 0.07766472586814 0.43750000000000 0.39233796716194 174.967 > 45 47 Lu 0.07766472586814 0.68750000000000 0.39233796716194 174.967 > 45 48 Lu 0.07766472586814 0.93750000000000 0.39233796716194 174.967 > 45 49 O 0.98097086172142 0.18750000000000 0.71741608613058 15.999 > 49 50 O 0.98097086172142 0.43750000000000 0.71741608613058 15.999 > 49 51 O 0.98097086172142 0.68750000000000 0.71741608613058 15.999 > 49 52 O 0.98097086172142 0.93750000000000 0.71741608613058 15.999 > 49 53 O 0.93190588340573 0.06250000000000 0.92619391504037 15.999 > 53 54 O 0.93190588340573 0.31250000000000 0.92619391504037 15.999 > 53 55 O 0.93190588340573 0.56250000000000 0.92619391504037 15.999 > 53 56 O 0.93190588340573 0.81250000000000 0.92619391504037 15.999 > 53 57 O 0.88761750600586 0.18750000000000 0.48314005367508 15.999 > 57 58 O 0.88761750600586 0.43750000000000 0.48314005367508 15.999 > 57 59 O 0.88761750600586 0.68750000000000 0.48314005367508 15.999 > 57 60 O 0.88761750600586 0.93750000000000 0.48314005367508 15.999 > 57 61 O 0.79048756147558 0.18750000000000 0.15295788787265 15.999 > 61 62 O 0.79048756147558 0.43750000000000 0.15295788787265 15.999 > 61 63 O 0.79048756147558 0.68750000000000 0.15295788787265 15.999 > 61 64 O 0.79048756147558 0.93750000000000 0.15295788787265 15.999 > 61 65 O 0.70951243852442 0.06250000000000 0.65295788787265 15.999 > 65 66 O 0.70951243852442 0.31250000000000 0.65295788787265 15.999 > 65 67 O 0.70951243852442 0.56250000000000 0.65295788787265 15.999 > 65 68 O 0.70951243852442 0.81250000000000 0.65295788787265 15.999 > 65 69 O 0.61238249399414 0.06250000000000 0.98314005367508 15.999 > 69 70 O 0.61238249399414 0.31250000000000 0.98314005367508 15.999 > 69 71 O 0.61238249399414 0.56250000000000 0.98314005367508 15.999 > 69 72 O 0.61238249399414 0.81250000000000 0.98314005367508 15.999 > 69 73 O 0.56809411659427 0.18750000000000 0.42619391504037 15.999 > 73 74 O 0.56809411659427 0.43750000000000 0.42619391504037 15.999 > 73 75 O 0.56809411659427 0.68750000000000 0.42619391504037 15.999 > 73 76 O 0.56809411659427 0.93750000000000 0.42619391504037 15.999 > 73 77 O 0.51902913827858 0.06250000000000 0.21741608613058 15.999 > 77 78 O 0.51902913827858 0.31250000000000 0.21741608613058 15.999 > 77 79 O 0.51902913827858 0.56250000000000 0.21741608613058 15.999 > 77 80 O 0.51902913827858 0.81250000000000 0.21741608613058 15.999 > 77 81 O 0.48097086172142 0.18750000000000 0.78258391386942 15.999 > 81 82 O 0.48097086172142 0.43750000000000 0.78258391386942 15.999 > 81 83 O 0.48097086172142 0.68750000000000 0.78258391386942 15.999 > 81 84 O 0.48097086172142 0.93750000000000 0.78258391386942 15.999 > 81 85 O 0.43190588340573 0.06250000000000 0.57380608495963 15.999 > 85 86 O 0.43190588340573 0.31250000000000 0.57380608495963 15.999 > 85 87 O 0.43190588340573 0.56250000000000 0.57380608495963 15.999 > 85 88 O 0.43190588340573 0.81250000000000 0.57380608495963 15.999 > 85 89 O 0.38761750600586 0.18750000000000 0.01685994632492 15.999 > 89 90 O 0.38761750600586 0.43750000000000 0.01685994632492 15.999 > 89 91 O 0.38761750600586 0.68750000000000 0.01685994632492 15.999 > 89 92 O 0.38761750600586 0.93750000000000 0.01685994632492 15.999 > 89 93 O 0.29048756147558 0.18750000000000 0.34704211212734 15.999 > 93 94 O 0.29048756147558 0.43750000000000 0.34704211212734 15.999 > 93 95 O 0.29048756147558 0.68750000000000 0.34704211212734 15.999 > 93 96 O 0.29048756147558 0.93750000000000 0.34704211212734 15.999 > 93 97 O 0.20951243852442 0.06250000000000 0.84704211212735 15.999 > 97 98 O 0.20951243852442 0.31250000000000 0.84704211212735 15.999 > 97 99 O 0.20951243852442 0.56250000000000 0.84704211212735 15.999 > 97 100 O 0.20951243852442 0.81250000000000 0.84704211212735 15.999 > 97 101 O 0.11238249399414 0.06250000000000 0.51685994632492 15.999 > 101 102 O 0.11238249399414 0.31250000000000 0.51685994632492 15.999 > 101 103 O 0.11238249399414 0.56250000000000 0.51685994632492 15.999 > 101 104 O 0.11238249399414 0.81250000000000 0.51685994632492 15.999 > 101 105 O 0.06809411659427 0.18750000000000 0.07380608495963 15.999 > 105 106 O 0.06809411659427 0.43750000000000 0.07380608495963 15.999 > 105 107 O 0.06809411659427 0.68750000000000 0.07380608495963 15.999 > 105 108 O 0.06809411659427 0.93750000000000 0.07380608495963 15.999 > 105 109 O 0.01902913827858 0.06250000000000 0.28258391386942 15.999 > 109 110 O 0.01902913827858 0.31250000000000 0.28258391386942 15.999 > 109 111 O 0.01902913827858 0.56250000000000 0.28258391386942 15.999 > 109 112 O 0.01902913827858 0.81250000000000 0.28258391386942 15.999 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.3048462 0.0000000 0.0000000 0.0000000 4.4116592 0.0000000 0.0000000 0.0000000 4.2914697 -------------------------- Born effective charges -------------------------- 1 Ba 2.9366923 0.0000000 0.1055145 0.0000000 2.5143874 0.0000000 0.1015667 0.0000000 2.6034028 2 Ba 2.9366923 0.0000000 -0.1055145 0.0000000 2.5143874 0.0000000 -0.1015667 0.0000000 2.6034028 3 Ba 2.9366923 0.0000000 -0.1055145 0.0000000 2.5143874 0.0000000 -0.1015667 0.0000000 2.6034028 4 Ba 2.9366923 0.0000000 0.1055145 0.0000000 2.5143874 0.0000000 0.1015667 0.0000000 2.6034028 5 Lu 3.5161068 0.0000000 -0.2047021 0.0000000 4.0664051 0.0000000 -0.1504357 0.0000000 3.5100408 6 Lu 3.4740888 0.0000000 -0.1283459 0.0000000 3.9574717 0.0000000 -0.1588855 0.0000000 3.8473468 7 Lu 3.4740888 0.0000000 0.1283459 0.0000000 3.9574717 0.0000000 0.1588855 0.0000000 3.8473468 8 Lu 3.5161068 0.0000000 0.2047021 0.0000000 4.0664051 0.0000000 0.1504357 0.0000000 3.5100408 9 Lu 3.5161068 0.0000000 0.2047021 0.0000000 4.0664051 0.0000000 0.1504357 0.0000000 3.5100408 10 Lu 3.4740888 0.0000000 0.1283459 0.0000000 3.9574717 0.0000000 0.1588855 0.0000000 3.8473468 11 Lu 3.4740888 0.0000000 -0.1283459 0.0000000 3.9574717 0.0000000 -0.1588855 0.0000000 3.8473468 12 Lu 3.5161068 0.0000000 -0.2047021 0.0000000 4.0664051 0.0000000 -0.1504357 0.0000000 3.5100408 13 O -2.1843557 0.0000000 -0.2387049 0.0000000 -2.4342072 0.0000000 -0.3523335 0.0000000 -2.9220915 14 O -2.4858793 0.0000000 -0.1640349 0.0000000 -2.7317301 0.0000000 0.0148603 0.0000000 -2.4615832 15 O -2.3796550 0.0000000 -0.1080877 0.0000000 -2.7268930 0.0000000 -0.1383244 0.0000000 -2.5098652 16 O -2.8769980 0.0000000 0.0921090 0.0000000 -2.6454339 0.0000000 0.0751497 0.0000000 -2.0672504 17 O -2.8769980 0.0000000 -0.0921090 0.0000000 -2.6454339 0.0000000 -0.0751497 0.0000000 -2.0672504 18 O -2.3796550 0.0000000 0.1080877 0.0000000 -2.7268930 0.0000000 0.1383244 0.0000000 -2.5098652 19 O -2.4858793 0.0000000 0.1640349 0.0000000 -2.7317301 0.0000000 -0.0148603 0.0000000 -2.4615832 20 O -2.1843557 0.0000000 0.2387049 0.0000000 -2.4342072 0.0000000 0.3523335 0.0000000 -2.9220915 21 O -2.1843557 0.0000000 0.2387049 0.0000000 -2.4342072 0.0000000 0.3523335 0.0000000 -2.9220915 22 O -2.4858793 0.0000000 0.1640349 0.0000000 -2.7317301 0.0000000 -0.0148603 0.0000000 -2.4615832 23 O -2.3796550 0.0000000 0.1080877 0.0000000 -2.7268930 0.0000000 0.1383244 0.0000000 -2.5098652 24 O -2.8769980 0.0000000 -0.0921090 0.0000000 -2.6454339 0.0000000 -0.0751497 0.0000000 -2.0672504 25 O -2.8769980 0.0000000 0.0921090 0.0000000 -2.6454339 0.0000000 0.0751497 0.0000000 -2.0672504 26 O -2.3796550 0.0000000 -0.1080877 0.0000000 -2.7268930 0.0000000 -0.1383244 0.0000000 -2.5098652 27 O -2.4858793 0.0000000 -0.1640349 0.0000000 -2.7317301 0.0000000 0.0148603 0.0000000 -2.4615832 28 O -2.1843557 0.0000000 -0.2387049 0.0000000 -2.4342072 0.0000000 -0.3523335 0.0000000 -2.9220915 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 15 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: 0.56, Number of G-points: 293, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/72) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| -0.000 ( 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 1.569 ( 0.000 0.000 0.000) 0.000 1.994 ( 0.000 0.000 0.000) 0.000 2.076 ( 0.000 0.000 0.000) 0.000 2.117 ( 0.000 0.000 0.000) 0.000 2.160 ( 0.000 0.000 0.000) 0.000 2.167 ( 0.000 0.000 0.000) 0.000 2.168 ( 0.000 0.000 0.000) 0.000 2.312 ( 0.000 0.000 0.000) 0.000 2.380 ( 0.000 0.000 0.000) 0.000 2.439 ( 0.000 0.000 0.000) 0.000 2.481 ( 0.000 0.000 0.000) 0.000 2.537 ( 0.000 0.000 0.000) 0.000 2.659 ( 0.000 0.000 0.000) 0.000 2.807 ( 0.000 0.000 0.000) 0.000 2.848 ( 0.000 0.000 0.000) 0.000 2.863 ( 0.000 0.000 0.000) 0.000 2.912 ( 0.000 0.000 0.000) 0.000 3.005 ( 0.000 0.000 0.000) 0.000 3.077 ( 0.000 0.000 0.000) 0.000 3.564 ( 0.000 0.000 0.000) 0.000 3.606 ( 0.000 0.000 0.000) 0.000 3.733 ( 0.000 0.000 0.000) 0.000 3.911 ( 0.000 0.000 0.000) 0.000 4.338 ( 0.000 0.000 0.000) 0.000 4.499 ( 0.000 0.000 0.000) 0.000 4.859 ( 0.000 0.000 0.000) 0.000 4.945 ( 0.000 0.000 0.000) 0.000 5.017 ( 0.000 0.000 0.000) 0.000 5.189 ( 0.000 0.000 0.000) 0.000 5.363 ( 0.000 0.000 0.000) 0.000 5.483 ( 0.000 0.000 0.000) 0.000 5.515 ( 0.000 0.000 0.000) 0.000 5.671 ( 0.000 0.000 0.000) 0.000 6.974 ( 0.000 0.000 0.000) 0.000 7.050 ( 0.000 0.000 0.000) 0.000 7.445 ( 0.000 0.000 0.000) 0.000 7.696 ( 0.000 0.000 0.000) 0.000 7.723 ( 0.000 0.000 0.000) 0.000 7.873 ( 0.000 0.000 0.000) 0.000 8.296 ( 0.000 0.000 0.000) 0.000 8.300 ( 0.000 0.000 0.000) 0.000 8.346 ( 0.000 0.000 0.000) 0.000 8.633 ( 0.000 0.000 0.000) 0.000 8.827 ( 0.000 0.000 0.000) 0.000 8.877 ( 0.000 0.000 0.000) 0.000 8.974 ( 0.000 0.000 0.000) 0.000 9.104 ( 0.000 0.000 0.000) 0.000 9.200 ( 0.000 0.000 0.000) 0.000 9.884 ( 0.000 0.000 0.000) 0.000 9.987 ( 0.000 0.000 0.000) 0.000 10.081 ( 0.000 0.000 0.000) 0.000 10.125 ( 0.000 0.000 0.000) 0.000 10.201 ( 0.000 0.000 0.000) 0.000 10.240 ( 0.000 0.000 0.000) 0.000 10.611 ( 0.000 0.000 0.000) 0.000 10.660 ( 0.000 0.000 0.000) 0.000 10.974 ( 0.000 0.000 0.000) 0.000 11.216 ( 0.000 0.000 0.000) 0.000 11.488 ( 0.000 0.000 0.000) 0.000 11.516 ( 0.000 0.000 0.000) 0.000 11.533 ( 0.000 0.000 0.000) 0.000 11.765 ( 0.000 0.000 0.000) 0.000 11.773 ( 0.000 0.000 0.000) 0.000 11.918 ( 0.000 0.000 0.000) 0.000 12.072 ( 0.000 0.000 0.000) 0.000 12.133 ( 0.000 0.000 0.000) 0.000 12.706 ( 0.000 0.000 0.000) 0.000 12.756 ( 0.000 0.000 0.000) 0.000 13.260 ( 0.000 0.000 0.000) 0.000 13.398 ( 0.000 0.000 0.000) 0.000 13.983 ( 0.000 0.000 0.000) 0.000 14.366 ( 0.000 0.000 0.000) 0.000 14.718 ( 0.000 0.000 0.000) 0.000 14.992 ( 0.000 0.000 0.000) 0.000 16.333 ( 0.000 0.000 0.000) 0.000 16.392 ( 0.000 0.000 0.000) 0.000 16.400 ( 0.000 0.000 0.000) 0.000 17.101 ( 0.000 0.000 0.000) 0.000 17.158 ( 0.000 0.000 0.000) 0.000 17.199 ( 0.000 0.000 0.000) 0.000 17.314 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/72) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.530 ( 26.426 0.000 0.000) 26.426 0.538 ( 27.301 0.000 0.000) 27.301 0.946 ( 47.655 0.000 0.000) 47.655 1.591 ( 0.784 0.000 0.000) 0.784 1.863 ( -9.938 0.000 0.000) 9.938 2.002 ( -14.789 0.000 0.000) 14.789 2.073 ( -5.954 0.000 0.000) 5.954 2.128 ( 4.737 0.000 0.000) 4.737 2.217 ( 2.672 0.000 0.000) 2.672 2.225 ( -1.872 0.000 0.000) 1.872 2.330 ( 5.431 0.000 0.000) 5.431 2.354 ( 1.802 0.000 0.000) 1.802 2.402 ( 1.803 0.000 0.000) 1.803 2.465 ( -0.992 0.000 0.000) 0.992 2.554 ( 1.597 0.000 0.000) 1.597 2.653 ( -0.669 0.000 0.000) 0.669 2.826 ( -6.579 0.000 0.000) 6.579 2.829 ( 2.144 0.000 0.000) 2.144 2.871 ( 0.155 0.000 0.000) 0.155 2.989 ( -1.632 0.000 0.000) 1.632 3.080 ( 11.101 0.000 0.000) 11.101 3.163 ( 7.828 0.000 0.000) 7.828 3.455 ( -23.017 0.000 0.000) 23.017 3.459 ( -1.425 0.000 0.000) 1.425 3.775 ( 11.018 0.000 0.000) 11.018 4.045 ( 11.192 0.000 0.000) 11.192 4.219 ( -10.151 0.000 0.000) 10.151 4.295 ( -17.541 0.000 0.000) 17.541 4.830 ( -16.091 0.000 0.000) 16.091 4.949 ( -12.214 0.000 0.000) 12.214 5.085 ( 9.352 0.000 0.000) 9.352 5.174 ( 3.952 0.000 0.000) 3.952 5.386 ( -1.520 0.000 0.000) 1.520 5.405 ( 2.118 0.000 0.000) 2.118 5.709 ( 9.848 0.000 0.000) 9.848 5.757 ( 6.574 0.000 0.000) 6.574 6.867 ( -8.108 0.000 0.000) 8.108 7.113 ( -19.867 0.000 0.000) 19.867 7.145 ( 8.812 0.000 0.000) 8.812 7.904 ( 3.169 0.000 0.000) 3.169 7.933 ( -9.301 0.000 0.000) 9.301 8.075 ( 16.377 0.000 0.000) 16.377 8.281 ( -6.222 0.000 0.000) 6.222 8.293 ( -0.652 0.000 0.000) 0.652 8.348 ( 6.283 0.000 0.000) 6.283 8.615 ( -0.648 0.000 0.000) 0.648 8.806 ( -5.593 0.000 0.000) 5.593 8.880 ( 2.819 0.000 0.000) 2.819 9.194 ( 7.406 0.000 0.000) 7.406 9.270 ( 5.414 0.000 0.000) 5.414 9.977 ( 8.350 0.000 0.000) 8.350 9.988 ( 0.113 0.000 0.000) 0.113 10.084 ( 2.790 0.000 0.000) 2.790 10.101 ( -2.401 0.000 0.000) 2.401 10.208 ( 1.345 0.000 0.000) 1.345 10.249 ( 1.234 0.000 0.000) 1.234 10.608 ( -0.180 0.000 0.000) 0.180 10.648 ( -1.117 0.000 0.000) 1.117 11.014 ( 3.625 0.000 0.000) 3.625 11.265 ( 3.312 0.000 0.000) 3.312 11.386 ( -6.536 0.000 0.000) 6.536 11.487 ( -0.008 0.000 0.000) 0.008 11.524 ( -0.844 0.000 0.000) 0.844 11.768 ( 0.311 0.000 0.000) 0.311 11.774 ( 0.132 0.000 0.000) 0.132 12.080 ( 0.778 0.000 0.000) 0.778 12.100 ( 13.667 0.000 0.000) 13.667 12.129 ( -0.393 0.000 0.000) 0.393 12.334 ( -10.412 0.000 0.000) 10.412 12.602 ( -7.390 0.000 0.000) 7.390 13.231 ( -2.452 0.000 0.000) 2.452 13.348 ( -4.680 0.000 0.000) 4.680 13.991 ( 4.500 0.000 0.000) 4.500 14.323 ( -4.094 0.000 0.000) 4.094 14.746 ( 2.731 0.000 0.000) 2.731 14.966 ( -2.594 0.000 0.000) 2.594 16.153 ( 0.408 0.000 0.000) 0.408 16.286 ( -3.513 0.000 0.000) 3.513 16.430 ( 1.608 0.000 0.000) 1.608 16.442 ( -1.334 0.000 0.000) 1.334 17.114 ( 1.560 0.000 0.000) 1.560 17.165 ( 0.518 0.000 0.000) 0.518 17.208 ( 0.889 0.000 0.000) 0.889 17.318 ( -0.102 0.000 0.000) 0.102 ======================= Grid point 2 (3/72) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.023 ( 23.531 0.000 0.000) 23.531 1.067 ( 26.553 0.000 0.000) 26.553 1.433 ( -17.270 0.000 0.000) 17.270 1.566 ( -22.477 0.000 0.000) 22.477 1.808 ( 4.825 0.000 0.000) 4.825 1.869 ( 41.665 0.000 0.000) 41.665 1.939 ( -7.355 0.000 0.000) 7.355 2.215 ( 2.567 0.000 0.000) 2.567 2.237 ( 2.386 0.000 0.000) 2.386 2.276 ( 3.336 0.000 0.000) 3.336 2.339 ( -2.705 0.000 0.000) 2.705 2.436 ( 1.442 0.000 0.000) 1.442 2.455 ( -0.466 0.000 0.000) 0.466 2.514 ( 9.688 0.000 0.000) 9.688 2.594 ( 2.227 0.000 0.000) 2.227 2.632 ( -1.504 0.000 0.000) 1.504 2.669 ( -30.575 0.000 0.000) 30.575 2.681 ( -8.469 0.000 0.000) 8.469 2.883 ( 3.166 0.000 0.000) 3.166 2.944 ( -2.853 0.000 0.000) 2.853 3.007 ( -3.482 0.000 0.000) 3.482 3.079 ( -6.502 0.000 0.000) 6.502 3.488 ( 18.285 0.000 0.000) 18.285 3.648 ( 15.877 0.000 0.000) 15.877 3.895 ( -20.081 0.000 0.000) 20.081 3.969 ( -14.736 0.000 0.000) 14.736 4.051 ( 15.669 0.000 0.000) 15.669 4.291 ( 8.327 0.000 0.000) 8.327 4.479 ( -13.420 0.000 0.000) 13.420 4.659 ( -15.819 0.000 0.000) 15.819 5.221 ( 3.606 0.000 0.000) 3.606 5.238 ( 1.465 0.000 0.000) 1.465 5.403 ( 2.183 0.000 0.000) 2.183 5.429 ( 0.039 0.000 0.000) 0.039 5.849 ( 3.980 0.000 0.000) 3.980 5.858 ( 2.863 0.000 0.000) 2.863 6.750 ( -2.183 0.000 0.000) 2.183 6.818 ( -9.469 0.000 0.000) 9.469 7.376 ( 14.138 0.000 0.000) 14.138 7.671 ( -15.220 0.000 0.000) 15.220 7.995 ( 6.068 0.000 0.000) 6.068 8.135 ( -7.868 0.000 0.000) 7.868 8.237 ( 2.493 0.000 0.000) 2.493 8.270 ( -1.458 0.000 0.000) 1.458 8.606 ( 15.781 0.000 0.000) 15.781 8.631 ( 2.260 0.000 0.000) 2.260 8.700 ( -4.736 0.000 0.000) 4.736 8.844 ( -7.348 0.000 0.000) 7.348 9.327 ( 4.795 0.000 0.000) 4.795 9.354 ( 2.040 0.000 0.000) 2.040 9.999 ( 1.253 0.000 0.000) 1.253 10.043 ( -3.059 0.000 0.000) 3.059 10.099 ( 2.582 0.000 0.000) 2.582 10.117 ( 0.283 0.000 0.000) 0.283 10.282 ( 4.485 0.000 0.000) 4.485 10.295 ( 2.503 0.000 0.000) 2.503 10.609 ( 0.347 0.000 0.000) 0.347 10.624 ( -1.137 0.000 0.000) 1.137 11.092 ( 3.950 0.000 0.000) 3.950 11.181 ( -5.857 0.000 0.000) 5.857 11.491 ( 0.446 0.000 0.000) 0.446 11.505 ( -0.955 0.000 0.000) 0.955 11.543 ( 17.799 0.000 0.000) 17.799 11.774 ( 0.244 0.000 0.000) 0.244 11.776 ( 0.017 0.000 0.000) 0.017 11.974 ( -23.459 0.000 0.000) 23.459 12.099 ( 1.026 0.000 0.000) 1.026 12.117 ( -0.794 0.000 0.000) 0.794 12.350 ( 10.603 0.000 0.000) 10.603 12.496 ( -4.893 0.000 0.000) 4.893 13.196 ( -0.154 0.000 0.000) 0.154 13.245 ( -4.809 0.000 0.000) 4.809 14.099 ( 6.103 0.000 0.000) 6.103 14.220 ( -6.032 0.000 0.000) 6.032 14.815 ( 4.105 0.000 0.000) 4.105 14.898 ( -4.084 0.000 0.000) 4.084 16.170 ( 1.543 0.000 0.000) 1.543 16.217 ( -3.192 0.000 0.000) 3.192 16.429 ( 0.209 0.000 0.000) 0.209 16.441 ( -0.451 0.000 0.000) 0.451 17.157 ( 2.049 0.000 0.000) 2.049 17.174 ( 0.112 0.000 0.000) 0.112 17.236 ( 2.297 0.000 0.000) 2.297 17.292 ( -2.576 0.000 0.000) 2.576 ======================= Grid point 5 (4/72) ======================= q-point: ( 0.00 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.540 ( 0.000 26.885 0.000) 26.885 0.558 ( 0.000 27.761 0.000) 27.761 1.130 ( 0.000 55.568 0.000) 55.568 1.830 ( 0.000 23.370 0.000) 23.370 2.103 ( 0.000 0.791 0.000) 0.791 2.104 ( 0.000 2.795 0.000) 2.795 2.192 ( 0.000 2.513 0.000) 2.513 2.197 ( 0.000 18.417 0.000) 18.417 2.298 ( 0.000 11.030 0.000) 11.030 2.348 ( 0.000 17.648 0.000) 17.648 2.448 ( 0.000 11.772 0.000) 11.772 2.482 ( 0.000 5.795 0.000) 5.795 2.565 ( 0.000 14.991 0.000) 14.991 2.630 ( 0.000 14.045 0.000) 14.045 2.700 ( 0.000 14.416 0.000) 14.416 2.808 ( 0.000 14.113 0.000) 14.113 2.823 ( 0.000 5.250 0.000) 5.250 2.845 ( 0.000 -0.056 0.000) 0.056 2.860 ( 0.000 -0.207 0.000) 0.207 3.093 ( 0.000 1.735 0.000) 1.735 3.099 ( 0.000 15.919 0.000) 15.919 3.180 ( 0.000 16.776 0.000) 16.776 3.555 ( 0.000 -0.950 0.000) 0.950 3.679 ( 0.000 7.686 0.000) 7.686 3.767 ( 0.000 3.817 0.000) 3.817 3.940 ( 0.000 3.166 0.000) 3.166 4.313 ( 0.000 -2.335 0.000) 2.335 4.488 ( 0.000 -1.081 0.000) 1.081 4.832 ( 0.000 -2.682 0.000) 2.682 4.926 ( 0.000 -1.554 0.000) 1.554 4.992 ( 0.000 -2.368 0.000) 2.368 5.165 ( 0.000 -2.376 0.000) 2.376 5.337 ( 0.000 -2.606 0.000) 2.606 5.460 ( 0.000 -2.284 0.000) 2.284 5.475 ( 0.000 -3.787 0.000) 3.787 5.660 ( 0.000 -1.195 0.000) 1.195 6.964 ( 0.000 -0.806 0.000) 0.806 7.025 ( 0.000 -2.203 0.000) 2.203 7.418 ( 0.000 -1.814 0.000) 1.814 7.661 ( 0.000 -3.179 0.000) 3.179 7.741 ( 0.000 1.852 0.000) 1.852 8.274 ( 0.000 -2.586 0.000) 2.586 8.312 ( 0.000 1.941 0.000) 1.941 8.591 ( 0.000 16.893 0.000) 16.893 8.671 ( 0.000 7.765 0.000) 7.765 8.819 ( 0.000 -0.139 0.000) 0.139 8.906 ( 0.000 -0.273 0.000) 0.273 9.121 ( 0.000 16.540 0.000) 16.540 9.270 ( 0.000 14.497 0.000) 14.497 9.305 ( 0.000 11.069 0.000) 11.069 9.857 ( 0.000 -3.588 0.000) 3.588 10.032 ( 0.000 3.183 0.000) 3.183 10.085 ( 0.000 0.869 0.000) 0.869 10.235 ( 0.000 -0.291 0.000) 0.291 10.284 ( 0.000 7.485 0.000) 7.485 10.332 ( 0.000 19.197 0.000) 19.197 10.567 ( 0.000 -4.803 0.000) 4.803 10.591 ( 0.000 0.337 0.000) 0.337 10.909 ( 0.000 -4.270 0.000) 4.270 11.121 ( 0.000 -8.137 0.000) 8.137 11.514 ( 0.000 -1.232 0.000) 1.232 11.522 ( 0.000 0.758 0.000) 0.758 11.549 ( 0.000 4.919 0.000) 4.919 11.564 ( 0.000 -18.775 0.000) 18.775 11.871 ( 0.000 7.918 0.000) 7.918 11.953 ( 0.000 -9.037 0.000) 9.037 12.067 ( 0.000 12.087 0.000) 12.087 12.138 ( 0.000 0.850 0.000) 0.850 12.698 ( 0.000 -0.783 0.000) 0.783 12.787 ( 0.000 2.330 0.000) 2.330 13.249 ( 0.000 -1.204 0.000) 1.204 13.372 ( 0.000 -2.658 0.000) 2.658 13.934 ( 0.000 -4.896 0.000) 4.896 14.365 ( 0.000 -0.883 0.000) 0.883 14.633 ( 0.000 -8.345 0.000) 8.345 14.868 ( 0.000 -11.708 0.000) 11.708 16.118 ( 0.000 2.812 0.000) 2.812 16.288 ( 0.000 -4.318 0.000) 4.318 16.324 ( 0.000 -6.725 0.000) 6.725 16.346 ( 0.000 -5.132 0.000) 5.132 17.035 ( 0.000 -6.342 0.000) 6.342 17.096 ( 0.000 -6.083 0.000) 6.083 17.120 ( 0.000 -7.704 0.000) 7.704 17.243 ( 0.000 -6.876 0.000) 6.876 ======================= Grid point 6 (5/72) ======================= q-point: ( 0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( 18.260 19.382 0.000) 26.628 0.843 ( 22.559 18.722 0.000) 29.315 1.409 ( 26.549 41.849 0.000) 49.560 1.841 ( -0.621 22.060 0.000) 22.069 2.034 ( -12.477 3.767 0.000) 13.033 2.055 ( -9.175 16.766 0.000) 19.113 2.164 ( 4.904 3.967 0.000) 6.308 2.200 ( -2.580 4.026 0.000) 4.782 2.273 ( -2.769 13.323 0.000) 13.608 2.325 ( 4.666 5.655 0.000) 7.331 2.401 ( 1.136 11.333 0.000) 11.390 2.517 ( 3.459 14.688 0.000) 15.090 2.579 ( 1.171 15.334 0.000) 15.379 2.597 ( -2.615 12.140 0.000) 12.418 2.686 ( -1.125 10.662 0.000) 10.721 2.802 ( -0.643 14.187 0.000) 14.202 2.825 ( -0.877 7.529 0.000) 7.580 2.867 ( 1.407 0.779 0.000) 1.609 3.054 ( -1.914 14.544 0.000) 14.669 3.082 ( 11.219 1.179 0.000) 11.281 3.167 ( -0.631 16.172 0.000) 16.184 3.192 ( 8.719 3.860 0.000) 9.536 3.466 ( -2.355 0.709 0.000) 2.460 3.504 ( -22.392 5.789 0.000) 23.129 3.820 ( 10.616 5.116 0.000) 11.784 4.068 ( 10.604 2.508 0.000) 10.897 4.198 ( -9.900 -1.979 0.000) 10.096 4.277 ( -17.259 -1.383 0.000) 17.315 4.821 ( -15.230 -0.775 0.000) 15.250 4.888 ( -5.596 -3.476 0.000) 6.588 5.051 ( 8.601 -3.039 0.000) 9.122 5.098 ( 1.763 -4.420 0.000) 4.759 5.353 ( -1.631 -3.180 0.000) 3.574 5.377 ( 1.817 -2.669 0.000) 3.229 5.675 ( 9.713 -3.371 0.000) 10.281 5.736 ( 5.977 -2.041 0.000) 6.316 6.860 ( -7.211 -0.434 0.000) 7.224 7.107 ( -17.890 0.453 0.000) 17.896 7.123 ( 8.264 -1.817 0.000) 8.461 7.708 ( -2.928 -2.212 0.000) 3.670 8.020 ( 20.322 -4.059 0.000) 20.723 8.233 ( -3.092 -0.590 0.000) 3.148 8.287 ( -2.602 2.180 0.000) 3.395 8.571 ( -2.960 22.848 0.000) 23.039 8.649 ( 0.018 1.011 0.000) 1.011 8.718 ( -10.781 20.010 0.000) 22.729 8.904 ( 4.381 3.350 0.000) 5.515 8.991 ( -8.163 18.082 0.000) 19.839 9.307 ( 4.642 10.936 0.000) 11.881 9.400 ( 6.910 11.264 0.000) 13.215 9.955 ( 9.081 -2.093 0.000) 9.319 10.033 ( 0.149 2.627 0.000) 2.631 10.079 ( 1.193 1.322 0.000) 1.781 10.250 ( 0.102 1.341 0.000) 1.344 10.280 ( -1.044 9.003 0.000) 9.064 10.281 ( -2.678 12.861 0.000) 13.137 10.573 ( 0.900 -3.425 0.000) 3.541 10.624 ( 1.942 2.026 0.000) 2.806 10.961 ( 4.122 -5.470 0.000) 6.849 11.187 ( 3.705 -7.201 0.000) 8.098 11.458 ( -1.952 4.686 0.000) 5.076 11.507 ( -1.061 -0.158 0.000) 1.072 11.515 ( -1.512 -5.910 0.000) 6.100 11.614 ( 2.670 -6.274 0.000) 6.819 11.796 ( -4.163 3.224 0.000) 5.265 11.956 ( 0.275 -9.657 0.000) 9.661 12.047 ( -5.676 -2.212 0.000) 6.092 12.215 ( 10.158 8.787 0.000) 13.432 12.459 ( -17.610 6.291 0.000) 18.699 12.654 ( -8.546 2.525 0.000) 8.911 13.236 ( -0.948 0.304 0.000) 0.995 13.348 ( -2.733 -0.667 0.000) 2.813 13.956 ( 3.211 -4.340 0.000) 5.399 14.296 ( -5.900 -3.457 0.000) 6.838 14.679 ( 3.820 -6.492 0.000) 7.533 14.856 ( -1.305 -10.522 0.000) 10.603 16.145 ( 0.761 -0.230 0.000) 0.795 16.250 ( -2.904 -3.435 0.000) 4.498 16.351 ( 1.332 -7.322 0.000) 7.442 16.372 ( 1.388 -5.676 0.000) 5.844 17.048 ( 1.430 -6.466 0.000) 6.622 17.098 ( 0.248 -6.438 0.000) 6.442 17.133 ( 1.234 -7.323 0.000) 7.426 17.249 ( 0.080 -6.652 0.000) 6.652 ======================= Grid point 7 (6/72) ======================= q-point: ( 0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( 22.881 11.047 0.000) 25.409 1.277 ( 21.103 18.688 0.000) 28.188 1.631 ( -21.845 6.646 0.000) 22.833 1.655 ( -16.796 18.505 0.000) 24.991 2.023 ( 4.694 19.353 0.000) 19.914 2.070 ( 34.712 20.868 0.000) 40.502 2.138 ( -5.807 17.582 0.000) 18.517 2.258 ( 1.924 3.719 0.000) 4.187 2.258 ( 2.967 4.178 0.000) 5.125 2.413 ( 4.634 10.891 0.000) 11.836 2.491 ( -5.635 12.567 0.000) 13.773 2.543 ( 8.161 5.023 0.000) 9.582 2.566 ( -0.423 11.173 0.000) 11.181 2.598 ( 2.206 13.931 0.000) 14.105 2.667 ( -7.692 5.776 0.000) 9.619 2.749 ( -4.501 8.413 0.000) 9.541 2.779 ( -1.825 13.875 0.000) 13.994 2.799 ( -14.709 13.500 0.000) 19.965 3.029 ( -1.464 5.830 0.000) 6.011 3.086 ( -2.907 16.308 0.000) 16.565 3.094 ( -4.347 7.060 0.000) 8.291 3.131 ( -4.432 12.845 0.000) 13.588 3.493 ( 17.787 0.684 0.000) 17.800 3.636 ( 15.594 -1.184 0.000) 15.639 3.889 ( -20.143 -0.494 0.000) 20.149 3.951 ( -14.598 -1.666 0.000) 14.693 4.083 ( 15.367 3.564 0.000) 15.775 4.303 ( 8.435 1.446 0.000) 8.558 4.487 ( -13.254 1.006 0.000) 13.292 4.648 ( -14.718 -0.646 0.000) 14.732 5.174 ( 3.028 -4.314 0.000) 5.270 5.175 ( 2.623 -5.322 0.000) 5.933 5.367 ( 2.008 -3.285 0.000) 3.850 5.393 ( -0.230 -3.176 0.000) 3.184 5.814 ( 4.063 -3.500 0.000) 5.363 5.828 ( 2.489 -3.037 0.000) 3.927 6.762 ( -1.395 1.428 0.000) 1.996 6.835 ( -9.082 2.006 0.000) 9.301 7.331 ( 12.318 -3.133 0.000) 12.710 7.569 ( -10.798 -4.430 0.000) 11.671 8.177 ( 0.601 4.210 0.000) 4.253 8.222 ( -3.461 3.706 0.000) 5.071 8.368 ( 10.851 4.079 0.000) 11.592 8.493 ( -4.348 19.255 0.000) 19.740 8.637 ( 2.254 12.328 0.000) 12.532 8.674 ( 1.164 1.024 0.000) 1.550 8.863 ( -4.144 15.690 0.000) 16.228 8.883 ( -4.940 9.058 0.000) 10.318 9.445 ( 6.969 10.412 0.000) 12.529 9.499 ( 1.875 12.048 0.000) 12.193 10.045 ( 1.542 2.657 0.000) 3.072 10.087 ( -1.546 2.308 0.000) 2.778 10.118 ( 5.036 2.679 0.000) 5.704 10.181 ( -3.487 7.933 0.000) 8.665 10.293 ( 1.977 1.104 0.000) 2.265 10.298 ( 1.450 1.736 0.000) 2.262 10.615 ( 3.145 0.533 0.000) 3.190 10.649 ( 0.256 3.997 0.000) 4.005 11.038 ( 3.560 -5.718 0.000) 6.735 11.130 ( -6.284 -4.718 0.000) 7.858 11.485 ( -0.676 -1.196 0.000) 1.374 11.489 ( -1.054 -3.925 0.000) 4.065 11.626 ( 15.270 6.318 0.000) 16.526 11.663 ( 2.436 -4.276 0.000) 4.921 11.736 ( -0.606 -2.273 0.000) 2.353 11.964 ( 0.613 -10.200 0.000) 10.219 11.980 ( -2.020 -9.744 0.000) 9.951 12.062 ( -21.942 6.570 0.000) 22.904 12.389 ( 7.170 2.664 0.000) 7.648 12.510 ( -6.045 0.330 0.000) 6.054 13.234 ( 1.209 3.208 0.000) 3.428 13.283 ( -3.370 2.847 0.000) 4.411 14.046 ( 5.583 -5.564 0.000) 7.882 14.168 ( -6.687 -5.639 0.000) 8.747 14.756 ( 3.669 -6.063 0.000) 7.087 14.818 ( -2.583 -7.988 0.000) 8.396 16.156 ( 0.953 -1.501 0.000) 1.778 16.192 ( -2.640 -2.392 0.000) 3.562 16.369 ( 0.770 -5.747 0.000) 5.799 16.382 ( -0.331 -5.716 0.000) 5.726 17.085 ( 1.726 -7.073 0.000) 7.281 17.101 ( -0.113 -7.024 0.000) 7.025 17.171 ( 2.731 -6.360 0.000) 6.922 17.228 ( -2.395 -6.243 0.000) 6.687 ======================= Grid point 10 (7/72) ======================= q-point: ( 0.00 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( 0.000 25.404 0.000) 25.404 1.095 ( 0.000 25.806 0.000) 25.806 2.127 ( 0.000 30.684 0.000) 30.684 2.163 ( 0.000 4.938 0.000) 4.938 2.181 ( 0.000 4.733 0.000) 4.733 2.329 ( 0.000 24.489 0.000) 24.489 2.350 ( 0.000 24.770 0.000) 24.770 2.505 ( 0.000 8.553 0.000) 8.553 2.609 ( 0.000 18.834 0.000) 18.834 2.666 ( 0.000 8.315 0.000) 8.315 2.677 ( 0.000 12.887 0.000) 12.887 2.787 ( 0.000 22.271 0.000) 22.271 2.842 ( 0.000 3.758 0.000) 3.758 2.861 ( 0.000 3.310 0.000) 3.310 2.923 ( 0.000 19.999 0.000) 19.999 2.944 ( 0.000 12.264 0.000) 12.264 3.015 ( 0.000 21.500 0.000) 21.500 3.160 ( 0.000 5.639 0.000) 5.639 3.164 ( 0.000 24.382 0.000) 24.382 3.174 ( 0.000 20.615 0.000) 20.615 3.473 ( 0.000 20.086 0.000) 20.086 3.533 ( 0.000 -0.745 0.000) 0.745 3.625 ( 0.000 26.448 0.000) 26.448 3.920 ( 0.000 12.305 0.000) 12.305 3.930 ( 0.000 17.693 0.000) 17.693 4.055 ( 0.000 8.903 0.000) 8.903 4.262 ( 0.000 -1.718 0.000) 1.718 4.460 ( 0.000 -1.549 0.000) 1.549 4.756 ( 0.000 -4.893 0.000) 4.893 4.898 ( 0.000 -1.691 0.000) 1.691 4.933 ( 0.000 -2.286 0.000) 2.286 5.097 ( 0.000 -4.293 0.000) 4.293 5.262 ( 0.000 -4.704 0.000) 4.704 5.372 ( 0.000 -6.503 0.000) 6.503 5.395 ( 0.000 -4.075 0.000) 4.075 5.621 ( 0.000 -2.786 0.000) 2.786 6.954 ( 0.000 0.176 0.000) 0.176 6.981 ( 0.000 -1.786 0.000) 1.786 7.408 ( 0.000 1.244 0.000) 1.244 7.592 ( 0.000 -3.231 0.000) 3.231 7.793 ( 0.000 3.165 0.000) 3.165 8.200 ( 0.000 -4.879 0.000) 4.879 8.376 ( 0.000 4.115 0.000) 4.115 8.581 ( 0.000 -7.917 0.000) 7.917 8.835 ( 0.000 1.868 0.000) 1.868 8.902 ( 0.000 0.580 0.000) 0.580 9.166 ( 0.000 26.816 0.000) 26.816 9.509 ( 0.000 19.223 0.000) 19.223 9.538 ( 0.000 10.232 0.000) 10.232 9.574 ( 0.000 12.778 0.000) 12.778 9.752 ( 0.000 -4.661 0.000) 4.661 10.065 ( 0.000 0.286 0.000) 0.286 10.114 ( 0.000 1.927 0.000) 1.927 10.238 ( 0.000 0.479 0.000) 0.479 10.407 ( 0.000 4.704 0.000) 4.704 10.561 ( 0.000 -2.830 0.000) 2.830 10.666 ( 0.000 14.391 0.000) 14.391 10.827 ( 0.000 28.754 0.000) 28.754 10.906 ( 0.000 -13.007 0.000) 13.007 10.909 ( 0.000 5.406 0.000) 5.406 11.098 ( 0.000 -25.584 0.000) 25.584 11.506 ( 0.000 1.055 0.000) 1.055 11.567 ( 0.000 4.568 0.000) 4.568 11.634 ( 0.000 2.901 0.000) 2.901 11.868 ( 0.000 2.712 0.000) 2.712 12.031 ( 0.000 7.422 0.000) 7.422 12.177 ( 0.000 3.157 0.000) 3.157 12.308 ( 0.000 10.902 0.000) 10.902 12.676 ( 0.000 -1.309 0.000) 1.309 12.820 ( 0.000 0.532 0.000) 0.532 13.199 ( 0.000 -4.501 0.000) 4.501 13.288 ( 0.000 -5.939 0.000) 5.939 13.796 ( 0.000 -8.559 0.000) 8.559 14.297 ( 0.000 -6.425 0.000) 6.425 14.404 ( 0.000 -13.892 0.000) 13.892 14.567 ( 0.000 -17.469 0.000) 17.469 16.139 ( 0.000 -11.373 0.000) 11.373 16.169 ( 0.000 1.827 0.000) 1.827 16.178 ( 0.000 -6.202 0.000) 6.202 16.210 ( 0.000 -8.130 0.000) 8.130 16.864 ( 0.000 -10.272 0.000) 10.272 16.905 ( 0.000 -13.440 0.000) 13.440 16.927 ( 0.000 -10.437 0.000) 10.437 17.055 ( 0.000 -11.539 0.000) 11.539 ======================= Grid point 11 (8/72) ======================= q-point: ( 0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( 10.230 22.654 0.000) 24.857 1.230 ( 15.695 20.242 0.000) 25.614 2.135 ( -9.562 8.606 0.000) 12.864 2.198 ( 5.108 12.594 0.000) 13.590 2.215 ( 2.077 7.584 0.000) 7.863 2.363 ( -6.205 18.576 0.000) 19.585 2.405 ( 5.871 30.453 0.000) 31.013 2.409 ( -3.511 16.710 0.000) 17.074 2.419 ( 4.496 11.553 0.000) 12.397 2.619 ( 0.534 16.138 0.000) 16.147 2.759 ( -3.629 22.518 0.000) 22.808 2.792 ( 1.716 10.083 0.000) 10.228 2.871 ( 0.086 3.861 0.000) 3.862 2.910 ( 1.465 15.193 0.000) 15.263 2.941 ( 0.860 18.947 0.000) 18.967 2.962 ( -4.121 20.308 0.000) 20.722 3.112 ( 15.073 3.718 0.000) 15.525 3.145 ( 1.651 15.869 0.000) 15.955 3.167 ( -0.760 20.572 0.000) 20.586 3.281 ( 6.906 14.050 0.000) 15.655 3.440 ( -2.330 18.330 0.000) 18.477 3.476 ( -2.719 1.049 0.000) 2.914 3.612 ( -1.734 25.971 0.000) 26.028 3.745 ( -14.775 18.892 0.000) 23.983 4.013 ( 7.662 14.862 0.000) 16.720 4.150 ( -6.198 0.316 0.000) 6.206 4.166 ( 5.705 5.503 0.000) 7.926 4.247 ( -16.601 -1.496 0.000) 16.668 4.804 ( -12.025 -0.852 0.000) 12.055 4.837 ( -0.638 -1.800 0.000) 1.909 4.988 ( 6.218 -2.467 0.000) 6.690 5.001 ( -2.694 -5.487 0.000) 6.113 5.267 ( -1.747 -5.277 0.000) 5.558 5.300 ( 1.623 -5.053 0.000) 5.308 5.577 ( 9.045 -6.341 0.000) 11.046 5.674 ( 4.264 -4.147 0.000) 5.948 6.865 ( -4.773 1.237 0.000) 4.930 7.089 ( 7.736 -1.302 0.000) 7.845 7.144 ( -15.156 3.348 0.000) 15.522 7.687 ( -4.888 -0.709 0.000) 4.939 7.934 ( 16.787 -3.991 0.000) 17.255 8.194 ( 0.427 -2.653 0.000) 2.687 8.352 ( -2.488 3.721 0.000) 4.477 8.572 ( -1.289 -8.750 0.000) 8.844 8.904 ( 3.633 5.296 0.000) 6.423 8.924 ( 1.339 5.425 0.000) 5.587 9.147 ( 0.081 21.031 0.000) 21.031 9.362 ( -8.237 15.874 0.000) 17.884 9.577 ( 2.120 13.622 0.000) 13.786 9.636 ( 4.371 10.128 0.000) 11.031 9.900 ( 12.517 -1.707 0.000) 12.632 10.053 ( -0.271 -0.536 0.000) 0.601 10.129 ( 2.501 3.869 0.000) 4.607 10.285 ( 2.042 3.465 0.000) 4.022 10.391 ( -1.622 4.869 0.000) 5.132 10.536 ( -3.053 -0.659 0.000) 3.123 10.671 ( 1.169 11.269 0.000) 11.330 10.793 ( -2.749 15.681 0.000) 15.921 10.912 ( 1.049 7.803 0.000) 7.873 11.003 ( 6.693 -9.074 0.000) 11.275 11.165 ( 6.100 -18.522 0.000) 19.500 11.463 ( -1.537 0.005 0.000) 1.537 11.618 ( 3.586 7.606 0.000) 8.409 11.637 ( 0.298 0.935 0.000) 0.981 11.843 ( -4.967 1.963 0.000) 5.341 11.901 ( -6.348 5.453 0.000) 8.369 12.075 ( -8.821 4.497 0.000) 9.902 12.374 ( 3.682 6.572 0.000) 7.533 12.554 ( -12.823 3.256 0.000) 13.230 12.670 ( -11.332 -0.352 0.000) 11.337 13.229 ( 2.981 -1.524 0.000) 3.349 13.303 ( 1.244 -4.092 0.000) 4.277 13.818 ( 2.108 -9.023 0.000) 9.266 14.158 ( -9.258 -10.421 0.000) 13.939 14.501 ( 5.281 -11.101 0.000) 12.293 14.579 ( 0.917 -16.439 0.000) 16.464 16.107 ( -1.473 -6.509 0.000) 6.673 16.162 ( -1.455 -5.007 0.000) 5.214 16.207 ( 1.920 -4.435 0.000) 4.833 16.220 ( 0.714 -9.017 0.000) 9.046 16.867 ( 0.564 -11.451 0.000) 11.465 16.920 ( -0.573 -11.109 0.000) 11.124 16.935 ( 2.698 -11.814 0.000) 12.119 17.069 ( 0.716 -10.966 0.000) 10.990 ======================= Grid point 12 (9/72) ======================= q-point: ( 0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( 16.285 16.438 0.000) 23.139 1.605 ( 20.516 14.410 0.000) 25.071 1.820 ( -17.840 11.663 0.000) 21.314 2.010 ( -18.641 15.106 0.000) 23.994 2.305 ( 5.154 4.691 0.000) 6.969 2.337 ( 2.711 5.091 0.000) 5.768 2.463 ( 3.392 18.108 0.000) 18.423 2.509 ( 1.445 8.261 0.000) 8.387 2.631 ( 0.974 18.410 0.000) 18.436 2.660 ( 11.590 28.028 0.000) 30.330 2.699 ( -6.012 10.167 0.000) 11.811 2.794 ( 11.735 21.777 0.000) 24.738 2.847 ( -7.012 10.099 0.000) 12.295 2.896 ( 0.325 14.021 0.000) 14.025 2.932 ( -1.630 17.883 0.000) 17.957 2.970 ( 1.360 21.035 0.000) 21.079 3.135 ( -2.294 20.772 0.000) 20.898 3.178 ( -2.370 21.365 0.000) 21.496 3.238 ( -0.377 11.004 0.000) 11.010 3.266 ( -8.744 18.972 0.000) 20.890 3.481 ( 4.729 11.841 0.000) 12.751 3.557 ( -3.568 24.978 0.000) 25.231 3.581 ( 7.140 18.359 0.000) 19.699 3.607 ( 14.648 -1.216 0.000) 14.699 3.885 ( -18.253 0.844 0.000) 18.273 3.913 ( -14.308 -1.630 0.000) 14.401 4.219 ( 12.314 10.944 0.000) 16.474 4.369 ( 8.994 5.777 0.000) 10.690 4.533 ( -11.935 4.164 0.000) 12.641 4.655 ( -12.589 1.900 0.000) 12.731 5.054 ( 3.154 -6.627 0.000) 7.340 5.071 ( 1.622 -5.463 0.000) 5.699 5.281 ( 1.982 -5.168 0.000) 5.535 5.310 ( -0.562 -5.181 0.000) 5.211 5.711 ( 4.224 -6.844 0.000) 8.042 5.738 ( 1.366 -6.027 0.000) 6.180 6.816 ( 0.613 4.120 0.000) 4.165 6.905 ( -8.618 5.087 0.000) 10.008 7.278 ( 11.269 -2.047 0.000) 11.454 7.509 ( -11.510 -2.165 0.000) 11.711 8.225 ( 3.839 1.067 0.000) 3.984 8.267 ( 14.066 -8.074 0.000) 16.219 8.290 ( -3.427 3.034 0.000) 4.577 8.494 ( -7.747 -9.850 0.000) 12.532 8.919 ( -0.074 12.740 0.000) 12.740 8.930 ( -0.643 11.468 0.000) 11.486 9.175 ( 1.502 15.366 0.000) 15.439 9.228 ( -4.802 16.346 0.000) 17.036 9.674 ( 5.546 10.902 0.000) 12.232 9.707 ( 2.119 6.488 0.000) 6.826 10.081 ( 5.065 2.417 0.000) 5.612 10.161 ( 9.884 -0.074 0.000) 9.884 10.163 ( -0.635 5.985 0.000) 6.019 10.274 ( -3.657 3.324 0.000) 4.942 10.364 ( 0.383 5.420 0.000) 5.433 10.437 ( -5.459 6.984 0.000) 8.865 10.712 ( 2.527 7.212 0.000) 7.641 10.755 ( -1.653 2.030 0.000) 2.618 10.955 ( 3.482 6.836 0.000) 7.672 11.037 ( -3.366 -0.736 0.000) 3.446 11.314 ( 8.584 -9.092 0.000) 12.504 11.454 ( -3.191 -1.718 0.000) 3.624 11.642 ( 0.192 -3.083 0.000) 3.089 11.670 ( -3.514 -3.738 0.000) 5.130 11.750 ( 7.006 4.981 0.000) 8.596 11.900 ( -8.032 4.234 0.000) 9.080 11.920 ( 7.167 8.003 0.000) 10.743 12.214 ( -19.470 8.480 0.000) 21.237 12.421 ( 1.798 0.353 0.000) 1.832 12.489 ( -6.184 -2.461 0.000) 6.656 13.296 ( 3.021 2.379 0.000) 3.845 13.324 ( 0.244 0.790 0.000) 0.827 13.875 ( 4.020 -11.247 0.000) 11.944 13.988 ( -7.533 -12.184 0.000) 14.325 14.575 ( 2.195 -11.938 0.000) 12.138 14.592 ( 0.177 -14.139 0.000) 14.140 16.098 ( 0.609 -5.070 0.000) 5.106 16.126 ( -1.983 -4.313 0.000) 4.747 16.229 ( 0.450 -7.030 0.000) 7.044 16.230 ( 0.273 -8.763 0.000) 8.767 16.887 ( 1.208 -12.391 0.000) 12.449 16.907 ( -0.806 -12.094 0.000) 12.121 17.000 ( 3.640 -10.212 0.000) 10.842 17.059 ( -1.915 -10.172 0.000) 10.351 ======================= Grid point 15 (10/72) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.540 ( 0.000 22.218 0.000) 22.218 1.573 ( 0.000 21.965 0.000) 21.965 2.280 ( 0.000 4.949 0.000) 4.949 2.283 ( 0.000 6.775 0.000) 6.775 2.315 ( 0.000 5.049 0.000) 5.049 2.656 ( 0.000 6.756 0.000) 6.756 2.680 ( 0.000 7.169 0.000) 7.169 2.748 ( 0.000 0.992 0.000) 0.992 2.805 ( 0.000 6.670 0.000) 6.670 2.814 ( 0.000 0.926 0.000) 0.926 2.923 ( 0.000 11.481 0.000) 11.481 3.113 ( 0.000 16.690 0.000) 16.690 3.165 ( 0.000 8.582 0.000) 8.582 3.218 ( 0.000 41.157 0.000) 41.157 3.307 ( 0.000 23.811 0.000) 23.811 3.328 ( 0.000 11.242 0.000) 11.242 3.334 ( 0.000 20.408 0.000) 20.408 3.440 ( 0.000 3.174 0.000) 3.174 3.476 ( 0.000 23.101 0.000) 23.101 3.636 ( 0.000 20.249 0.000) 20.249 3.666 ( 0.000 17.747 0.000) 17.747 3.862 ( 0.000 17.727 0.000) 17.727 4.144 ( 0.000 7.668 0.000) 7.668 4.162 ( 0.000 25.416 0.000) 25.416 4.306 ( 0.000 15.919 0.000) 15.919 4.371 ( 0.000 25.785 0.000) 25.785 4.401 ( 0.000 19.204 0.000) 19.204 4.435 ( 0.000 -0.693 0.000) 0.693 4.645 ( 0.000 -5.961 0.000) 5.961 4.816 ( 0.000 -5.149 0.000) 5.149 4.984 ( 0.000 7.084 0.000) 7.084 5.010 ( 0.000 -3.537 0.000) 3.537 5.158 ( 0.000 -5.520 0.000) 5.520 5.223 ( 0.000 -8.122 0.000) 8.122 5.313 ( 0.000 -3.327 0.000) 3.327 5.553 ( 0.000 -3.581 0.000) 3.581 6.968 ( 0.000 0.878 0.000) 0.878 6.981 ( 0.000 2.613 0.000) 2.613 7.464 ( 0.000 3.971 0.000) 3.971 7.547 ( 0.000 -1.046 0.000) 1.046 7.854 ( 0.000 2.487 0.000) 2.487 8.081 ( 0.000 -7.020 0.000) 7.020 8.330 ( 0.000 -15.996 0.000) 15.996 8.435 ( 0.000 0.347 0.000) 0.347 8.898 ( 0.000 4.487 0.000) 4.487 8.942 ( 0.000 3.676 0.000) 3.676 9.567 ( 0.000 12.314 0.000) 12.314 9.662 ( 0.000 2.229 0.000) 2.229 9.671 ( 0.000 -1.924 0.000) 1.924 9.764 ( 0.000 6.768 0.000) 6.768 9.778 ( 0.000 5.605 0.000) 5.605 10.082 ( 0.000 0.688 0.000) 0.688 10.130 ( 0.000 -2.742 0.000) 2.742 10.223 ( 0.000 -2.785 0.000) 2.785 10.488 ( 0.000 2.100 0.000) 2.100 10.567 ( 0.000 5.247 0.000) 5.247 10.684 ( 0.000 -10.337 0.000) 10.337 10.716 ( 0.000 -2.896 0.000) 2.896 11.023 ( 0.000 20.076 0.000) 20.076 11.083 ( 0.000 10.208 0.000) 10.208 11.417 ( 0.000 28.879 0.000) 28.879 11.578 ( 0.000 6.325 0.000) 6.325 11.648 ( 0.000 -1.601 0.000) 1.601 11.701 ( 0.000 8.183 0.000) 8.183 12.014 ( 0.000 8.450 0.000) 8.450 12.176 ( 0.000 8.516 0.000) 8.516 12.257 ( 0.000 4.380 0.000) 4.380 12.482 ( 0.000 6.545 0.000) 6.545 12.649 ( 0.000 -1.402 0.000) 1.402 12.801 ( 0.000 -2.393 0.000) 2.393 13.034 ( 0.000 -12.936 0.000) 12.936 13.133 ( 0.000 -9.465 0.000) 9.465 13.616 ( 0.000 -8.770 0.000) 8.770 14.108 ( 0.000 -12.194 0.000) 12.194 14.121 ( 0.000 -13.405 0.000) 13.405 14.213 ( 0.000 -17.277 0.000) 17.277 15.894 ( 0.000 -12.619 0.000) 12.619 16.041 ( 0.000 -8.440 0.000) 8.440 16.060 ( 0.000 -5.254 0.000) 5.254 16.177 ( 0.000 -1.272 0.000) 1.272 16.607 ( 0.000 -15.983 0.000) 15.983 16.648 ( 0.000 -10.951 0.000) 10.951 16.698 ( 0.000 -12.080 0.000) 12.080 16.806 ( 0.000 -12.959 0.000) 12.959 ======================= Grid point 16 (11/72) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( 9.133 19.460 0.000) 21.497 1.632 ( 5.929 20.230 0.000) 21.081 2.278 ( -5.235 6.453 0.000) 8.310 2.321 ( 0.742 4.909 0.000) 4.965 2.326 ( 4.482 4.632 0.000) 6.445 2.549 ( -0.258 7.608 0.000) 7.613 2.566 ( -12.707 5.378 0.000) 13.798 2.704 ( -1.434 8.418 0.000) 8.539 2.848 ( 1.494 8.889 0.000) 9.014 2.877 ( 4.225 2.950 0.000) 5.153 3.033 ( -4.421 8.677 0.000) 9.739 3.053 ( 6.202 4.724 0.000) 7.796 3.225 ( 5.485 13.146 0.000) 14.244 3.227 ( -3.517 21.062 0.000) 21.354 3.311 ( 8.394 38.016 0.000) 38.931 3.380 ( 3.466 15.308 0.000) 15.696 3.407 ( -5.123 20.218 0.000) 20.857 3.413 ( 5.669 15.124 0.000) 16.151 3.449 ( 1.624 8.988 0.000) 9.133 3.627 ( -3.281 19.040 0.000) 19.321 3.672 ( 0.861 17.113 0.000) 17.135 3.838 ( -1.551 20.777 0.000) 20.835 4.072 ( -6.160 8.527 0.000) 10.519 4.153 ( -4.163 24.799 0.000) 25.145 4.209 ( -12.381 1.393 0.000) 12.460 4.292 ( -9.468 21.036 0.000) 23.068 4.382 ( 6.515 14.453 0.000) 15.853 4.418 ( 3.711 22.810 0.000) 23.110 4.787 ( -3.524 -0.756 0.000) 3.604 4.797 ( 8.908 -4.019 0.000) 9.773 4.916 ( -7.939 -0.270 0.000) 7.944 5.003 ( 0.493 5.349 0.000) 5.371 5.157 ( -1.384 -5.004 0.000) 5.192 5.183 ( 1.343 -6.386 0.000) 6.526 5.430 ( 7.124 -8.051 0.000) 10.750 5.575 ( 1.690 -5.400 0.000) 5.658 6.917 ( -1.606 4.114 0.000) 4.416 7.080 ( 6.902 0.544 0.000) 6.923 7.235 ( -12.351 5.486 0.000) 13.514 7.668 ( -5.009 -1.139 0.000) 5.137 7.865 ( 9.198 -3.213 0.000) 9.743 8.134 ( 4.416 -3.392 0.000) 5.568 8.315 ( -1.687 -14.995 0.000) 15.090 8.406 ( -2.771 -0.358 0.000) 2.794 8.970 ( 5.882 2.790 0.000) 6.510 9.018 ( 6.035 4.869 0.000) 7.755 9.450 ( -6.423 8.542 0.000) 10.687 9.549 ( -8.386 2.196 0.000) 8.669 9.755 ( -1.461 2.126 0.000) 2.580 9.757 ( 6.971 5.117 0.000) 8.647 9.944 ( 12.902 4.768 0.000) 13.755 10.051 ( -0.922 1.190 0.000) 1.505 10.213 ( 5.809 2.340 0.000) 6.263 10.310 ( 6.549 -5.161 0.000) 8.338 10.480 ( -1.114 2.602 0.000) 2.830 10.518 ( -2.438 7.996 0.000) 8.360 10.737 ( 1.713 -1.126 0.000) 2.050 10.756 ( 3.701 -7.554 0.000) 8.412 11.058 ( -0.708 5.917 0.000) 5.959 11.108 ( 7.646 16.851 0.000) 18.504 11.393 ( -2.198 27.108 0.000) 27.197 11.517 ( -4.028 6.015 0.000) 7.239 11.619 ( -2.707 -2.547 0.000) 3.717 11.770 ( 4.634 7.112 0.000) 8.488 11.967 ( -16.331 6.851 0.000) 17.710 12.022 ( 0.945 7.278 0.000) 7.339 12.194 ( -5.376 6.506 0.000) 8.440 12.476 ( -1.932 3.926 0.000) 4.375 12.560 ( -8.145 -2.751 0.000) 8.597 12.686 ( -11.964 2.582 0.000) 12.240 13.146 ( 9.212 -7.524 0.000) 11.894 13.175 ( 5.213 -8.869 0.000) 10.288 13.626 ( 0.395 -9.400 0.000) 9.408 13.915 ( -10.973 -12.700 0.000) 16.783 14.237 ( 2.174 -17.049 0.000) 17.187 14.249 ( 4.659 -13.858 0.000) 14.620 15.905 ( 1.189 -11.449 0.000) 11.510 16.024 ( -1.112 -9.292 0.000) 9.359 16.073 ( 0.583 -4.673 0.000) 4.709 16.158 ( -1.661 -2.580 0.000) 3.069 16.600 ( -0.016 -14.883 0.000) 14.883 16.675 ( -1.760 -12.895 0.000) 13.014 16.697 ( 4.123 -11.476 0.000) 12.194 16.834 ( 1.752 -12.164 0.000) 12.290 ======================= Grid point 17 (12/72) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( 10.354 15.821 0.000) 18.908 1.876 ( 13.587 13.066 0.000) 18.850 2.063 ( -10.389 12.020 0.000) 15.888 2.254 ( -17.733 9.978 0.000) 20.347 2.394 ( 4.444 4.116 0.000) 6.057 2.422 ( 3.131 3.911 0.000) 5.010 2.618 ( 2.857 4.981 0.000) 5.742 2.649 ( -2.708 3.524 0.000) 4.444 2.882 ( 2.022 7.626 0.000) 7.890 2.913 ( -0.632 5.718 0.000) 5.753 3.016 ( 1.590 12.630 0.000) 12.729 3.053 ( -2.635 13.251 0.000) 13.510 3.210 ( 0.709 14.247 0.000) 14.265 3.269 ( -4.819 18.276 0.000) 18.900 3.393 ( 6.949 13.095 0.000) 14.824 3.455 ( 2.702 26.448 0.000) 26.585 3.463 ( 4.883 13.574 0.000) 14.426 3.490 ( 2.934 12.685 0.000) 13.020 3.587 ( 3.477 18.066 0.000) 18.398 3.625 ( 11.134 13.540 0.000) 17.530 3.651 ( -0.423 9.947 0.000) 9.956 3.753 ( -8.765 22.506 0.000) 24.152 3.882 ( -12.323 6.453 0.000) 13.910 3.950 ( -8.657 11.177 0.000) 14.137 4.115 ( -3.757 27.798 0.000) 28.050 4.137 ( -2.634 26.097 0.000) 26.230 4.528 ( 7.024 19.054 0.000) 20.307 4.543 ( 9.314 10.532 0.000) 14.060 4.675 ( -7.200 10.415 0.000) 12.662 4.736 ( -9.853 5.333 0.000) 11.203 4.931 ( 4.612 -3.980 0.000) 6.092 4.988 ( -1.634 -1.387 0.000) 2.143 5.177 ( 1.734 -4.347 0.000) 4.680 5.195 ( -0.081 -5.696 0.000) 5.696 5.545 ( 4.319 -9.537 0.000) 10.470 5.592 ( -0.489 -8.283 0.000) 8.297 6.926 ( 2.804 6.817 0.000) 7.371 7.032 ( -8.052 7.376 0.000) 10.920 7.249 ( 10.280 -0.881 0.000) 10.318 7.471 ( -11.820 -1.857 0.000) 11.965 8.093 ( 10.966 -8.551 0.000) 13.906 8.229 ( 5.001 -1.386 0.000) 5.189 8.253 ( -5.150 -12.572 0.000) 13.586 8.329 ( -4.999 -0.991 0.000) 5.096 9.069 ( 3.611 3.615 0.000) 5.110 9.100 ( 1.144 6.609 0.000) 6.707 9.379 ( -0.818 5.904 0.000) 5.961 9.413 ( -4.521 2.092 0.000) 4.982 9.762 ( 2.246 0.568 0.000) 2.317 9.814 ( -1.775 2.602 0.000) 3.150 10.170 ( 10.992 6.303 0.000) 12.671 10.188 ( 12.103 4.078 0.000) 12.771 10.272 ( -0.391 4.767 0.000) 4.783 10.397 ( -0.167 0.148 0.000) 0.223 10.447 ( -1.810 1.427 0.000) 2.305 10.452 ( -5.991 5.785 0.000) 8.328 10.758 ( -0.860 2.257 0.000) 2.415 10.761 ( 0.190 1.599 0.000) 1.610 11.182 ( 13.377 -4.101 0.000) 13.992 11.258 ( 5.923 17.107 0.000) 18.103 11.342 ( -2.699 23.202 0.000) 23.358 11.453 ( -4.804 3.309 0.000) 5.833 11.556 ( -3.262 -4.188 0.000) 5.309 11.586 ( -14.233 -4.615 0.000) 14.962 11.917 ( 6.738 10.597 0.000) 12.558 12.064 ( -7.762 9.848 0.000) 12.539 12.110 ( 9.274 7.988 0.000) 12.240 12.382 ( -16.749 6.622 0.000) 18.010 12.421 ( -2.549 0.868 0.000) 2.693 12.422 ( -3.823 -2.524 0.000) 4.581 13.304 ( 5.799 -2.974 0.000) 6.516 13.309 ( 5.628 -1.464 0.000) 5.815 13.625 ( 0.389 -12.921 0.000) 12.927 13.711 ( -8.708 -14.450 0.000) 16.871 14.282 ( 1.927 -16.346 0.000) 16.459 14.298 ( 0.551 -15.219 0.000) 15.229 15.941 ( 2.449 -9.601 0.000) 9.908 15.992 ( -2.333 -9.202 0.000) 9.493 16.088 ( 1.265 -4.925 0.000) 5.085 16.121 ( -1.931 -4.474 0.000) 4.872 16.612 ( 1.150 -14.634 0.000) 14.679 16.641 ( -1.682 -14.040 0.000) 14.141 16.785 ( 4.227 -10.942 0.000) 11.730 16.842 ( -1.261 -11.192 0.000) 11.263 ======================= Grid point 20 (13/72) ======================= q-point: ( 0.00 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.934 ( 0.000 16.984 0.000) 16.984 1.961 ( 0.000 16.934 0.000) 16.934 2.372 ( 0.000 4.257 0.000) 4.257 2.401 ( 0.000 3.325 0.000) 3.325 2.422 ( 0.000 6.858 0.000) 6.858 2.685 ( 0.000 -2.393 0.000) 2.393 2.781 ( 0.000 6.194 0.000) 6.194 2.795 ( 0.000 1.468 0.000) 1.468 2.823 ( 0.000 0.949 0.000) 0.949 2.947 ( 0.000 7.710 0.000) 7.710 3.147 ( 0.000 11.378 0.000) 11.378 3.289 ( 0.000 4.484 0.000) 4.484 3.326 ( 0.000 5.824 0.000) 5.824 3.387 ( 0.000 -2.398 0.000) 2.398 3.553 ( 0.000 8.782 0.000) 8.782 3.668 ( 0.000 10.706 0.000) 10.706 3.692 ( 0.000 14.355 0.000) 14.355 3.842 ( 0.000 1.420 0.000) 1.420 3.887 ( 0.000 16.666 0.000) 16.666 3.970 ( 0.000 23.468 0.000) 23.468 4.121 ( 0.000 32.554 0.000) 32.554 4.151 ( 0.000 12.396 0.000) 12.396 4.424 ( 0.000 -1.320 0.000) 1.320 4.425 ( 0.000 17.535 0.000) 17.535 4.481 ( 0.000 -1.594 0.000) 1.594 4.586 ( 0.000 6.102 0.000) 6.102 4.611 ( 0.000 8.351 0.000) 8.351 4.756 ( 0.000 3.998 0.000) 3.998 4.825 ( 0.000 20.104 0.000) 20.104 4.905 ( 0.000 26.106 0.000) 26.106 5.039 ( 0.000 9.663 0.000) 9.663 5.047 ( 0.000 -5.774 0.000) 5.774 5.063 ( 0.000 -5.127 0.000) 5.127 5.224 ( 0.000 15.314 0.000) 15.314 5.323 ( 0.000 6.377 0.000) 6.377 5.517 ( 0.000 1.314 0.000) 1.314 7.029 ( 0.000 5.385 0.000) 5.385 7.059 ( 0.000 5.188 0.000) 5.188 7.543 ( 0.000 3.218 0.000) 3.218 7.550 ( 0.000 1.176 0.000) 1.176 7.872 ( 0.000 -1.192 0.000) 1.192 7.920 ( 0.000 -9.083 0.000) 9.083 8.001 ( 0.000 -15.983 0.000) 15.983 8.350 ( 0.000 -8.869 0.000) 8.869 8.997 ( 0.000 4.967 0.000) 4.967 9.051 ( 0.000 7.273 0.000) 7.273 9.658 ( 0.000 3.555 0.000) 3.555 9.661 ( 0.000 -1.388 0.000) 1.388 9.709 ( 0.000 -9.587 0.000) 9.587 9.755 ( 0.000 9.122 0.000) 9.122 9.925 ( 0.000 6.551 0.000) 6.551 10.020 ( 0.000 -4.587 0.000) 4.587 10.077 ( 0.000 0.059 0.000) 0.059 10.144 ( 0.000 -4.256 0.000) 4.256 10.482 ( 0.000 -1.289 0.000) 1.289 10.754 ( 0.000 12.440 0.000) 12.440 10.764 ( 0.000 13.603 0.000) 13.603 10.779 ( 0.000 6.772 0.000) 6.772 11.233 ( 0.000 2.745 0.000) 2.745 11.410 ( 0.000 17.387 0.000) 17.387 11.578 ( 0.000 -4.563 0.000) 4.563 11.736 ( 0.000 8.665 0.000) 8.665 11.864 ( 0.000 7.495 0.000) 7.495 11.919 ( 0.000 20.309 0.000) 20.309 12.106 ( 0.000 1.438 0.000) 1.438 12.325 ( 0.000 1.721 0.000) 1.721 12.397 ( 0.000 12.126 0.000) 12.126 12.557 ( 0.000 -2.827 0.000) 2.827 12.616 ( 0.000 -2.503 0.000) 2.503 12.690 ( 0.000 -16.914 0.000) 16.914 12.737 ( 0.000 -3.300 0.000) 3.300 12.941 ( 0.000 -8.315 0.000) 8.315 13.471 ( 0.000 -5.457 0.000) 5.457 13.836 ( 0.000 -14.382 0.000) 14.382 13.888 ( 0.000 -10.351 0.000) 10.351 13.899 ( 0.000 -14.231 0.000) 14.231 15.657 ( 0.000 -10.723 0.000) 10.723 15.882 ( 0.000 -7.454 0.000) 7.454 15.973 ( 0.000 -3.739 0.000) 3.739 16.115 ( 0.000 -4.887 0.000) 4.887 16.293 ( 0.000 -14.935 0.000) 14.935 16.443 ( 0.000 -9.503 0.000) 9.503 16.465 ( 0.000 -10.942 0.000) 10.942 16.557 ( 0.000 -11.722 0.000) 11.722 ======================= Grid point 21 (14/72) ======================= q-point: ( 0.20 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.986 ( 5.310 15.863 0.000) 16.728 1.991 ( 3.066 15.683 0.000) 15.980 2.386 ( -4.853 4.231 0.000) 6.438 2.405 ( 3.380 3.454 0.000) 4.832 2.411 ( 1.637 4.172 0.000) 4.482 2.622 ( -6.461 0.649 0.000) 6.494 2.708 ( -0.580 8.046 0.000) 8.067 2.784 ( -4.010 1.210 0.000) 4.189 2.966 ( 7.395 2.977 0.000) 7.972 2.972 ( 3.708 6.660 0.000) 7.622 3.129 ( -1.408 5.797 0.000) 5.965 3.169 ( -3.518 5.299 0.000) 6.360 3.387 ( 3.047 4.977 0.000) 5.836 3.420 ( 2.865 -0.577 0.000) 2.923 3.562 ( -4.985 11.216 0.000) 12.274 3.664 ( 5.450 9.579 0.000) 11.021 3.753 ( -7.083 12.581 0.000) 14.437 3.765 ( 2.209 11.325 0.000) 11.538 3.820 ( -4.497 1.371 0.000) 4.702 3.966 ( -0.796 21.431 0.000) 21.446 4.126 ( -2.158 25.467 0.000) 25.558 4.216 ( 4.400 16.274 0.000) 16.858 4.223 ( -6.878 9.999 0.000) 12.136 4.341 ( -6.478 17.065 0.000) 18.253 4.613 ( 2.572 13.588 0.000) 13.830 4.620 ( 0.873 5.636 0.000) 5.703 4.636 ( 5.204 -4.732 0.000) 7.034 4.757 ( -4.340 19.164 0.000) 19.649 4.827 ( 3.705 9.272 0.000) 9.985 4.893 ( 0.307 14.268 0.000) 14.271 5.019 ( -1.709 11.484 0.000) 11.611 5.095 ( 1.989 -1.543 0.000) 2.517 5.098 ( 3.934 2.193 0.000) 4.504 5.221 ( -0.670 14.967 0.000) 14.982 5.326 ( 1.032 2.453 0.000) 2.661 5.502 ( -1.579 0.006 0.000) 1.579 7.030 ( 1.040 7.157 0.000) 7.232 7.116 ( 4.912 3.164 0.000) 5.843 7.347 ( -9.508 5.304 0.000) 10.887 7.638 ( -7.764 -2.239 0.000) 8.081 7.793 ( 5.649 -4.274 0.000) 7.084 8.002 ( -0.082 -15.312 0.000) 15.312 8.056 ( 6.725 -4.633 0.000) 8.167 8.327 ( -2.262 -7.868 0.000) 8.186 9.031 ( 3.263 3.477 0.000) 4.768 9.134 ( 7.111 6.939 0.000) 9.935 9.495 ( -9.592 -5.169 0.000) 10.896 9.577 ( -4.980 6.892 0.000) 8.503 9.749 ( 0.137 -1.677 0.000) 1.683 9.849 ( 3.826 4.632 0.000) 6.008 10.021 ( 8.464 2.232 0.000) 8.753 10.117 ( 7.129 5.948 0.000) 9.284 10.122 ( 8.844 -5.812 0.000) 10.583 10.266 ( 9.792 -2.709 0.000) 10.160 10.488 ( -0.066 -0.649 0.000) 0.652 10.735 ( -1.788 9.529 0.000) 9.696 10.797 ( 1.993 6.153 0.000) 6.468 10.804 ( 3.811 14.350 0.000) 14.847 11.144 ( -7.877 0.413 0.000) 7.888 11.425 ( 0.883 12.830 0.000) 12.860 11.547 ( -2.926 -4.215 0.000) 5.131 11.694 ( -2.445 10.829 0.000) 11.101 11.861 ( -5.415 18.321 0.000) 19.104 11.863 ( -8.066 1.085 0.000) 8.139 12.048 ( -4.393 2.179 0.000) 4.904 12.172 ( -6.041 5.715 0.000) 8.316 12.303 ( -1.795 3.848 0.000) 4.246 12.490 ( -8.338 -3.277 0.000) 8.959 12.530 ( -2.439 0.848 0.000) 2.582 12.750 ( -8.472 3.222 0.000) 9.064 12.956 ( 16.356 -8.719 0.000) 18.535 12.970 ( 9.165 -10.478 0.000) 13.920 13.468 ( -1.043 -6.242 0.000) 6.329 13.685 ( -10.290 -10.571 0.000) 14.752 13.920 ( 1.974 -14.653 0.000) 14.785 13.967 ( 3.036 -13.984 0.000) 14.310 15.688 ( 2.900 -9.899 0.000) 10.315 15.849 ( -2.236 -8.061 0.000) 8.365 15.988 ( 0.629 -4.259 0.000) 4.306 16.077 ( -3.198 -5.787 0.000) 6.612 16.305 ( 1.019 -13.934 0.000) 13.971 16.432 ( -2.622 -10.946 0.000) 11.256 16.487 ( 4.198 -9.597 0.000) 10.475 16.599 ( 2.784 -11.227 0.000) 11.567 ======================= Grid point 22 (15/72) ======================= q-point: ( 0.40 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( 5.453 12.275 0.000) 13.432 2.123 ( 6.090 11.547 0.000) 13.055 2.272 ( -3.069 8.404 0.000) 8.947 2.414 ( -10.484 5.981 0.000) 12.070 2.467 ( 3.484 3.216 0.000) 4.741 2.498 ( 0.973 3.800 0.000) 3.923 2.685 ( -2.474 0.759 0.000) 2.588 2.709 ( -1.600 3.821 0.000) 4.142 3.037 ( 0.488 8.981 0.000) 8.994 3.040 ( 1.166 7.737 0.000) 7.824 3.165 ( 4.940 0.784 0.000) 5.002 3.186 ( 2.930 4.561 0.000) 5.421 3.424 ( -1.022 4.732 0.000) 4.841 3.483 ( 5.153 2.165 0.000) 5.589 3.525 ( -7.141 6.586 0.000) 9.714 3.575 ( 4.761 5.001 0.000) 6.905 3.710 ( -8.077 1.663 0.000) 8.247 3.716 ( -5.474 0.882 0.000) 5.544 3.821 ( 5.243 16.127 0.000) 16.958 3.915 ( -4.545 17.435 0.000) 18.018 4.052 ( 1.983 17.705 0.000) 17.816 4.160 ( -7.368 19.163 0.000) 20.531 4.274 ( 5.675 28.501 0.000) 29.061 4.328 ( 1.570 19.027 0.000) 19.092 4.631 ( -0.845 14.457 0.000) 14.481 4.634 ( -0.832 19.651 0.000) 19.669 4.666 ( -1.819 9.438 0.000) 9.612 4.669 ( -0.456 -3.431 0.000) 3.462 4.905 ( 3.529 7.908 0.000) 8.660 4.942 ( 1.946 -1.171 0.000) 2.271 4.993 ( 1.166 21.559 0.000) 21.590 5.078 ( -4.091 11.219 0.000) 11.941 5.172 ( 3.083 5.879 0.000) 6.639 5.207 ( -0.703 7.531 0.000) 7.564 5.377 ( 3.835 -2.372 0.000) 4.509 5.453 ( -3.407 -2.417 0.000) 4.177 7.078 ( 3.970 8.248 0.000) 9.154 7.185 ( -6.877 7.560 0.000) 10.220 7.245 ( 8.192 0.534 0.000) 8.210 7.432 ( -10.692 -1.953 0.000) 10.869 7.924 ( 5.362 -8.514 0.000) 10.062 7.989 ( -1.563 -13.020 0.000) 13.114 8.172 ( 5.276 -4.249 0.000) 6.774 8.264 ( -4.065 -5.712 0.000) 7.010 9.115 ( 5.148 2.142 0.000) 5.576 9.213 ( -2.719 4.691 0.000) 5.422 9.397 ( 2.382 -0.566 0.000) 2.449 9.486 ( -4.655 6.082 0.000) 7.659 9.764 ( 2.032 0.058 0.000) 2.033 9.826 ( -3.690 0.238 0.000) 3.697 10.249 ( 11.714 1.161 0.000) 11.771 10.293 ( 7.182 -1.619 0.000) 7.362 10.333 ( 11.064 7.754 0.000) 13.511 10.398 ( 0.879 0.380 0.000) 0.958 10.469 ( -0.195 3.518 0.000) 3.524 10.637 ( -9.797 10.484 0.000) 14.349 10.845 ( 2.228 5.991 0.000) 6.392 10.874 ( -0.078 9.292 0.000) 9.292 11.100 ( 10.549 -4.129 0.000) 11.329 11.426 ( -1.620 1.906 0.000) 2.502 11.475 ( -3.843 -4.521 0.000) 5.934 11.477 ( -21.067 -5.934 0.000) 21.886 11.689 ( 1.480 15.359 0.000) 15.430 11.750 ( -4.754 16.179 0.000) 16.863 12.119 ( 6.630 8.267 0.000) 10.597 12.177 ( 5.263 0.131 0.000) 5.265 12.237 ( -5.447 6.665 0.000) 8.608 12.336 ( -7.827 -2.852 0.000) 8.330 12.488 ( -1.149 4.589 0.000) 4.731 12.539 ( -8.305 6.237 0.000) 10.386 13.202 ( 12.463 -6.986 0.000) 14.288 13.230 ( 10.929 -5.858 0.000) 12.400 13.408 ( -5.187 -7.972 0.000) 9.511 13.463 ( -11.850 -9.817 0.000) 15.389 13.964 ( 2.128 -15.263 0.000) 15.411 13.991 ( -0.378 -15.208 0.000) 15.212 15.754 ( 3.390 -8.705 0.000) 9.342 15.809 ( -2.140 -8.575 0.000) 8.838 15.994 ( 0.386 -5.340 0.000) 5.354 16.019 ( -2.279 -6.353 0.000) 6.750 16.331 ( 1.797 -12.748 0.000) 12.874 16.377 ( -2.765 -11.695 0.000) 12.018 16.578 ( 4.202 -9.699 0.000) 10.570 16.626 ( -0.443 -10.302 0.000) 10.312 ======================= Grid point 25 (16/72) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.207 ( 0.000 10.389 0.000) 10.389 2.244 ( 0.000 11.455 0.000) 11.455 2.440 ( 0.000 0.673 0.000) 0.673 2.452 ( 0.000 3.967 0.000) 3.967 2.547 ( 0.000 5.583 0.000) 5.583 2.633 ( 0.000 -2.710 0.000) 2.710 2.800 ( 0.000 -0.701 0.000) 0.701 2.859 ( 0.000 2.375 0.000) 2.375 2.923 ( 0.000 8.415 0.000) 8.415 3.112 ( 0.000 8.738 0.000) 8.738 3.340 ( 0.000 -2.036 0.000) 2.036 3.356 ( 0.000 2.435 0.000) 2.435 3.382 ( 0.000 12.201 0.000) 12.201 3.395 ( 0.000 1.701 0.000) 1.701 3.654 ( 0.000 2.289 0.000) 2.289 3.756 ( 0.000 0.150 0.000) 0.150 3.842 ( 0.000 0.378 0.000) 0.378 3.869 ( 0.000 3.179 0.000) 3.179 4.074 ( 0.000 1.749 0.000) 1.749 4.270 ( 0.000 -1.002 0.000) 1.002 4.305 ( 0.000 2.545 0.000) 2.545 4.379 ( 0.000 -5.569 0.000) 5.569 4.390 ( 0.000 7.242 0.000) 7.242 4.586 ( 0.000 -6.071 0.000) 6.071 4.674 ( 0.000 3.562 0.000) 3.562 4.697 ( 0.000 14.226 0.000) 14.226 4.736 ( 0.000 13.724 0.000) 13.724 4.877 ( 0.000 4.162 0.000) 4.162 4.975 ( 0.000 6.473 0.000) 6.473 5.164 ( 0.000 14.268 0.000) 14.268 5.182 ( 0.000 16.320 0.000) 16.320 5.329 ( 0.000 17.406 0.000) 17.406 5.391 ( 0.000 20.146 0.000) 20.146 5.566 ( 0.000 17.472 0.000) 17.472 5.574 ( 0.000 16.277 0.000) 16.277 5.625 ( 0.000 8.614 0.000) 8.614 7.175 ( 0.000 5.887 0.000) 5.887 7.183 ( 0.000 9.840 0.000) 9.840 7.562 ( 0.000 -2.100 0.000) 2.100 7.583 ( 0.000 1.692 0.000) 1.692 7.717 ( 0.000 -12.385 0.000) 12.385 7.724 ( 0.000 -10.341 0.000) 10.341 7.807 ( 0.000 -4.267 0.000) 4.267 8.126 ( 0.000 -12.070 0.000) 12.070 9.101 ( 0.000 5.976 0.000) 5.976 9.223 ( 0.000 9.456 0.000) 9.456 9.570 ( 0.000 -2.234 0.000) 2.234 9.631 ( 0.000 -1.433 0.000) 1.433 9.823 ( 0.000 11.886 0.000) 11.886 9.908 ( 0.000 1.507 0.000) 1.507 9.968 ( 0.000 -0.438 0.000) 0.438 10.009 ( 0.000 5.927 0.000) 5.927 10.074 ( 0.000 -2.631 0.000) 2.631 10.117 ( 0.000 4.125 0.000) 4.125 10.511 ( 0.000 5.161 0.000) 5.161 10.925 ( 0.000 7.182 0.000) 7.182 11.043 ( 0.000 15.033 0.000) 15.033 11.074 ( 0.000 14.632 0.000) 14.632 11.148 ( 0.000 -8.054 0.000) 8.054 11.505 ( 0.000 -3.163 0.000) 3.163 11.681 ( 0.000 9.439 0.000) 9.439 11.899 ( 0.000 7.265 0.000) 7.265 11.976 ( 0.000 3.391 0.000) 3.391 12.106 ( 0.000 -0.798 0.000) 0.798 12.131 ( 0.000 -26.890 0.000) 26.890 12.178 ( 0.000 4.738 0.000) 4.738 12.314 ( 0.000 -2.187 0.000) 2.187 12.519 ( 0.000 -6.816 0.000) 6.816 12.616 ( 0.000 9.800 0.000) 9.800 12.663 ( 0.000 3.064 0.000) 3.064 12.713 ( 0.000 1.730 0.000) 1.730 12.868 ( 0.000 1.223 0.000) 1.223 13.395 ( 0.000 -2.734 0.000) 2.734 13.557 ( 0.000 -13.332 0.000) 13.332 13.637 ( 0.000 -12.472 0.000) 12.472 13.686 ( 0.000 -10.442 0.000) 10.442 15.484 ( 0.000 -6.294 0.000) 6.294 15.743 ( 0.000 -6.514 0.000) 6.514 15.882 ( 0.000 -6.761 0.000) 6.761 15.985 ( 0.000 -8.026 0.000) 8.026 16.052 ( 0.000 -7.764 0.000) 7.764 16.272 ( 0.000 -7.672 0.000) 7.672 16.274 ( 0.000 -8.125 0.000) 8.125 16.348 ( 0.000 -9.194 0.000) 9.194 ======================= Grid point 26 (17/72) ======================= q-point: ( 0.20 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( 4.046 10.156 0.000) 10.932 2.253 ( 0.912 10.594 0.000) 10.633 2.438 ( -1.931 1.237 0.000) 2.294 2.469 ( 1.969 3.084 0.000) 3.659 2.498 ( -1.590 4.686 0.000) 4.948 2.612 ( -2.095 -1.258 0.000) 2.444 2.782 ( -3.601 -1.133 0.000) 3.775 2.852 ( -2.391 5.639 0.000) 6.125 2.999 ( 7.523 1.616 0.000) 7.695 3.131 ( 3.398 8.825 0.000) 9.457 3.257 ( -3.804 3.762 0.000) 5.350 3.285 ( -3.536 8.792 0.000) 9.476 3.420 ( 2.129 1.118 0.000) 2.404 3.457 ( 2.593 2.420 0.000) 3.547 3.699 ( -2.902 4.069 0.000) 4.998 3.734 ( 1.574 -0.674 0.000) 1.712 3.841 ( -4.197 1.350 0.000) 4.409 3.859 ( -4.138 -0.523 0.000) 4.170 3.889 ( -3.693 1.786 0.000) 4.103 4.255 ( -3.902 3.572 0.000) 5.290 4.312 ( -0.214 9.396 0.000) 9.398 4.430 ( 9.170 0.681 0.000) 9.195 4.492 ( 4.193 -2.770 0.000) 5.025 4.584 ( -0.948 -0.683 0.000) 1.168 4.668 ( -5.583 13.903 0.000) 14.982 4.684 ( -0.143 9.300 0.000) 9.301 4.760 ( 6.240 2.183 0.000) 6.611 4.891 ( 1.529 -2.899 0.000) 3.277 4.971 ( 0.060 10.332 0.000) 10.333 5.158 ( -2.697 17.327 0.000) 17.536 5.182 ( 1.660 13.579 0.000) 13.680 5.315 ( -1.486 15.106 0.000) 15.179 5.407 ( 1.461 19.456 0.000) 19.511 5.547 ( -2.233 17.484 0.000) 17.626 5.585 ( 1.398 17.242 0.000) 17.298 5.626 ( 0.070 11.095 0.000) 11.095 7.185 ( 1.307 6.348 0.000) 6.481 7.211 ( 2.646 7.896 0.000) 8.328 7.430 ( -6.781 2.615 0.000) 7.267 7.566 ( -9.213 -5.096 0.000) 10.529 7.698 ( 4.775 -4.797 0.000) 6.768 7.729 ( 1.142 -11.830 0.000) 11.885 7.947 ( 7.614 -6.007 0.000) 9.698 8.127 ( 0.020 -10.980 0.000) 10.980 9.120 ( 2.067 5.747 0.000) 6.107 9.289 ( 6.385 8.106 0.000) 10.319 9.440 ( -7.711 1.231 0.000) 7.809 9.721 ( 3.917 -0.911 0.000) 4.022 9.760 ( -4.958 11.170 0.000) 12.221 9.951 ( -3.926 5.329 0.000) 6.619 10.009 ( 7.888 -3.240 0.000) 8.528 10.045 ( 8.819 -1.989 0.000) 9.040 10.192 ( 9.366 -3.798 0.000) 10.107 10.268 ( 13.061 8.292 0.000) 15.471 10.519 ( 0.645 4.721 0.000) 4.765 10.933 ( 0.802 6.425 0.000) 6.475 10.977 ( -4.239 11.322 0.000) 12.090 11.058 ( -6.147 -5.205 0.000) 8.055 11.130 ( 1.346 16.132 0.000) 16.188 11.460 ( -4.342 -4.294 0.000) 6.107 11.604 ( -7.822 5.813 0.000) 9.746 11.762 ( -18.582 -10.769 0.000) 21.477 11.910 ( 0.841 8.662 0.000) 8.703 12.067 ( 1.772 -0.227 0.000) 1.787 12.091 ( -7.212 4.886 0.000) 8.712 12.200 ( 2.119 -2.202 0.000) 3.056 12.327 ( 0.937 -1.122 0.000) 1.462 12.446 ( -6.121 -2.410 0.000) 6.578 12.536 ( -1.081 2.587 0.000) 2.804 12.756 ( -4.154 -2.855 0.000) 5.041 12.869 ( 7.066 2.369 0.000) 7.452 12.895 ( 13.925 1.638 0.000) 14.021 13.377 ( -2.055 -3.200 0.000) 3.803 13.477 ( -7.175 -10.502 0.000) 12.718 13.648 ( 1.133 -12.966 0.000) 13.016 13.702 ( 0.736 -12.693 0.000) 12.714 15.525 ( 3.766 -6.194 0.000) 7.249 15.704 ( -2.772 -6.466 0.000) 7.035 15.875 ( -0.832 -7.794 0.000) 7.838 15.931 ( -4.235 -8.478 0.000) 9.477 16.087 ( 2.595 -6.986 0.000) 7.452 16.251 ( -2.257 -7.231 0.000) 7.575 16.315 ( 4.057 -7.762 0.000) 8.758 16.392 ( 3.351 -9.406 0.000) 9.985 ======================= Grid point 27 (18/72) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( 2.172 8.359 0.000) 8.637 2.327 ( -0.073 8.621 0.000) 8.621 2.394 ( 3.059 4.287 0.000) 5.267 2.499 ( -2.363 3.057 0.000) 3.864 2.521 ( 2.296 2.224 0.000) 3.197 2.560 ( -1.920 1.942 0.000) 2.731 2.693 ( -1.485 0.132 0.000) 1.491 2.765 ( -5.880 1.798 0.000) 6.148 3.151 ( 5.867 -0.998 0.000) 5.952 3.201 ( -0.393 5.284 0.000) 5.299 3.255 ( 1.561 12.476 0.000) 12.573 3.255 ( 4.012 6.111 0.000) 7.311 3.446 ( 1.375 -0.839 0.000) 1.611 3.519 ( 4.631 1.779 0.000) 4.961 3.570 ( -10.606 -0.749 0.000) 10.633 3.678 ( -4.306 2.414 0.000) 4.937 3.710 ( -4.335 1.810 0.000) 4.697 3.746 ( -2.627 2.315 0.000) 3.501 4.030 ( 8.574 4.395 0.000) 9.634 4.171 ( -5.602 6.682 0.000) 8.719 4.367 ( 5.508 11.092 0.000) 12.385 4.498 ( -6.989 10.364 0.000) 12.500 4.552 ( 2.084 -2.149 0.000) 2.994 4.567 ( 3.432 -2.369 0.000) 4.170 4.599 ( 0.062 8.937 0.000) 8.937 4.659 ( -2.647 5.016 0.000) 5.672 4.883 ( 5.111 -3.494 0.000) 6.191 4.926 ( 0.831 -7.934 0.000) 7.977 4.999 ( 3.060 16.880 0.000) 17.155 5.080 ( -4.700 18.615 0.000) 19.199 5.219 ( 2.127 11.364 0.000) 11.561 5.270 ( -2.879 10.679 0.000) 11.060 5.443 ( 2.194 19.841 0.000) 19.962 5.493 ( -2.908 19.384 0.000) 19.601 5.614 ( 1.202 17.047 0.000) 17.089 5.626 ( -0.159 15.205 0.000) 15.205 7.230 ( 3.301 5.388 0.000) 6.319 7.284 ( 4.806 4.683 0.000) 6.710 7.313 ( -5.135 4.489 0.000) 6.821 7.402 ( -7.271 -0.470 0.000) 7.286 7.753 ( 1.028 -10.395 0.000) 10.446 7.756 ( 1.117 -8.087 0.000) 8.164 8.065 ( 4.289 -6.325 0.000) 7.642 8.118 ( -1.292 -8.487 0.000) 8.585 9.186 ( 4.650 5.451 0.000) 7.165 9.296 ( -6.438 4.818 0.000) 8.041 9.455 ( 9.411 5.916 0.000) 11.116 9.633 ( -8.096 8.501 0.000) 11.739 9.786 ( 3.395 2.596 0.000) 4.273 9.864 ( -4.441 3.974 0.000) 5.960 10.193 ( 9.754 -6.416 0.000) 11.675 10.274 ( 12.340 -0.993 0.000) 12.380 10.316 ( 0.004 -7.121 0.000) 7.121 10.441 ( -2.737 5.096 0.000) 5.785 10.634 ( 15.588 8.968 0.000) 17.984 10.881 ( -5.593 4.135 0.000) 6.955 10.939 ( -0.759 2.162 0.000) 2.291 10.958 ( -4.961 7.704 0.000) 9.163 11.147 ( 4.000 5.931 0.000) 7.154 11.381 ( -17.497 -2.547 0.000) 17.681 11.383 ( -1.594 -1.768 0.000) 2.380 11.435 ( -7.397 0.345 0.000) 7.405 11.931 ( 0.903 8.672 0.000) 8.719 11.971 ( -4.008 6.419 0.000) 7.567 12.140 ( 6.126 -1.935 0.000) 6.424 12.255 ( 3.617 3.550 0.000) 5.068 12.295 ( -8.746 -2.044 0.000) 8.982 12.319 ( -2.191 1.619 0.000) 2.724 12.554 ( 2.403 2.589 0.000) 3.533 12.631 ( -5.719 3.231 0.000) 6.569 13.072 ( 11.440 -4.839 0.000) 12.421 13.138 ( 10.042 -2.451 0.000) 10.337 13.301 ( -10.154 -7.176 0.000) 12.434 13.304 ( -5.602 -3.147 0.000) 6.426 13.676 ( 1.516 -13.801 0.000) 13.884 13.701 ( -0.824 -13.984 0.000) 14.009 15.605 ( 3.738 -6.124 0.000) 7.174 15.659 ( -2.034 -6.419 0.000) 6.734 15.855 ( -0.887 -8.640 0.000) 8.685 15.863 ( -2.104 -8.930 0.000) 9.174 16.137 ( 2.658 -6.437 0.000) 6.964 16.195 ( -3.178 -6.580 0.000) 7.308 16.400 ( 3.695 -8.228 0.000) 9.019 16.435 ( 0.368 -8.926 0.000) 8.934 ======================= Grid point 30 (19/72) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.353 ( 0.000 4.632 0.000) 4.632 2.416 ( 0.000 5.858 0.000) 5.858 2.438 ( 0.000 -0.579 0.000) 0.579 2.539 ( 0.000 4.839 0.000) 4.839 2.582 ( 0.000 -2.323 0.000) 2.323 2.650 ( 0.000 5.076 0.000) 5.076 2.772 ( 0.000 -2.053 0.000) 2.053 2.892 ( 0.000 0.153 0.000) 0.153 3.109 ( 0.000 9.636 0.000) 9.636 3.280 ( 0.000 7.165 0.000) 7.165 3.320 ( 0.000 0.298 0.000) 0.298 3.404 ( 0.000 3.418 0.000) 3.418 3.406 ( 0.000 -0.299 0.000) 0.299 3.624 ( 0.000 11.740 0.000) 11.740 3.677 ( 0.000 0.409 0.000) 0.409 3.731 ( 0.000 -1.748 0.000) 1.748 3.850 ( 0.000 -3.697 0.000) 3.697 3.882 ( 0.000 3.644 0.000) 3.644 4.017 ( 0.000 -5.416 0.000) 5.416 4.172 ( 0.000 -7.048 0.000) 7.048 4.178 ( 0.000 -8.496 0.000) 8.496 4.288 ( 0.000 -2.921 0.000) 2.921 4.408 ( 0.000 -10.594 0.000) 10.594 4.567 ( 0.000 -2.021 0.000) 2.021 4.684 ( 0.000 2.325 0.000) 2.325 4.755 ( 0.000 3.946 0.000) 3.946 4.968 ( 0.000 9.298 0.000) 9.298 5.003 ( 0.000 6.936 0.000) 6.936 5.350 ( 0.000 19.815 0.000) 19.815 5.437 ( 0.000 11.545 0.000) 11.545 5.462 ( 0.000 11.182 0.000) 11.182 5.622 ( 0.000 11.168 0.000) 11.168 5.715 ( 0.000 12.161 0.000) 12.161 5.800 ( 0.000 7.742 0.000) 7.742 5.876 ( 0.000 12.899 0.000) 12.899 5.878 ( 0.000 12.912 0.000) 12.912 7.272 ( 0.000 3.508 0.000) 3.508 7.400 ( 0.000 11.313 0.000) 11.313 7.455 ( 0.000 -7.211 0.000) 7.211 7.507 ( 0.000 -9.292 0.000) 9.292 7.511 ( 0.000 -8.280 0.000) 8.280 7.630 ( 0.000 1.567 0.000) 1.567 7.744 ( 0.000 -2.114 0.000) 2.114 7.914 ( 0.000 -8.717 0.000) 8.717 9.242 ( 0.000 8.176 0.000) 8.176 9.389 ( 0.000 6.403 0.000) 6.403 9.601 ( 0.000 -1.738 0.000) 1.738 9.633 ( 0.000 7.725 0.000) 7.725 9.806 ( 0.000 -8.440 0.000) 8.440 10.028 ( 0.000 7.018 0.000) 7.018 10.032 ( 0.000 -2.232 0.000) 2.232 10.098 ( 0.000 15.445 0.000) 15.445 10.181 ( 0.000 8.451 0.000) 8.451 10.225 ( 0.000 6.035 0.000) 6.035 10.661 ( 0.000 8.331 0.000) 8.331 10.867 ( 0.000 -15.134 0.000) 15.134 11.041 ( 0.000 3.981 0.000) 3.981 11.301 ( 0.000 9.708 0.000) 9.708 11.424 ( 0.000 3.519 0.000) 3.519 11.450 ( 0.000 10.759 0.000) 10.759 11.543 ( 0.000 -25.189 0.000) 25.189 11.865 ( 0.000 3.873 0.000) 3.873 11.999 ( 0.000 -0.581 0.000) 0.581 12.014 ( 0.000 3.859 0.000) 3.859 12.092 ( 0.000 -0.608 0.000) 0.608 12.144 ( 0.000 -5.053 0.000) 5.053 12.266 ( 0.000 -3.097 0.000) 3.097 12.386 ( 0.000 -6.050 0.000) 6.050 12.744 ( 0.000 5.290 0.000) 5.290 12.798 ( 0.000 8.838 0.000) 8.838 12.799 ( 0.000 6.225 0.000) 6.225 12.950 ( 0.000 6.021 0.000) 6.021 13.311 ( 0.000 -11.450 0.000) 11.450 13.334 ( 0.000 -4.040 0.000) 4.040 13.392 ( 0.000 -12.176 0.000) 12.176 13.467 ( 0.000 -11.455 0.000) 11.455 15.418 ( 0.000 -0.153 0.000) 0.153 15.628 ( 0.000 -4.874 0.000) 4.874 15.714 ( 0.000 -8.309 0.000) 8.309 15.807 ( 0.000 -9.574 0.000) 9.574 15.980 ( 0.000 -0.997 0.000) 0.997 16.137 ( 0.000 -5.931 0.000) 5.931 16.145 ( 0.000 -4.790 0.000) 4.790 16.193 ( 0.000 -6.244 0.000) 6.244 ======================= Grid point 31 (20/72) ======================= q-point: ( 0.20 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.385 ( 3.109 3.884 0.000) 4.975 2.415 ( -0.098 5.845 0.000) 5.846 2.448 ( 0.675 -0.022 0.000) 0.676 2.533 ( 0.301 3.388 0.000) 3.402 2.582 ( -0.141 -1.514 0.000) 1.520 2.604 ( -3.351 5.878 0.000) 6.767 2.746 ( -3.086 -2.381 0.000) 3.898 2.890 ( -2.752 -1.539 0.000) 3.153 3.079 ( 0.533 6.231 0.000) 6.254 3.297 ( 3.197 6.409 0.000) 7.162 3.336 ( -3.804 5.434 0.000) 6.633 3.379 ( 3.306 -0.109 0.000) 3.307 3.491 ( 4.452 0.885 0.000) 4.539 3.533 ( -4.322 9.978 0.000) 10.874 3.693 ( -0.456 -3.223 0.000) 3.255 3.772 ( 1.035 3.537 0.000) 3.685 3.817 ( -3.726 -2.156 0.000) 4.305 3.832 ( -9.667 -1.028 0.000) 9.722 3.937 ( 5.061 4.032 0.000) 6.471 4.237 ( 5.053 -6.481 0.000) 8.218 4.270 ( -1.423 -4.073 0.000) 4.315 4.286 ( 4.874 -10.057 0.000) 11.176 4.496 ( 8.211 -9.537 0.000) 12.585 4.553 ( -1.095 -3.505 0.000) 3.672 4.704 ( 1.872 3.682 0.000) 4.131 4.773 ( 1.483 2.396 0.000) 2.817 4.907 ( -5.877 9.420 0.000) 11.103 4.937 ( -5.619 6.436 0.000) 8.544 5.342 ( -0.352 18.305 0.000) 18.308 5.444 ( -0.351 11.291 0.000) 11.297 5.454 ( -0.285 11.510 0.000) 11.514 5.577 ( -3.982 9.962 0.000) 10.728 5.734 ( 2.421 13.214 0.000) 13.434 5.848 ( 3.348 9.449 0.000) 10.025 5.866 ( -0.949 13.452 0.000) 13.486 5.892 ( 1.247 12.664 0.000) 12.725 7.277 ( 0.514 3.612 0.000) 3.648 7.405 ( 0.464 10.037 0.000) 10.048 7.423 ( -4.495 -3.491 0.000) 5.691 7.449 ( -1.881 -5.848 0.000) 6.143 7.534 ( 2.182 -7.701 0.000) 8.004 7.640 ( 0.485 -0.267 0.000) 0.554 7.833 ( 6.202 -5.199 0.000) 8.093 7.924 ( 0.933 -9.023 0.000) 9.071 9.263 ( 2.266 8.534 0.000) 8.830 9.425 ( 3.825 5.830 0.000) 6.973 9.565 ( -3.892 9.984 0.000) 10.716 9.698 ( 7.330 -2.056 0.000) 7.613 9.856 ( 4.721 -8.851 0.000) 10.031 10.010 ( -7.485 13.170 0.000) 15.148 10.065 ( 3.967 4.220 0.000) 5.792 10.117 ( 6.572 -3.745 0.000) 7.564 10.119 ( -3.543 9.342 0.000) 9.991 10.402 ( 13.025 4.191 0.000) 13.683 10.650 ( -1.832 6.471 0.000) 6.725 10.824 ( -3.313 -12.607 0.000) 13.035 11.015 ( -2.881 1.230 0.000) 3.133 11.238 ( -4.509 7.004 0.000) 8.330 11.385 ( -5.870 4.457 0.000) 7.371 11.461 ( -6.198 -16.293 0.000) 17.432 11.475 ( 2.504 12.568 0.000) 12.815 11.697 ( -11.203 4.473 0.000) 12.063 12.005 ( 1.301 -1.478 0.000) 1.969 12.075 ( 0.317 3.329 0.000) 3.344 12.104 ( -3.801 -1.796 0.000) 4.204 12.172 ( 7.355 -0.102 0.000) 7.355 12.283 ( 2.245 -3.536 0.000) 4.189 12.346 ( -4.576 -6.402 0.000) 7.870 12.648 ( -3.331 7.854 0.000) 8.531 12.773 ( -2.760 4.474 0.000) 5.257 12.955 ( 9.431 3.712 0.000) 10.135 12.959 ( 1.554 5.744 0.000) 5.951 13.269 ( -4.097 -10.207 0.000) 10.998 13.315 ( -1.922 -3.650 0.000) 4.125 13.394 ( 0.329 -12.667 0.000) 12.671 13.458 ( -0.894 -11.874 0.000) 11.908 15.452 ( 3.024 -1.048 0.000) 3.201 15.594 ( -2.455 -4.409 0.000) 5.047 15.703 ( -1.114 -8.294 0.000) 8.368 15.756 ( -4.016 -8.711 0.000) 9.592 16.013 ( 2.557 -1.353 0.000) 2.893 16.139 ( -1.123 -4.076 0.000) 4.228 16.176 ( 3.658 -6.162 0.000) 7.166 16.228 ( 3.029 -6.960 0.000) 7.590 ======================= Grid point 32 (21/72) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.416 ( 0.450 5.213 0.000) 5.232 2.435 ( -0.759 2.414 0.000) 2.531 2.476 ( 4.547 3.354 0.000) 5.650 2.550 ( -0.747 2.192 0.000) 2.315 2.565 ( -0.215 3.071 0.000) 3.078 2.574 ( -0.546 -0.259 0.000) 0.604 2.685 ( -0.287 -1.018 0.000) 1.058 2.775 ( -7.119 -0.960 0.000) 7.183 3.152 ( 5.128 1.558 0.000) 5.360 3.242 ( -4.206 1.798 0.000) 4.574 3.405 ( 1.671 -3.418 0.000) 3.804 3.442 ( 8.218 9.251 0.000) 12.374 3.495 ( -4.683 -4.290 0.000) 6.351 3.524 ( 1.056 14.065 0.000) 14.104 3.608 ( -2.833 5.799 0.000) 6.454 3.676 ( -8.169 0.566 0.000) 8.189 3.785 ( 1.549 0.709 0.000) 1.704 3.798 ( 0.306 3.809 0.000) 3.822 4.065 ( 7.067 1.673 0.000) 7.262 4.191 ( -5.328 -1.388 0.000) 5.506 4.349 ( 1.961 -11.018 0.000) 11.191 4.350 ( 2.964 -9.262 0.000) 9.725 4.565 ( 3.820 -3.665 0.000) 5.293 4.636 ( 2.548 -10.438 0.000) 10.744 4.747 ( 2.145 5.949 0.000) 6.324 4.773 ( -4.850 9.970 0.000) 11.087 4.791 ( 0.039 -0.026 0.000) 0.047 4.833 ( -4.414 5.147 0.000) 6.780 5.353 ( 1.651 15.514 0.000) 15.602 5.401 ( -2.892 13.017 0.000) 13.334 5.467 ( 0.955 10.659 0.000) 10.702 5.502 ( -2.966 9.964 0.000) 10.397 5.791 ( 2.909 14.431 0.000) 14.721 5.839 ( -1.909 14.373 0.000) 14.499 5.901 ( 1.753 10.994 0.000) 11.133 5.913 ( 0.484 12.014 0.000) 12.024 7.294 ( 1.417 2.673 0.000) 3.025 7.339 ( -3.332 -0.250 0.000) 3.342 7.415 ( 0.535 6.092 0.000) 6.115 7.427 ( -0.760 0.790 0.000) 1.096 7.587 ( 2.869 -5.594 0.000) 6.287 7.632 ( -1.450 -3.017 0.000) 3.347 7.925 ( 2.675 -7.523 0.000) 7.984 7.942 ( 0.498 -8.890 0.000) 8.904 9.334 ( 4.808 9.197 0.000) 10.378 9.435 ( -4.720 9.018 0.000) 10.179 9.598 ( 9.238 7.910 0.000) 12.161 9.813 ( -11.196 8.840 0.000) 14.265 9.860 ( 7.825 3.865 0.000) 8.727 9.953 ( 0.879 0.744 0.000) 1.152 10.066 ( 0.775 -1.252 0.000) 1.473 10.131 ( -1.019 -9.889 0.000) 9.941 10.261 ( 10.909 -0.650 0.000) 10.928 10.513 ( -11.110 -0.233 0.000) 11.112 10.684 ( 11.292 -3.945 0.000) 11.961 10.787 ( -0.789 -8.045 0.000) 8.084 10.974 ( 1.860 3.332 0.000) 3.816 11.125 ( -9.215 -0.433 0.000) 9.225 11.280 ( -0.343 14.119 0.000) 14.123 11.372 ( -4.974 -0.222 0.000) 4.979 11.493 ( -0.741 8.723 0.000) 8.754 11.501 ( -5.412 7.282 0.000) 9.073 12.047 ( -1.060 2.347 0.000) 2.576 12.057 ( -0.998 1.964 0.000) 2.203 12.072 ( 5.142 -2.073 0.000) 5.544 12.212 ( -8.092 -5.857 0.000) 9.989 12.286 ( 3.933 0.098 0.000) 3.934 12.320 ( 0.505 -1.794 0.000) 1.864 12.638 ( 1.905 6.406 0.000) 6.683 12.701 ( -3.986 4.827 0.000) 6.260 13.026 ( 5.162 -0.105 0.000) 5.163 13.109 ( 2.987 -1.998 0.000) 3.593 13.176 ( -2.021 -4.593 0.000) 5.018 13.255 ( -4.352 -2.411 0.000) 4.975 13.409 ( 1.131 -13.020 0.000) 13.069 13.435 ( -1.373 -12.594 0.000) 12.668 15.515 ( 2.897 -2.802 0.000) 4.030 15.555 ( -1.547 -3.874 0.000) 4.172 15.679 ( -0.898 -8.129 0.000) 8.179 15.689 ( -2.219 -7.993 0.000) 8.295 16.061 ( 2.317 -1.616 0.000) 2.825 16.105 ( -2.123 -2.616 0.000) 3.369 16.249 ( 2.974 -6.876 0.000) 7.492 16.272 ( 0.782 -7.330 0.000) 7.372 ======================= Grid point 35 (22/72) ======================= q-point: ( 0.00 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.408 ( 0.000 1.384 0.000) 1.384 2.425 ( 0.000 -0.636 0.000) 0.636 2.495 ( 0.000 2.701 0.000) 2.701 2.539 ( 0.000 -2.033 0.000) 2.033 2.637 ( 0.000 4.687 0.000) 4.687 2.718 ( 0.000 -3.399 0.000) 3.399 2.755 ( 0.000 5.403 0.000) 5.403 2.852 ( 0.000 -3.887 0.000) 3.887 3.275 ( 0.000 6.257 0.000) 6.257 3.335 ( 0.000 0.005 0.000) 0.005 3.361 ( 0.000 1.910 0.000) 1.910 3.390 ( 0.000 -1.205 0.000) 1.205 3.528 ( 0.000 7.815 0.000) 7.815 3.655 ( 0.000 -3.753 0.000) 3.753 3.710 ( 0.000 0.157 0.000) 0.157 3.750 ( 0.000 -3.083 0.000) 3.083 3.849 ( 0.000 8.212 0.000) 8.212 3.935 ( 0.000 -1.041 0.000) 1.041 3.957 ( 0.000 0.902 0.000) 0.902 4.010 ( 0.000 -8.081 0.000) 8.081 4.067 ( 0.000 0.347 0.000) 0.347 4.200 ( 0.000 -9.671 0.000) 9.671 4.288 ( 0.000 3.337 0.000) 3.337 4.413 ( 0.000 -8.410 0.000) 8.410 4.783 ( 0.000 3.490 0.000) 3.490 4.807 ( 0.000 0.935 0.000) 0.935 5.096 ( 0.000 3.435 0.000) 3.435 5.104 ( 0.000 2.611 0.000) 2.611 5.599 ( 0.000 4.461 0.000) 4.461 5.610 ( 0.000 3.442 0.000) 3.442 5.652 ( 0.000 10.130 0.000) 10.130 5.746 ( 0.000 0.831 0.000) 0.831 5.880 ( 0.000 4.613 0.000) 4.613 5.903 ( 0.000 2.186 0.000) 2.186 6.057 ( 0.000 4.794 0.000) 4.794 6.058 ( 0.000 4.719 0.000) 4.719 7.322 ( 0.000 2.169 0.000) 2.169 7.344 ( 0.000 -2.810 0.000) 2.810 7.361 ( 0.000 -4.504 0.000) 4.504 7.384 ( 0.000 -4.555 0.000) 4.555 7.609 ( 0.000 9.287 0.000) 9.287 7.667 ( 0.000 1.946 0.000) 1.946 7.706 ( 0.000 -1.938 0.000) 1.938 7.767 ( 0.000 -6.931 0.000) 6.931 9.422 ( 0.000 9.656 0.000) 9.656 9.488 ( 0.000 4.023 0.000) 4.023 9.556 ( 0.000 -2.828 0.000) 2.828 9.619 ( 0.000 -9.916 0.000) 9.916 9.812 ( 0.000 8.828 0.000) 8.828 9.958 ( 0.000 -5.558 0.000) 5.558 10.247 ( 0.000 14.224 0.000) 14.224 10.305 ( 0.000 3.578 0.000) 3.578 10.314 ( 0.000 2.744 0.000) 2.744 10.445 ( 0.000 18.315 0.000) 18.315 10.555 ( 0.000 -16.006 0.000) 16.006 10.741 ( 0.000 -5.256 0.000) 5.256 11.072 ( 0.000 -0.584 0.000) 0.584 11.120 ( 0.000 -11.838 0.000) 11.838 11.394 ( 0.000 -0.017 0.000) 0.017 11.402 ( 0.000 0.819 0.000) 0.819 11.772 ( 0.000 14.790 0.000) 14.790 11.938 ( 0.000 2.823 0.000) 2.823 11.977 ( 0.000 -1.388 0.000) 1.388 12.013 ( 0.000 -9.097 0.000) 9.097 12.060 ( 0.000 1.155 0.000) 1.155 12.077 ( 0.000 -0.841 0.000) 0.841 12.226 ( 0.000 0.583 0.000) 0.583 12.283 ( 0.000 -4.317 0.000) 4.317 12.876 ( 0.000 7.720 0.000) 7.720 12.950 ( 0.000 8.965 0.000) 8.965 12.963 ( 0.000 5.285 0.000) 5.285 13.085 ( 0.000 6.954 0.000) 6.954 13.118 ( 0.000 -5.218 0.000) 5.218 13.156 ( 0.000 -11.066 0.000) 11.066 13.227 ( 0.000 -6.497 0.000) 6.497 13.239 ( 0.000 -11.021 0.000) 11.021 15.474 ( 0.000 5.438 0.000) 5.438 15.563 ( 0.000 -1.232 0.000) 1.232 15.589 ( 0.000 -3.915 0.000) 3.915 15.620 ( 0.000 -8.785 0.000) 8.785 15.986 ( 0.000 1.484 0.000) 1.484 16.039 ( 0.000 -3.837 0.000) 3.837 16.086 ( 0.000 -1.097 0.000) 1.097 16.103 ( 0.000 -2.778 0.000) 2.778 ======================= Grid point 36 (23/72) ======================= q-point: ( 0.20 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.428 ( 1.916 1.101 0.000) 2.210 2.443 ( 1.738 -0.469 0.000) 1.800 2.497 ( 0.213 2.804 0.000) 2.812 2.542 ( 0.368 -1.862 0.000) 1.899 2.615 ( -1.604 3.909 0.000) 4.225 2.689 ( -2.616 -3.344 0.000) 4.246 2.722 ( -3.133 5.744 0.000) 6.543 2.825 ( -3.167 -4.505 0.000) 5.507 3.213 ( -2.756 6.742 0.000) 7.284 3.330 ( -1.764 -4.545 0.000) 4.875 3.385 ( 0.526 3.892 0.000) 3.927 3.442 ( 0.441 0.588 0.000) 0.736 3.501 ( 2.237 3.290 0.000) 3.979 3.606 ( -2.560 -5.324 0.000) 5.907 3.717 ( 2.483 6.511 0.000) 6.969 3.776 ( -0.520 -1.187 0.000) 1.295 3.870 ( 1.016 6.353 0.000) 6.434 3.873 ( -2.816 5.590 0.000) 6.259 3.999 ( 3.260 -2.683 0.000) 4.222 4.050 ( 4.052 -10.376 0.000) 11.139 4.140 ( 4.565 0.678 0.000) 4.615 4.268 ( -1.786 3.668 0.000) 4.080 4.287 ( 7.080 -10.250 0.000) 12.457 4.398 ( -1.055 -8.492 0.000) 8.557 4.798 ( 1.501 3.177 0.000) 3.514 4.817 ( 0.941 1.090 0.000) 1.440 5.035 ( -5.710 3.372 0.000) 6.631 5.040 ( -5.577 2.818 0.000) 6.249 5.601 ( -0.161 4.228 0.000) 4.231 5.607 ( -0.255 3.693 0.000) 3.702 5.615 ( -2.686 8.775 0.000) 9.177 5.690 ( -4.033 1.139 0.000) 4.191 5.926 ( 3.945 5.924 0.000) 7.117 5.965 ( 4.361 2.010 0.000) 4.801 6.056 ( -0.143 5.200 0.000) 5.202 6.065 ( 0.605 4.319 0.000) 4.361 7.337 ( 1.191 2.811 0.000) 3.053 7.350 ( -0.521 -2.185 0.000) 2.246 7.358 ( 1.195 -2.885 0.000) 3.123 7.407 ( 1.787 -4.583 0.000) 4.919 7.602 ( -0.387 8.849 0.000) 8.858 7.671 ( 0.159 2.814 0.000) 2.818 7.741 ( 2.688 -4.096 0.000) 4.899 7.763 ( -0.139 -7.640 0.000) 7.641 9.452 ( 3.113 10.209 0.000) 10.673 9.538 ( 5.319 5.372 0.000) 7.560 9.634 ( 7.551 -4.155 0.000) 8.619 9.659 ( 4.042 -10.418 0.000) 11.174 9.778 ( -2.625 10.751 0.000) 11.067 9.976 ( 0.333 -8.655 0.000) 8.662 10.261 ( -3.799 9.799 0.000) 10.510 10.262 ( 1.920 12.976 0.000) 13.118 10.320 ( -7.776 9.007 0.000) 11.899 10.433 ( 5.654 1.836 0.000) 5.944 10.548 ( -0.198 -14.790 0.000) 14.791 10.640 ( -9.864 -9.844 0.000) 13.936 11.048 ( 0.944 5.190 0.000) 5.275 11.202 ( 4.955 -9.619 0.000) 10.820 11.324 ( -4.908 4.587 0.000) 6.718 11.412 ( -0.908 -2.573 0.000) 2.728 11.773 ( -0.424 14.921 0.000) 14.927 11.804 ( -7.585 6.093 0.000) 9.729 11.924 ( -2.881 -5.513 0.000) 6.221 12.022 ( 0.344 -8.650 0.000) 8.657 12.142 ( 3.394 2.614 0.000) 4.284 12.172 ( 6.503 -0.476 0.000) 6.520 12.209 ( -1.509 -0.543 0.000) 1.603 12.253 ( -2.158 -3.454 0.000) 4.073 12.830 ( -2.652 10.013 0.000) 10.358 12.911 ( -3.256 9.166 0.000) 9.727 13.006 ( 1.728 -3.566 0.000) 3.963 13.069 ( -2.319 2.175 0.000) 3.180 13.109 ( 0.238 -0.618 0.000) 0.663 13.158 ( 1.129 -7.742 0.000) 7.824 13.223 ( -0.587 -5.601 0.000) 5.632 13.239 ( -0.192 -9.714 0.000) 9.716 15.482 ( 0.726 3.898 0.000) 3.965 15.540 ( -1.768 -0.702 0.000) 1.903 15.575 ( -1.246 -4.218 0.000) 4.398 15.595 ( -2.063 -7.198 0.000) 7.488 16.016 ( 2.537 1.530 0.000) 2.962 16.073 ( 3.037 -4.112 0.000) 5.112 16.092 ( 0.274 -0.506 0.000) 0.576 16.122 ( 1.814 -3.513 0.000) 3.954 ======================= Grid point 37 (24/72) ======================= q-point: ( 0.40 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.470 ( 1.991 1.442 0.000) 2.458 2.493 ( 3.235 -0.718 0.000) 3.314 2.497 ( -0.554 3.109 0.000) 3.158 2.545 ( -1.145 -1.858 0.000) 2.183 2.603 ( 0.981 2.532 0.000) 2.715 2.650 ( -3.590 4.547 0.000) 5.793 2.652 ( 0.638 -2.216 0.000) 2.306 2.730 ( -5.723 -3.330 0.000) 6.621 3.215 ( 2.730 4.510 0.000) 5.272 3.300 ( -5.476 4.004 0.000) 6.783 3.316 ( 1.472 -5.171 0.000) 5.377 3.395 ( -5.832 -5.278 0.000) 7.866 3.589 ( 7.484 6.046 0.000) 9.621 3.687 ( 6.415 -2.548 0.000) 6.903 3.718 ( -4.625 3.329 0.000) 5.698 3.760 ( -0.522 3.609 0.000) 3.647 3.846 ( -0.255 9.602 0.000) 9.605 3.859 ( -1.409 8.210 0.000) 8.331 4.063 ( 3.156 -8.736 0.000) 9.289 4.106 ( -0.131 -12.515 0.000) 12.516 4.215 ( 2.503 4.467 0.000) 5.120 4.239 ( -0.750 5.159 0.000) 5.213 4.398 ( 2.952 -11.552 0.000) 11.923 4.399 ( 1.346 -9.685 0.000) 9.778 4.841 ( 2.427 2.622 0.000) 3.572 4.844 ( 2.501 2.231 0.000) 3.352 4.912 ( -5.579 3.838 0.000) 6.772 4.925 ( -5.425 2.386 0.000) 5.926 5.578 ( -0.729 6.892 0.000) 6.930 5.584 ( -1.036 5.206 0.000) 5.309 5.606 ( 0.166 3.049 0.000) 3.053 5.626 ( -2.142 2.065 0.000) 2.975 6.001 ( 3.213 6.372 0.000) 7.136 6.039 ( 2.784 2.578 0.000) 3.794 6.044 ( -1.270 5.977 0.000) 6.110 6.070 ( -0.445 3.442 0.000) 3.471 7.347 ( 0.278 1.310 0.000) 1.339 7.352 ( 0.125 3.200 0.000) 3.202 7.392 ( 2.002 -2.980 0.000) 3.590 7.423 ( -0.626 -3.732 0.000) 3.785 7.616 ( 1.999 6.834 0.000) 7.121 7.658 ( -1.678 4.527 0.000) 4.828 7.770 ( 0.776 -8.317 0.000) 8.354 7.777 ( 0.578 -7.020 0.000) 7.043 9.540 ( 5.576 11.170 0.000) 12.485 9.637 ( -1.630 10.500 0.000) 10.626 9.740 ( 6.817 4.486 0.000) 8.161 9.762 ( 5.528 -10.563 0.000) 11.922 9.875 ( 13.634 -2.599 0.000) 13.880 9.939 ( -2.838 -8.210 0.000) 8.686 10.051 ( -13.557 9.816 0.000) 16.737 10.158 ( -12.034 2.570 0.000) 12.305 10.328 ( 4.608 8.586 0.000) 9.744 10.442 ( -7.823 -2.045 0.000) 8.086 10.545 ( 3.760 -8.845 0.000) 9.611 10.562 ( 1.139 -13.168 0.000) 13.217 11.108 ( 4.682 9.497 0.000) 10.588 11.215 ( -5.869 8.234 0.000) 10.112 11.293 ( 4.285 -7.675 0.000) 8.790 11.369 ( -3.281 -4.750 0.000) 5.773 11.708 ( -1.423 11.717 0.000) 11.803 11.736 ( -2.948 14.799 0.000) 15.090 11.920 ( 2.620 -9.080 0.000) 9.450 11.996 ( -3.555 -9.927 0.000) 10.544 12.167 ( -1.071 3.508 0.000) 3.667 12.172 ( -0.190 5.322 0.000) 5.325 12.255 ( 1.501 -4.315 0.000) 4.568 12.259 ( 1.927 -3.013 0.000) 3.577 12.806 ( 0.492 10.049 0.000) 10.061 12.845 ( -3.082 9.430 0.000) 9.921 13.002 ( -0.733 -8.327 0.000) 8.359 13.016 ( -2.244 -4.154 0.000) 4.722 13.151 ( 2.973 1.102 0.000) 3.171 13.193 ( 1.653 -5.214 0.000) 5.470 13.200 ( -1.516 -3.293 0.000) 3.626 13.226 ( -1.180 -7.276 0.000) 7.371 15.498 ( 0.777 1.082 0.000) 1.332 15.512 ( -0.932 -0.230 0.000) 0.960 15.553 ( -0.690 -4.298 0.000) 4.353 15.558 ( -1.327 -4.933 0.000) 5.108 16.064 ( 2.037 1.828 0.000) 2.737 16.090 ( -0.626 1.141 0.000) 1.302 16.131 ( 2.319 -4.815 0.000) 5.344 16.150 ( 0.473 -4.757 0.000) 4.780 ======================= Grid point 75 (25/72) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.579 ( 0.000 0.000 26.241) 26.241 0.602 ( 0.000 0.000 28.062) 28.062 1.028 ( 0.000 0.000 46.854) 46.854 1.450 ( 0.000 0.000 -11.836) 11.836 1.702 ( 0.000 0.000 -21.670) 21.670 1.964 ( 0.000 0.000 0.235) 0.235 2.112 ( 0.000 0.000 -3.828) 3.828 2.131 ( 0.000 0.000 1.116) 1.116 2.236 ( 0.000 0.000 4.347) 4.347 2.335 ( 0.000 0.000 1.376) 1.376 2.406 ( 0.000 0.000 1.313) 1.313 2.441 ( 0.000 0.000 10.953) 10.953 2.469 ( 0.000 0.000 3.766) 3.766 2.476 ( 0.000 0.000 -4.383) 4.383 2.500 ( 0.000 0.000 2.355) 2.355 2.641 ( 0.000 0.000 -2.009) 2.009 2.657 ( 0.000 0.000 -10.447) 10.447 2.839 ( 0.000 0.000 -12.759) 12.759 2.848 ( 0.000 0.000 -7.843) 7.843 2.853 ( 0.000 0.000 3.571) 3.571 2.985 ( 0.000 0.000 -1.842) 1.842 3.090 ( 0.000 0.000 -22.583) 22.583 3.193 ( 0.000 0.000 12.668) 12.668 3.698 ( 0.000 0.000 12.291) 12.291 4.029 ( 0.000 0.000 10.417) 10.417 4.141 ( 0.000 0.000 -10.627) 10.627 4.241 ( 0.000 0.000 9.723) 9.723 4.627 ( 0.000 0.000 -10.367) 10.367 4.725 ( 0.000 0.000 6.452) 6.452 4.880 ( 0.000 0.000 -9.258) 9.258 5.023 ( 0.000 0.000 -0.027) 0.027 5.265 ( 0.000 0.000 -7.496) 7.496 5.288 ( 0.000 0.000 8.393) 8.393 5.499 ( 0.000 0.000 -1.349) 1.349 5.586 ( 0.000 0.000 4.514) 4.514 5.672 ( 0.000 0.000 0.021) 0.021 7.007 ( 0.000 0.000 -2.091) 2.091 7.057 ( 0.000 0.000 -2.759) 2.759 7.603 ( 0.000 0.000 12.432) 12.432 7.744 ( 0.000 0.000 3.774) 3.774 7.790 ( 0.000 0.000 4.656) 4.656 7.943 ( 0.000 0.000 6.516) 6.516 8.193 ( 0.000 0.000 -9.567) 9.567 8.352 ( 0.000 0.000 -5.034) 5.034 8.517 ( 0.000 0.000 -0.425) 0.425 8.843 ( 0.000 0.000 3.609) 3.609 8.947 ( 0.000 0.000 -11.817) 11.817 8.981 ( 0.000 0.000 -0.091) 0.091 9.010 ( 0.000 0.000 7.800) 7.800 9.205 ( 0.000 0.000 -1.136) 1.136 9.819 ( 0.000 0.000 -1.986) 1.986 10.028 ( 0.000 0.000 2.830) 2.830 10.098 ( 0.000 0.000 5.180) 5.180 10.112 ( 0.000 0.000 -1.170) 1.170 10.163 ( 0.000 0.000 -8.133) 8.133 10.434 ( 0.000 0.000 15.023) 15.023 10.469 ( 0.000 0.000 -13.578) 13.578 10.671 ( 0.000 0.000 4.795) 4.795 10.705 ( 0.000 0.000 3.456) 3.456 11.026 ( 0.000 0.000 -6.583) 6.583 11.394 ( 0.000 0.000 11.748) 11.748 11.412 ( 0.000 0.000 -5.147) 5.147 11.443 ( 0.000 0.000 -6.251) 6.251 11.820 ( 0.000 0.000 3.451) 3.451 11.826 ( 0.000 0.000 3.384) 3.384 11.859 ( 0.000 0.000 -5.759) 5.759 12.071 ( 0.000 0.000 0.049) 0.049 12.117 ( 0.000 0.000 -1.399) 1.399 12.716 ( 0.000 0.000 0.793) 0.793 12.748 ( 0.000 0.000 -0.643) 0.643 13.271 ( 0.000 0.000 1.195) 1.195 13.373 ( 0.000 0.000 -2.275) 2.275 14.024 ( 0.000 0.000 3.559) 3.559 14.172 ( 0.000 0.000 -1.810) 1.810 14.745 ( 0.000 0.000 2.571) 2.571 14.935 ( 0.000 0.000 -4.780) 4.780 16.272 ( 0.000 0.000 0.451) 0.451 16.341 ( 0.000 0.000 -2.828) 2.828 16.394 ( 0.000 0.000 -0.240) 0.240 16.411 ( 0.000 0.000 -0.376) 0.376 17.048 ( 0.000 0.000 -1.013) 1.013 17.164 ( 0.000 0.000 -5.387) 5.387 17.274 ( 0.000 0.000 6.417) 6.417 17.384 ( 0.000 0.000 2.235) 2.235 ======================= Grid point 76 (26/72) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( 17.179 0.000 18.774) 25.448 0.802 ( 17.234 0.000 19.759) 26.219 1.384 ( 31.478 0.000 33.803) 46.190 1.505 ( 5.124 0.000 -9.810) 11.067 1.739 ( 3.823 0.000 -19.704) 20.072 1.848 ( -10.719 0.000 1.347) 10.803 2.034 ( -6.671 0.000 -3.672) 7.615 2.092 ( -17.627 0.000 1.728) 17.711 2.170 ( -3.828 0.000 -3.717) 5.336 2.255 ( 1.306 0.000 2.838) 3.124 2.344 ( 0.767 0.000 -0.512) 0.922 2.406 ( -0.525 0.000 -0.068) 0.529 2.458 ( -1.332 0.000 -2.607) 2.928 2.548 ( 4.249 0.000 2.604) 4.984 2.585 ( 9.290 0.000 12.287) 15.403 2.667 ( 1.778 0.000 -0.344) 1.811 2.728 ( 0.716 0.000 -5.603) 5.648 2.854 ( 0.391 0.000 2.452) 2.483 2.923 ( 7.676 0.000 -8.431) 11.401 2.970 ( -1.554 0.000 -1.767) 2.353 2.983 ( 10.144 0.000 -3.768) 10.821 3.174 ( 4.713 0.000 -9.421) 10.534 3.220 ( 5.314 0.000 -2.291) 5.787 3.596 ( -8.351 0.000 8.058) 11.604 3.793 ( -17.075 0.000 16.409) 23.682 3.991 ( -10.887 0.000 -13.896) 17.653 4.284 ( -1.371 0.000 -2.665) 2.997 4.379 ( -19.624 0.000 -3.550) 19.943 4.643 ( -7.868 0.000 1.001) 7.931 4.940 ( 6.180 0.000 -3.047) 6.890 5.113 ( 5.347 0.000 1.091) 5.457 5.202 ( -6.491 0.000 6.649) 9.292 5.362 ( 5.797 0.000 -2.393) 6.271 5.463 ( -1.143 0.000 0.785) 1.386 5.702 ( 8.305 0.000 0.136) 8.306 5.758 ( 6.199 0.000 -0.404) 6.212 6.864 ( -8.085 0.000 0.459) 8.098 7.007 ( -4.080 0.000 -5.112) 6.541 7.330 ( -10.883 0.000 11.545) 15.866 7.755 ( -6.330 0.000 -6.491) 9.067 7.974 ( 3.130 0.000 6.467) 7.185 8.118 ( 19.084 0.000 5.280) 19.801 8.294 ( 8.352 0.000 -1.960) 8.578 8.330 ( -3.653 0.000 1.514) 3.954 8.471 ( -1.911 0.000 -6.683) 6.951 8.768 ( -9.707 0.000 15.670) 18.433 8.777 ( -9.412 0.000 -6.350) 11.354 8.908 ( 1.198 0.000 2.152) 2.463 9.187 ( 9.977 0.000 1.789) 10.136 9.283 ( 6.304 0.000 -0.245) 6.309 9.916 ( 9.154 0.000 -2.114) 9.395 10.016 ( -1.044 0.000 2.057) 2.307 10.074 ( 0.843 0.000 2.149) 2.309 10.087 ( -2.402 0.000 -1.163) 2.669 10.204 ( -0.311 0.000 -2.439) 2.459 10.369 ( -3.955 0.000 1.134) 4.114 10.668 ( -0.199 0.000 4.754) 4.758 10.692 ( 15.905 0.000 -9.297) 18.423 10.696 ( -0.846 0.000 3.677) 3.773 11.138 ( 9.060 0.000 -10.466) 13.843 11.411 ( -0.088 0.000 -5.226) 5.227 11.436 ( -0.645 0.000 -6.126) 6.160 11.522 ( 4.954 0.000 11.366) 12.399 11.823 ( 0.247 0.000 3.468) 3.477 11.829 ( 0.191 0.000 3.436) 3.441 12.007 ( 11.311 0.000 -7.886) 13.789 12.077 ( 0.568 0.000 -0.161) 0.590 12.114 ( -0.303 0.000 -1.310) 1.345 12.481 ( -16.725 0.000 7.167) 18.196 12.633 ( -8.894 0.000 0.704) 8.921 13.214 ( -3.958 0.000 -0.092) 3.960 13.317 ( -5.255 0.000 -2.855) 5.980 14.036 ( 2.723 0.000 3.776) 4.655 14.240 ( 1.406 0.000 -5.046) 5.238 14.746 ( 1.211 0.000 1.761) 2.137 14.918 ( -1.822 0.000 -4.254) 4.628 16.202 ( -2.993 0.000 2.399) 3.835 16.307 ( -3.238 0.000 -0.200) 3.244 16.368 ( -0.220 0.000 -1.418) 1.435 16.446 ( -0.001 0.000 -1.810) 1.810 17.062 ( 1.457 0.000 -1.172) 1.870 17.143 ( -0.982 0.000 -3.355) 3.496 17.283 ( 0.866 0.000 5.399) 5.468 17.372 ( -0.889 0.000 2.460) 2.616 ======================= Grid point 77 (27/72) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( 19.826 0.000 11.148) 22.746 1.196 ( 21.908 0.000 10.958) 24.496 1.505 ( -13.356 0.000 5.643) 14.499 1.632 ( -21.533 0.000 5.338) 22.185 1.711 ( 5.095 0.000 -7.992) 9.478 1.875 ( -9.095 0.000 -5.846) 10.812 1.881 ( 8.324 0.000 -18.072) 19.897 2.040 ( 1.971 0.000 -4.013) 4.471 2.135 ( 26.460 0.000 10.916) 28.623 2.289 ( 2.164 0.000 1.053) 2.406 2.333 ( -1.974 0.000 -0.598) 2.063 2.409 ( 1.063 0.000 -1.150) 1.566 2.433 ( -1.246 0.000 -1.897) 2.270 2.631 ( 3.676 0.000 3.261) 4.914 2.679 ( -0.963 0.000 2.495) 2.674 2.758 ( -12.407 0.000 11.513) 16.926 2.802 ( 7.367 0.000 10.665) 12.962 2.837 ( -6.172 0.000 10.876) 12.505 2.878 ( 2.124 0.000 -0.165) 2.130 2.928 ( -2.580 0.000 -1.433) 2.951 3.062 ( -0.030 0.000 4.577) 4.577 3.166 ( -6.918 0.000 4.050) 8.017 3.401 ( 14.737 0.000 -7.537) 16.553 3.624 ( 13.177 0.000 -7.087) 14.961 3.662 ( 1.704 0.000 -11.204) 11.333 3.755 ( -9.509 0.000 -9.551) 13.478 3.967 ( -17.681 0.000 -6.160) 18.723 4.066 ( -18.903 0.000 -19.281) 27.001 4.673 ( 9.288 0.000 15.251) 17.857 4.891 ( -11.008 0.000 9.175) 14.330 5.137 ( 3.737 0.000 -2.732) 4.629 5.195 ( -0.959 0.000 -1.937) 2.162 5.446 ( 3.059 0.000 1.459) 3.389 5.471 ( 0.619 0.000 1.882) 1.981 5.833 ( 4.134 0.000 -1.020) 4.258 5.850 ( 2.362 0.000 -1.012) 2.569 6.779 ( 0.297 0.000 3.158) 3.172 6.872 ( -8.097 0.000 3.060) 8.656 7.326 ( 8.556 0.000 -2.161) 8.824 7.551 ( -12.540 0.000 -8.224) 14.997 8.065 ( 6.021 0.000 6.351) 8.752 8.203 ( -7.705 0.000 6.071) 9.810 8.359 ( 6.475 0.000 8.761) 10.893 8.429 ( 1.035 0.000 7.320) 7.393 8.500 ( 4.059 0.000 -9.948) 10.744 8.612 ( -7.229 0.000 -8.215) 10.943 8.710 ( 6.086 0.000 9.060) 10.914 8.866 ( -6.195 0.000 1.464) 6.366 9.350 ( 5.729 0.000 2.110) 6.105 9.383 ( 2.470 0.000 1.437) 2.857 10.001 ( 0.036 0.000 0.244) 0.247 10.030 ( -2.790 0.000 -0.954) 2.949 10.084 ( 4.544 0.000 -1.702) 4.852 10.101 ( 1.300 0.000 0.370) 1.351 10.203 ( 2.553 0.000 -3.297) 4.170 10.292 ( -4.377 0.000 -4.412) 6.215 10.667 ( 0.216 0.000 4.569) 4.574 10.678 ( -0.840 0.000 4.163) 4.246 11.036 ( 18.327 0.000 1.966) 18.432 11.302 ( -1.861 0.000 0.677) 1.981 11.412 ( 0.258 0.000 -5.468) 5.474 11.422 ( -0.702 0.000 -5.815) 5.857 11.548 ( 8.843 0.000 4.765) 10.045 11.828 ( 0.253 0.000 3.508) 3.517 11.831 ( 0.009 0.000 3.506) 3.506 11.922 ( -20.719 0.000 -5.373) 21.404 12.091 ( 0.774 0.000 -0.617) 0.990 12.105 ( -0.612 0.000 -1.044) 1.210 12.395 ( 7.183 0.000 4.009) 8.226 12.506 ( -4.150 0.000 0.345) 4.165 13.156 ( -0.962 0.000 -2.605) 2.777 13.202 ( -5.250 0.000 -3.533) 6.328 14.113 ( 4.622 0.000 1.373) 4.821 14.202 ( -4.056 0.000 -1.682) 4.391 14.798 ( 3.507 0.000 -0.712) 3.578 14.867 ( -3.266 0.000 -2.673) 4.221 16.190 ( 1.345 0.000 1.791) 2.240 16.239 ( -3.331 0.000 1.478) 3.644 16.379 ( 1.461 0.000 -2.988) 3.326 16.419 ( -2.238 0.000 -2.521) 3.371 17.101 ( 2.123 0.000 -2.017) 2.928 17.130 ( -0.782 0.000 -2.734) 2.844 17.307 ( 1.650 0.000 3.939) 4.271 17.345 ( -1.913 0.000 2.635) 3.256 ======================= Grid point 80 (28/72) ======================= q-point: ( 0.00 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( 0.000 17.337 20.278) 26.680 0.861 ( 0.000 18.528 21.267) 28.205 1.472 ( 0.000 40.119 27.530) 48.657 1.688 ( 0.000 19.569 -13.418) 23.727 1.755 ( 0.000 5.372 -19.513) 20.239 2.099 ( 0.000 4.547 1.324) 4.736 2.172 ( 0.000 14.378 0.799) 14.400 2.304 ( 0.000 17.417 -3.353) 17.737 2.393 ( 0.000 13.731 4.598) 14.480 2.423 ( 0.000 1.597 4.674) 4.940 2.476 ( 0.000 9.117 4.293) 10.077 2.505 ( 0.000 4.852 2.003) 5.249 2.568 ( 0.000 13.976 0.541) 13.986 2.623 ( 0.000 12.020 -4.267) 12.755 2.662 ( 0.000 14.565 3.255) 14.924 2.668 ( 0.000 5.328 -7.284) 9.024 2.813 ( 0.000 14.247 -1.879) 14.371 2.857 ( 0.000 5.527 -3.329) 6.452 2.877 ( 0.000 2.795 -5.060) 5.780 3.047 ( 0.000 15.371 -0.253) 15.373 3.159 ( 0.000 16.161 -2.449) 16.345 3.169 ( 0.000 8.643 -17.104) 19.164 3.204 ( 0.000 2.464 3.405) 4.203 3.703 ( 0.000 1.025 11.746) 11.791 3.995 ( 0.000 -2.096 4.646) 5.096 4.122 ( 0.000 -0.483 -1.177) 1.273 4.259 ( 0.000 1.953 9.149) 9.356 4.605 ( 0.000 -2.139 -10.229) 10.450 4.673 ( 0.000 -3.371 8.062) 8.738 4.867 ( 0.000 -1.284 -9.817) 9.901 4.999 ( 0.000 -2.061 0.948) 2.268 5.242 ( 0.000 -1.926 -7.072) 7.329 5.254 ( 0.000 -3.344 7.964) 8.638 5.459 ( 0.000 -3.285 -1.405) 3.573 5.553 ( 0.000 -3.275 4.842) 5.846 5.655 ( 0.000 -1.659 -0.417) 1.711 6.974 ( 0.000 -3.216 0.117) 3.219 6.985 ( 0.000 -1.769 -2.172) 2.801 7.550 ( 0.000 -3.919 10.056) 10.792 7.691 ( 0.000 -3.775 2.085) 4.312 7.776 ( 0.000 -0.321 2.909) 2.927 8.060 ( 0.000 0.923 -9.019) 9.066 8.290 ( 0.000 7.126 -4.090) 8.216 8.480 ( 0.000 6.116 -9.984) 11.708 8.681 ( 0.000 16.452 3.771) 16.879 8.825 ( 0.000 0.039 0.880) 0.881 8.972 ( 0.000 2.070 3.511) 4.076 9.113 ( 0.000 13.473 -8.402) 15.878 9.196 ( 0.000 15.906 5.544) 16.845 9.354 ( 0.000 13.390 -0.383) 13.396 9.860 ( 0.000 2.599 1.084) 2.816 10.061 ( 0.000 3.344 0.790) 3.436 10.105 ( 0.000 1.014 5.660) 5.750 10.226 ( 0.000 3.477 -0.508) 3.514 10.291 ( 0.000 15.262 -1.538) 15.339 10.469 ( 0.000 4.342 10.597) 11.452 10.619 ( 0.000 -4.457 -1.812) 4.812 10.627 ( 0.000 -3.659 5.738) 6.805 10.683 ( 0.000 10.948 -16.101) 19.470 11.047 ( 0.000 -1.582 -6.797) 6.978 11.248 ( 0.000 -2.033 -6.834) 7.130 11.376 ( 0.000 -7.394 -7.749) 10.711 11.626 ( 0.000 8.085 5.539) 9.800 11.670 ( 0.000 -11.532 4.946) 12.548 11.848 ( 0.000 2.295 -1.331) 2.653 11.983 ( 0.000 -4.808 2.993) 5.663 12.008 ( 0.000 11.570 -5.467) 12.796 12.116 ( 0.000 0.519 -2.043) 2.108 12.715 ( 0.000 -0.486 1.158) 1.256 12.772 ( 0.000 1.530 -1.249) 1.975 13.270 ( 0.000 -0.334 1.901) 1.930 13.369 ( 0.000 -1.419 -1.196) 1.856 13.983 ( 0.000 -4.169 4.331) 6.011 14.229 ( 0.000 2.773 -6.785) 7.330 14.658 ( 0.000 -8.542 2.363) 8.863 14.824 ( 0.000 -10.782 -3.993) 11.498 16.205 ( 0.000 -4.732 2.357) 5.287 16.282 ( 0.000 -5.898 -2.551) 6.426 16.321 ( 0.000 -4.824 1.939) 5.199 16.356 ( 0.000 -5.254 -0.101) 5.255 16.987 ( 0.000 -5.888 -0.989) 5.971 17.076 ( 0.000 -7.790 -3.480) 8.532 17.203 ( 0.000 -6.920 6.026) 9.176 17.300 ( 0.000 -7.833 2.520) 8.228 ======================= Grid point 81 (29/72) ======================= q-point: ( 0.20 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( 13.617 13.705 15.414) 24.715 1.044 ( 15.949 17.989 16.088) 28.927 1.695 ( 19.188 28.083 16.915) 37.987 1.741 ( 5.032 19.940 -10.351) 23.023 1.790 ( 5.179 8.054 -11.564) 15.014 2.043 ( -11.124 15.963 1.572) 19.520 2.111 ( -9.927 3.758 -0.045) 10.615 2.158 ( -6.825 4.482 -3.205) 8.772 2.246 ( -6.253 15.650 -2.756) 17.077 2.397 ( 0.482 12.689 1.882) 12.837 2.520 ( 0.677 15.465 -0.789) 15.500 2.551 ( -0.582 12.746 -1.736) 12.876 2.564 ( 3.385 6.771 4.092) 8.605 2.623 ( 4.717 6.646 7.529) 11.095 2.693 ( 2.981 13.151 1.993) 13.632 2.787 ( 2.029 8.491 -0.988) 8.786 2.825 ( 2.119 14.396 -0.495) 14.559 2.946 ( 3.657 3.992 0.083) 5.415 2.990 ( 12.466 3.256 -6.960) 14.644 3.044 ( 0.776 13.144 0.987) 13.204 3.145 ( -1.282 16.245 -1.577) 16.372 3.217 ( 4.131 2.292 5.643) 7.359 3.271 ( 6.261 8.827 -20.879) 23.517 3.615 ( -6.953 2.155 6.807) 9.966 3.795 ( -17.360 0.587 15.828) 23.500 3.975 ( -10.042 -1.105 -12.894) 16.381 4.278 ( -6.837 -0.892 -4.813) 8.409 4.361 ( -12.958 -0.296 -0.200) 12.963 4.630 ( -7.455 -0.949 0.862) 7.564 4.920 ( 6.331 -2.004 -3.037) 7.302 5.087 ( 5.055 -2.366 1.851) 5.880 5.169 ( -6.451 -3.083 7.115) 10.087 5.333 ( 5.597 -2.657 -2.632) 6.731 5.412 ( -1.326 -4.185 1.383) 4.603 5.668 ( 8.049 -3.265 0.273) 8.690 5.732 ( 5.693 -2.498 -0.702) 6.256 6.862 ( -6.535 0.028 0.714) 6.574 6.995 ( -1.512 -0.402 -4.764) 5.014 7.305 ( -10.378 -1.816 10.655) 14.984 7.689 ( -6.469 -3.691 -3.503) 8.231 8.012 ( 11.046 -1.378 -1.125) 11.188 8.112 ( 10.335 -1.691 -0.898) 10.511 8.293 ( -0.597 4.024 -1.278) 4.264 8.515 ( 2.993 4.938 -8.690) 10.434 8.638 ( -3.513 18.861 4.530) 19.712 8.828 ( -4.928 6.584 2.643) 8.639 8.937 ( 1.389 4.661 2.447) 5.445 8.988 ( -7.897 15.140 -1.303) 17.125 9.319 ( 8.338 12.396 3.486) 15.340 9.430 ( 6.328 13.364 0.808) 14.809 9.943 ( 7.613 2.051 -0.360) 7.893 10.036 ( -0.082 -0.025 0.914) 0.918 10.126 ( 0.790 5.664 4.415) 7.224 10.202 ( -2.442 4.407 -1.041) 5.145 10.264 ( -2.824 11.699 -0.489) 12.045 10.410 ( -4.613 4.263 1.279) 6.410 10.604 ( 1.926 -3.709 2.225) 4.734 10.662 ( 1.841 0.044 2.954) 3.481 10.819 ( 10.155 6.049 -5.111) 12.878 11.150 ( 9.238 -1.097 -5.584) 10.850 11.283 ( 2.620 -4.942 -7.449) 9.316 11.379 ( 0.377 -5.920 -7.537) 9.591 11.594 ( -1.733 -3.858 4.212) 5.969 11.714 ( 0.679 -3.037 6.899) 7.569 11.756 ( -4.289 -1.979 -2.022) 5.138 11.971 ( 0.116 -7.034 0.807) 7.081 12.084 ( -2.879 -0.027 -0.012) 2.879 12.146 ( 6.182 7.822 -4.804) 11.067 12.538 ( -13.896 3.794 5.024) 15.256 12.659 ( -8.904 1.356 -0.263) 9.011 13.232 ( -2.333 1.326 0.588) 2.747 13.330 ( -3.493 0.424 -1.941) 4.018 14.001 ( 2.296 -3.941 4.037) 6.091 14.230 ( -1.807 -1.892 -5.083) 5.717 14.675 ( 2.257 -6.974 0.987) 7.396 14.815 ( -0.905 -9.918 -3.616) 10.596 16.170 ( -1.583 -2.787 1.512) 3.544 16.259 ( -2.128 -4.919 -1.190) 5.490 16.317 ( -0.039 -4.424 0.118) 4.425 16.384 ( 0.752 -5.623 -0.722) 5.719 16.999 ( 1.301 -6.103 -1.264) 6.367 17.068 ( -0.497 -7.226 -3.018) 7.847 17.213 ( 0.932 -6.824 5.278) 8.678 17.296 ( -0.461 -7.316 2.250) 7.668 ======================= Grid point 82 (30/72) ======================= q-point: ( 0.40 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( 19.440 8.612 8.958) 23.072 1.391 ( 18.145 18.324 9.963) 27.646 1.674 ( -18.830 5.233 3.433) 19.843 1.716 ( -13.584 16.809 4.519) 22.079 1.915 ( 8.317 14.391 -12.265) 20.657 1.941 ( 3.263 9.722 -12.272) 15.993 2.066 ( -6.505 11.225 -7.955) 15.218 2.107 ( -8.558 11.406 -10.018) 17.427 2.265 ( 26.926 16.162 14.514) 34.596 2.431 ( 2.148 12.809 0.265) 12.991 2.505 ( 0.748 15.048 2.049) 15.206 2.560 ( 1.936 13.296 -1.143) 13.484 2.583 ( -0.414 14.454 0.112) 14.460 2.748 ( 1.135 10.205 3.928) 10.994 2.799 ( -0.005 9.080 5.722) 10.733 2.804 ( 6.941 4.003 13.623) 15.805 2.888 ( 1.724 10.369 7.008) 12.634 2.891 ( -12.489 8.673 8.260) 17.304 3.053 ( 0.333 12.626 1.647) 12.738 3.073 ( -2.050 10.274 -0.497) 10.489 3.121 ( -1.384 12.195 1.744) 12.397 3.218 ( -8.353 6.414 5.330) 11.803 3.420 ( 14.776 2.060 -6.456) 16.256 3.619 ( 8.603 -0.664 -1.835) 8.821 3.674 ( 4.237 2.097 -17.301) 17.936 3.756 ( -7.706 0.388 -9.911) 12.561 3.944 ( -16.784 -2.048 -5.850) 17.892 4.081 ( -18.741 2.149 -19.636) 27.229 4.670 ( 9.178 -0.093 14.782) 17.399 4.882 ( -10.555 -0.813 9.368) 14.136 5.104 ( 3.831 -3.221 -2.320) 5.517 5.163 ( -1.000 -3.043 -1.167) 3.409 5.408 ( 2.502 -3.554 1.464) 4.586 5.425 ( 1.044 -4.094 2.178) 4.753 5.797 ( 4.167 -3.539 -1.065) 5.570 5.817 ( 2.092 -3.270 -1.150) 4.048 6.795 ( 0.660 1.730 3.324) 3.805 6.886 ( -7.583 1.603 3.041) 8.326 7.296 ( 7.718 -2.287 -1.576) 8.202 7.500 ( -11.403 -3.459 -6.298) 13.478 8.130 ( 5.408 2.924 0.454) 6.165 8.236 ( -4.629 1.415 0.736) 4.896 8.394 ( 11.873 -3.018 0.200) 12.253 8.532 ( -2.782 3.862 -3.411) 5.856 8.619 ( 2.623 15.401 2.270) 15.787 8.705 ( -6.186 11.270 0.998) 12.895 8.878 ( -0.925 15.544 3.800) 16.029 8.928 ( -3.696 8.979 2.566) 10.044 9.485 ( 7.171 11.895 3.385) 14.295 9.535 ( 2.535 13.284 2.149) 13.693 10.040 ( 1.596 1.464 -0.299) 2.186 10.074 ( 0.325 1.944 -1.019) 2.219 10.147 ( 1.365 6.372 1.823) 6.767 10.167 ( 0.163 8.652 -0.941) 8.704 10.218 ( 0.906 2.491 -1.243) 2.927 10.313 ( -5.504 2.404 -3.749) 7.080 10.663 ( 2.760 -0.406 3.984) 4.863 10.685 ( 0.350 1.977 3.158) 3.742 11.054 ( 13.173 0.182 4.947) 14.072 11.242 ( -3.245 -7.467 4.351) 9.232 11.359 ( 2.865 -3.545 -7.943) 9.158 11.409 ( 0.160 -0.506 -6.823) 6.844 11.594 ( 7.478 2.179 -0.411) 7.800 11.682 ( -0.539 -8.017 1.969) 8.273 11.733 ( 0.226 -7.759 -1.121) 7.843 11.936 ( -9.870 -4.803 -5.176) 12.136 12.016 ( -1.629 -3.448 2.799) 4.730 12.064 ( -8.584 2.341 1.304) 8.992 12.433 ( 3.241 2.246 3.448) 5.238 12.515 ( -5.107 0.133 0.176) 5.111 13.212 ( 0.664 4.487 -1.302) 4.719 13.257 ( -3.474 4.083 -2.254) 5.815 14.066 ( 4.094 -5.059 1.804) 6.754 14.156 ( -4.838 -5.067 -1.237) 7.114 14.735 ( 3.197 -6.327 -1.133) 7.179 14.787 ( -2.035 -7.881 -2.535) 8.525 16.167 ( 1.249 -2.314 1.142) 2.867 16.209 ( -2.678 -3.018 0.954) 4.147 16.329 ( 1.508 -4.669 -2.148) 5.356 16.368 ( -1.963 -4.940 -1.832) 5.622 17.034 ( 1.896 -6.513 -2.034) 7.082 17.059 ( -0.624 -6.906 -2.602) 7.407 17.238 ( 1.684 -6.689 3.831) 7.890 17.275 ( -1.746 -6.804 2.464) 7.444 ======================= Grid point 85 (31/72) ======================= q-point: ( 0.00 0.13 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( 0.000 21.504 12.060) 24.654 1.252 ( 0.000 20.437 13.485) 24.485 1.903 ( 0.000 9.292 -15.834) 18.359 2.006 ( 0.000 10.355 -15.352) 18.518 2.240 ( 0.000 9.754 -1.221) 9.830 2.338 ( 0.000 34.738 13.458) 37.254 2.461 ( 0.000 8.779 4.189) 9.727 2.576 ( 0.000 7.758 -4.703) 9.072 2.592 ( 0.000 24.386 3.296) 24.608 2.604 ( 0.000 8.025 -0.657) 8.052 2.773 ( 0.000 18.506 7.015) 19.791 2.783 ( 0.000 22.897 -1.783) 22.966 2.805 ( 0.000 6.812 -2.015) 7.104 2.900 ( 0.000 3.754 0.289) 3.765 2.911 ( 0.000 16.926 -0.060) 16.926 2.924 ( 0.000 19.091 1.309) 19.136 3.028 ( 0.000 18.854 1.017) 18.881 3.126 ( 0.000 21.869 -3.017) 22.076 3.211 ( 0.000 21.443 -1.675) 21.508 3.249 ( 0.000 5.808 10.241) 11.773 3.398 ( 0.000 17.910 3.011) 18.161 3.507 ( 0.000 22.492 -20.749) 30.601 3.607 ( 0.000 26.811 -4.473) 27.182 3.756 ( 0.000 4.554 8.393) 9.549 3.971 ( 0.000 0.176 -2.915) 2.920 4.164 ( 0.000 6.399 6.071) 8.820 4.332 ( 0.000 5.873 6.791) 8.979 4.547 ( 0.000 -3.497 -9.407) 10.036 4.605 ( 0.000 -3.425 6.947) 7.746 4.829 ( 0.000 -2.552 -11.152) 11.441 4.966 ( 0.000 -0.436 3.308) 3.336 5.160 ( 0.000 -6.002 7.015) 9.232 5.194 ( 0.000 -2.754 -5.544) 6.190 5.373 ( 0.000 -5.279 -2.421) 5.808 5.461 ( 0.000 -5.850 5.549) 8.063 5.606 ( 0.000 -3.311 -1.406) 3.597 6.946 ( 0.000 0.114 -0.590) 0.601 6.957 ( 0.000 -0.689 -1.492) 1.643 7.495 ( 0.000 -1.137 6.716) 6.811 7.616 ( 0.000 -3.268 1.566) 3.624 7.791 ( 0.000 1.592 0.340) 1.628 8.035 ( 0.000 -2.504 -10.658) 10.948 8.395 ( 0.000 3.922 -0.157) 3.925 8.509 ( 0.000 -3.104 -5.497) 6.313 8.842 ( 0.000 1.690 0.641) 1.807 8.875 ( 0.000 2.382 -1.534) 2.833 9.232 ( 0.000 20.458 4.194) 20.883 9.402 ( 0.000 13.254 -6.464) 14.747 9.553 ( 0.000 17.032 3.386) 17.366 9.635 ( 0.000 11.895 0.854) 11.926 9.858 ( 0.000 -1.746 8.474) 8.652 10.123 ( 0.000 2.772 1.153) 3.002 10.153 ( 0.000 4.185 5.679) 7.054 10.269 ( 0.000 -0.116 5.161) 5.162 10.462 ( 0.000 0.940 2.783) 2.938 10.524 ( 0.000 -3.805 -4.215) 5.678 10.651 ( 0.000 12.192 -1.254) 12.257 10.784 ( 0.000 -3.734 -6.814) 7.769 10.832 ( 0.000 23.390 1.697) 23.451 10.961 ( 0.000 -1.954 0.417) 1.998 11.062 ( 0.000 -19.868 -2.267) 19.997 11.305 ( 0.000 9.465 -15.432) 18.103 11.574 ( 0.000 2.375 5.373) 5.874 11.732 ( 0.000 4.610 2.238) 5.124 11.898 ( 0.000 3.738 3.077) 4.842 12.025 ( 0.000 6.778 1.447) 6.931 12.153 ( 0.000 3.350 -2.150) 3.981 12.231 ( 0.000 9.955 -6.990) 12.164 12.691 ( 0.000 -1.791 1.172) 2.140 12.779 ( 0.000 -1.145 -2.957) 3.171 13.237 ( 0.000 -3.786 2.830) 4.727 13.298 ( 0.000 -5.789 0.408) 5.803 13.864 ( 0.000 -7.455 6.116) 9.642 14.212 ( 0.000 -4.783 -7.120) 8.577 14.422 ( 0.000 -14.457 1.716) 14.559 14.537 ( 0.000 -17.035 -2.649) 17.240 16.110 ( 0.000 -5.536 -1.891) 5.850 16.114 ( 0.000 -10.526 -1.597) 10.647 16.223 ( 0.000 -7.497 0.866) 7.547 16.237 ( 0.000 -3.197 1.448) 3.510 16.829 ( 0.000 -9.426 -0.845) 9.463 16.876 ( 0.000 -11.953 -1.930) 12.107 17.011 ( 0.000 -11.902 4.928) 12.882 17.090 ( 0.000 -12.739 1.793) 12.864 ======================= Grid point 86 (32/72) ======================= q-point: ( 0.20 0.13 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( 8.555 19.171 9.273) 22.950 1.393 ( 13.500 17.546 13.009) 25.678 1.915 ( 1.392 8.923 -15.494) 17.934 2.089 ( 6.726 11.551 -13.674) 19.122 2.184 ( -10.670 6.655 -1.963) 12.728 2.252 ( -5.363 8.828 -3.635) 10.950 2.426 ( -10.293 15.635 3.595) 19.061 2.507 ( 9.240 39.906 10.541) 42.296 2.610 ( 4.845 9.425 5.190) 11.800 2.674 ( 0.713 17.763 5.711) 18.673 2.744 ( -2.102 20.065 -0.539) 20.182 2.786 ( -1.121 11.883 -0.398) 11.943 2.887 ( 5.448 12.267 -1.807) 13.543 2.916 ( 2.070 20.166 0.441) 20.277 2.959 ( 3.337 8.743 4.071) 10.206 3.006 ( 1.885 11.681 1.285) 11.901 3.084 ( 8.328 16.128 1.421) 18.207 3.119 ( 2.757 17.059 -4.032) 17.745 3.213 ( 0.894 14.383 3.880) 14.924 3.315 ( 5.587 12.864 1.485) 14.104 3.376 ( -1.878 18.101 3.889) 18.609 3.557 ( 0.211 22.480 -7.110) 23.578 3.617 ( 4.031 24.726 -14.753) 29.074 3.686 ( -4.684 5.612 5.041) 8.880 3.849 ( -12.651 4.661 4.103) 14.093 3.997 ( -12.077 6.781 -3.175) 14.210 4.243 ( -16.089 -2.323 -6.124) 17.371 4.408 ( -1.723 5.404 2.331) 6.132 4.618 ( -6.102 0.202 -0.951) 6.179 4.860 ( 7.056 -4.044 -3.731) 8.948 5.037 ( 3.211 -1.948 3.310) 5.006 5.089 ( -5.458 -4.701 7.263) 10.229 5.264 ( 4.324 -4.178 -2.579) 6.542 5.312 ( -1.861 -5.634 1.350) 6.085 5.573 ( 7.429 -6.219 0.453) 9.699 5.660 ( 4.170 -4.734 -1.464) 6.477 6.877 ( -3.561 1.739 1.323) 4.178 7.003 ( 1.707 1.203 -4.230) 4.717 7.283 ( -10.252 0.009 8.758) 13.484 7.634 ( -6.908 -2.024 -5.146) 8.849 7.948 ( 14.148 -3.763 0.900) 14.667 8.076 ( 4.322 -1.811 -6.773) 8.236 8.372 ( -2.099 3.272 0.847) 3.979 8.520 ( 0.432 -4.053 -4.293) 5.920 8.900 ( 2.378 5.438 0.147) 5.937 8.927 ( 4.252 3.549 0.036) 5.539 9.188 ( -2.227 17.556 2.389) 17.857 9.299 ( -5.973 14.205 -4.585) 16.077 9.618 ( 4.598 14.748 5.449) 16.381 9.721 ( 6.055 12.915 3.359) 14.655 9.967 ( 9.794 0.502 5.100) 11.054 10.042 ( -1.555 2.508 0.905) 3.087 10.221 ( 0.269 1.764 7.325) 7.540 10.254 ( -0.020 3.635 -0.428) 3.661 10.438 ( -3.254 3.711 0.350) 4.948 10.505 ( -1.881 -2.373 -3.444) 4.586 10.650 ( 1.508 6.732 -0.444) 6.913 10.798 ( -0.243 13.038 -3.929) 13.619 10.904 ( 6.468 6.957 3.903) 10.269 11.005 ( 4.156 -7.573 0.791) 8.674 11.128 ( 5.338 -13.723 -3.667) 15.174 11.344 ( 4.500 7.364 -11.605) 14.462 11.556 ( -1.189 5.645 0.996) 5.854 11.685 ( -3.591 0.692 1.760) 4.059 11.844 ( -10.848 5.870 -2.208) 12.531 11.905 ( -1.605 1.145 2.758) 3.391 12.121 ( -3.573 4.403 2.701) 6.281 12.303 ( 2.142 7.324 -5.561) 9.442 12.588 ( -9.851 0.942 2.195) 10.137 12.661 ( -9.977 -1.044 -0.968) 10.078 13.241 ( 1.444 -1.242 1.342) 2.330 13.303 ( 0.600 -3.502 -0.400) 3.575 13.875 ( 0.992 -8.388 5.111) 9.872 14.126 ( -7.035 -8.965 -3.444) 11.905 14.482 ( 4.248 -12.023 -0.886) 12.782 14.549 ( 0.957 -16.083 -2.564) 16.314 16.092 ( -0.829 -6.287 -0.943) 6.411 16.117 ( 0.172 -7.875 -2.367) 8.225 16.219 ( -0.362 -6.032 1.156) 6.152 16.253 ( 0.556 -5.903 0.869) 5.993 16.834 ( 0.677 -9.928 -1.230) 10.027 16.873 ( -0.184 -11.845 -2.063) 12.024 17.024 ( 1.231 -11.702 4.615) 12.639 17.098 ( 0.374 -12.089 1.527) 12.191 ======================= Grid point 87 (33/72) ======================= q-point: ( 0.40 0.13 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( 14.194 14.165 5.369) 20.759 1.722 ( 16.932 13.976 9.783) 24.036 1.823 ( -13.083 9.668 0.475) 16.275 2.013 ( -1.973 11.486 -7.280) 13.741 2.127 ( -9.429 12.591 -1.830) 15.836 2.166 ( -5.519 6.082 -11.908) 14.466 2.320 ( 8.599 15.833 -8.704) 20.009 2.512 ( -9.345 20.303 -6.988) 23.417 2.724 ( 5.190 23.003 4.772) 24.059 2.769 ( 0.653 12.807 4.303) 13.526 2.796 ( 8.723 23.199 3.349) 25.010 2.825 ( 7.473 5.462 11.876) 15.057 2.897 ( -2.258 13.195 1.956) 13.529 2.987 ( 0.071 12.049 5.286) 13.157 3.000 ( 5.622 24.633 6.210) 26.018 3.038 ( -0.318 13.769 7.559) 15.711 3.095 ( 0.744 16.175 0.064) 16.192 3.243 ( -0.164 18.526 3.084) 18.782 3.304 ( -2.464 13.261 5.506) 14.569 3.317 ( 1.582 17.014 1.857) 17.188 3.469 ( 8.519 8.785 -1.337) 12.310 3.519 ( -2.967 22.220 -2.827) 22.595 3.570 ( -2.519 21.089 0.325) 21.241 3.612 ( 1.549 2.440 2.169) 3.613 3.750 ( -8.642 5.350 -10.904) 14.906 3.824 ( -3.349 6.410 -12.430) 14.381 3.927 ( -3.859 4.706 -10.680) 12.292 4.185 ( -16.572 9.176 -17.654) 25.894 4.679 ( 8.808 1.374 12.736) 15.546 4.871 ( -9.433 0.096 9.084) 13.096 5.014 ( 4.561 -5.570 -1.900) 7.446 5.085 ( -1.696 -4.476 0.128) 4.789 5.315 ( 1.898 -5.514 1.658) 6.063 5.328 ( 1.040 -5.409 1.930) 5.837 5.694 ( 4.085 -6.835 -1.163) 8.047 5.721 ( 1.258 -6.335 -1.529) 6.637 6.854 ( 1.811 4.221 3.471) 5.757 6.945 ( -6.504 4.428 2.528) 8.264 7.256 ( 6.866 -1.547 -1.044) 7.115 7.444 ( -10.845 -2.086 -5.772) 12.461 8.148 ( 5.484 -1.092 -3.935) 6.838 8.195 ( 3.593 -5.309 -4.523) 7.846 8.359 ( 3.974 0.281 3.803) 5.508 8.485 ( -4.901 -5.405 -1.191) 7.393 8.912 ( 0.571 10.853 0.153) 10.869 8.947 ( -2.006 9.767 0.062) 9.971 9.186 ( 1.320 13.954 0.946) 14.048 9.222 ( -2.401 14.415 -0.315) 14.616 9.742 ( 6.599 11.310 6.168) 14.474 9.801 ( 1.220 11.114 6.218) 12.793 10.068 ( 4.580 2.390 -0.718) 5.216 10.141 ( 1.068 6.440 -1.566) 6.713 10.238 ( 4.666 0.544 1.323) 4.880 10.256 ( 0.690 3.016 2.347) 3.883 10.344 ( -3.699 6.609 -0.823) 7.618 10.430 ( -6.176 4.796 -0.520) 7.837 10.715 ( 4.268 3.841 0.741) 5.789 10.780 ( -1.867 6.756 -1.002) 7.081 11.023 ( 4.823 0.695 7.472) 8.920 11.067 ( 0.680 -3.890 1.940) 4.400 11.247 ( 7.433 -6.837 -5.512) 11.506 11.383 ( -3.955 -0.440 -5.661) 6.920 11.609 ( -0.645 -2.896 -3.284) 4.426 11.645 ( -6.487 -1.011 0.555) 6.589 11.669 ( 11.100 8.514 -3.763) 14.486 11.873 ( -4.731 1.959 -2.593) 5.740 12.045 ( -0.966 6.586 6.331) 9.186 12.186 ( -12.836 8.135 -1.789) 15.302 12.451 ( -1.277 -0.499 2.112) 2.518 12.493 ( -5.560 -2.412 0.178) 6.063 13.290 ( 2.687 2.599 -0.168) 3.742 13.317 ( 0.142 1.422 -0.727) 1.603 13.905 ( 2.474 -10.945 2.510) 11.499 13.988 ( -6.113 -11.660 -0.261) 13.168 14.548 ( 2.125 -12.285 -1.921) 12.615 14.564 ( 0.271 -14.084 -2.236) 14.263 16.094 ( 1.064 -5.550 -0.147) 5.653 16.117 ( -0.636 -6.028 -0.868) 6.123 16.215 ( 0.518 -6.368 -0.016) 6.389 16.242 ( -1.539 -6.811 -0.142) 6.984 16.855 ( 1.150 -11.026 -1.749) 11.223 16.870 ( -0.295 -11.624 -2.071) 11.810 17.056 ( 1.908 -11.143 3.319) 11.782 17.090 ( -1.259 -11.189 1.821) 11.405 ======================= Grid point 90 (34/72) ======================= q-point: ( 0.00 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( 0.000 19.753 6.882) 20.917 1.650 ( 0.000 19.000 6.889) 20.210 2.103 ( 0.000 10.324 -9.357) 13.934 2.185 ( 0.000 8.933 -8.670) 12.448 2.403 ( 0.000 6.498 -8.896) 11.017 2.455 ( 0.000 1.242 2.557) 2.842 2.622 ( 0.000 3.715 -4.618) 5.927 2.744 ( 0.000 5.146 -2.531) 5.735 2.870 ( 0.000 5.517 -2.603) 6.101 2.884 ( 0.000 2.896 5.332) 6.068 3.023 ( 0.000 7.294 9.989) 12.368 3.128 ( 0.000 19.736 2.003) 19.837 3.157 ( 0.000 10.692 5.356) 11.959 3.276 ( 0.000 27.943 0.070) 27.943 3.314 ( 0.000 18.641 0.357) 18.645 3.332 ( 0.000 32.885 3.866) 33.111 3.437 ( 0.000 15.293 6.556) 16.639 3.480 ( 0.000 20.631 1.166) 20.664 3.543 ( 0.000 11.127 -3.081) 11.546 3.583 ( 0.000 21.412 0.085) 21.412 3.697 ( 0.000 10.987 8.282) 13.758 3.877 ( 0.000 7.545 -4.110) 8.592 4.006 ( 0.000 26.191 -13.478) 29.455 4.093 ( 0.000 15.411 2.158) 15.561 4.156 ( 0.000 25.124 -7.111) 26.111 4.430 ( 0.000 19.270 3.983) 19.677 4.468 ( 0.000 1.193 -10.218) 10.288 4.525 ( 0.000 9.305 5.350) 10.733 4.541 ( 0.000 -2.674 5.707) 6.302 4.784 ( 0.000 -0.495 -8.627) 8.641 5.012 ( 0.000 2.367 4.742) 5.299 5.027 ( 0.000 -3.720 3.853) 5.356 5.138 ( 0.000 -3.121 -1.852) 3.629 5.267 ( 0.000 -4.054 -4.101) 5.767 5.330 ( 0.000 -6.757 6.625) 9.463 5.529 ( 0.000 -4.043 -2.340) 4.671 6.966 ( 0.000 1.815 -0.118) 1.819 6.975 ( 0.000 2.859 -0.418) 2.889 7.506 ( 0.000 1.962 3.492) 4.005 7.572 ( 0.000 -1.150 1.693) 2.047 7.825 ( 0.000 1.319 -1.686) 2.141 7.968 ( 0.000 -4.223 -8.230) 9.251 8.364 ( 0.000 -10.859 2.396) 11.120 8.440 ( 0.000 -0.287 -0.448) 0.533 8.900 ( 0.000 4.211 0.148) 4.214 8.926 ( 0.000 3.836 -1.140) 4.002 9.524 ( 0.000 7.096 -2.253) 7.445 9.555 ( 0.000 0.943 -4.031) 4.140 9.762 ( 0.000 2.210 3.374) 4.034 9.785 ( 0.000 7.478 2.195) 7.794 9.902 ( 0.000 5.388 8.613) 10.159 10.159 ( 0.000 -0.191 2.747) 2.753 10.194 ( 0.000 -5.627 5.273) 7.711 10.221 ( 0.000 -4.586 2.793) 5.369 10.456 ( 0.000 1.639 -2.144) 2.699 10.516 ( 0.000 1.413 -6.042) 6.205 10.613 ( 0.000 -1.400 -6.015) 6.175 10.635 ( 0.000 -7.516 -4.780) 8.907 11.062 ( 0.000 19.156 3.272) 19.434 11.119 ( 0.000 12.063 1.903) 12.212 11.347 ( 0.000 23.154 -2.045) 23.244 11.561 ( 0.000 14.237 -7.866) 16.266 11.713 ( 0.000 11.185 8.200) 13.869 11.797 ( 0.000 0.373 8.257) 8.266 12.013 ( 0.000 7.030 -0.005) 7.030 12.183 ( 0.000 9.330 1.048) 9.389 12.242 ( 0.000 4.976 -1.291) 5.141 12.395 ( 0.000 6.509 -8.579) 10.769 12.650 ( 0.000 -2.246 0.172) 2.253 12.727 ( 0.000 -3.885 -4.510) 5.952 13.080 ( 0.000 -12.560 3.144) 12.947 13.139 ( 0.000 -10.002 0.319) 10.007 13.706 ( 0.000 -7.902 7.436) 10.850 14.047 ( 0.000 -11.159 -5.613) 12.491 14.119 ( 0.000 -15.059 0.062) 15.060 14.185 ( 0.000 -17.619 -2.303) 17.769 15.884 ( 0.000 -12.035 -0.301) 12.039 15.984 ( 0.000 -6.611 -4.846) 8.197 16.076 ( 0.000 -7.057 2.734) 7.568 16.186 ( 0.000 -2.511 -0.788) 2.632 16.616 ( 0.000 -13.733 0.804) 13.756 16.633 ( 0.000 -9.865 -0.450) 9.875 16.749 ( 0.000 -13.945 3.259) 14.321 16.816 ( 0.000 -14.154 0.455) 14.161 ======================= Grid point 91 (35/72) ======================= q-point: ( 0.20 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( 5.059 18.416 5.169) 19.785 1.738 ( 8.879 16.672 7.842) 20.452 2.104 ( -0.348 9.481 -9.823) 13.657 2.257 ( 5.991 7.247 -6.084) 11.199 2.328 ( -7.720 7.570 -4.141) 11.578 2.398 ( -2.123 5.640 -10.406) 12.025 2.603 ( -4.420 4.597 4.157) 7.613 2.752 ( 0.848 7.526 5.879) 9.587 2.893 ( 5.262 0.042 2.281) 5.735 2.952 ( -2.548 7.927 -4.399) 9.417 3.033 ( 2.165 8.655 5.745) 10.611 3.074 ( 1.424 7.432 4.562) 8.836 3.185 ( -1.621 16.442 -3.062) 16.803 3.267 ( 2.740 14.746 3.562) 15.415 3.329 ( 2.115 27.262 -0.883) 27.359 3.388 ( 3.398 21.631 2.463) 22.034 3.442 ( 1.503 27.099 4.093) 27.447 3.499 ( 2.428 15.664 4.889) 16.588 3.544 ( -1.343 8.929 2.705) 9.426 3.561 ( -1.578 21.179 0.334) 21.241 3.707 ( 0.460 10.821 3.010) 11.241 3.867 ( 0.333 14.507 -2.259) 14.686 3.997 ( -8.371 15.773 0.506) 17.863 4.042 ( 2.175 22.911 -12.340) 26.114 4.164 ( 0.548 26.670 -7.236) 27.640 4.207 ( -14.425 1.005 -4.248) 15.071 4.322 ( -9.921 21.652 3.496) 24.072 4.587 ( 4.744 12.234 4.908) 14.009 4.670 ( -5.159 6.501 -5.763) 10.104 4.760 ( 7.466 -5.613 -3.415) 9.945 4.994 ( -2.891 -4.311 6.139) 8.039 5.047 ( 0.917 3.724 2.785) 4.739 5.168 ( 1.845 -5.241 -0.527) 5.581 5.211 ( -1.214 -3.345 1.478) 3.853 5.427 ( 6.141 -8.128 0.723) 10.213 5.550 ( 1.700 -5.855 -2.325) 6.525 6.936 ( -0.597 4.231 1.687) 4.594 7.040 ( 4.242 2.521 -2.736) 5.642 7.312 ( -10.305 2.882 6.069) 12.302 7.602 ( -6.819 -1.216 -5.609) 8.913 7.880 ( 8.757 -3.235 1.264) 9.420 8.032 ( 4.646 -2.824 -6.732) 8.654 8.355 ( -0.946 -9.043 2.599) 9.457 8.422 ( -1.709 -1.788 0.399) 2.505 8.969 ( 5.532 3.010 0.036) 6.298 9.000 ( 5.965 4.251 -1.270) 7.434 9.429 ( -6.012 5.629 -1.266) 8.333 9.483 ( -5.615 3.491 -4.005) 7.730 9.787 ( 2.186 2.495 5.324) 6.273 9.879 ( 7.150 4.865 4.694) 9.840 10.033 ( 11.765 4.554 7.251) 14.551 10.104 ( -3.566 1.290 5.706) 6.851 10.252 ( 3.944 2.359 2.739) 5.350 10.293 ( 6.037 -7.442 -1.453) 9.692 10.432 ( -1.701 5.764 -2.454) 6.492 10.507 ( -1.663 2.051 -3.768) 4.601 10.620 ( 1.415 -4.078 -6.826) 8.077 10.705 ( 6.090 -5.756 -5.780) 10.180 11.108 ( -0.964 8.175 3.453) 8.926 11.140 ( 6.571 16.962 2.883) 18.417 11.333 ( -1.134 21.708 -1.919) 21.822 11.530 ( -3.397 11.703 -2.884) 12.523 11.694 ( -8.219 -0.539 3.392) 8.907 11.757 ( 4.688 11.800 3.843) 13.266 11.928 ( -16.802 2.686 -3.625) 17.397 12.015 ( -1.740 8.488 -0.695) 8.692 12.245 ( -0.482 7.217 3.711) 8.129 12.433 ( -0.072 5.534 -3.933) 6.789 12.570 ( -7.682 -2.521 0.864) 8.131 12.647 ( -9.557 0.665 -2.866) 9.999 13.151 ( 6.891 -8.145 0.814) 10.700 13.180 ( 5.309 -8.983 0.219) 10.437 13.693 ( -1.530 -9.085 5.566) 10.764 13.899 ( -9.740 -12.553 -1.792) 15.990 14.205 ( 2.819 -16.917 -2.528) 17.336 14.215 ( 3.629 -15.147 -2.531) 15.780 15.895 ( 1.282 -10.978 -0.236) 11.055 15.991 ( 0.396 -6.640 -4.173) 7.853 16.072 ( -0.154 -7.263 2.505) 7.684 16.172 ( -1.484 -3.667 -0.396) 3.976 16.609 ( -0.353 -13.159 0.675) 13.181 16.634 ( -0.175 -10.717 -1.307) 10.798 16.766 ( 1.940 -13.707 3.570) 14.297 16.839 ( 1.590 -13.269 0.174) 13.365 ======================= Grid point 92 (36/72) ======================= q-point: ( 0.40 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( 8.998 14.546 2.523) 17.289 1.966 ( 6.488 11.147 6.493) 14.439 2.029 ( -0.657 10.165 -2.240) 10.430 2.232 ( -0.149 10.673 -5.875) 12.184 2.290 ( -5.452 6.412 -8.636) 12.059 2.357 ( -11.773 10.458 3.568) 16.147 2.523 ( 11.877 5.794 -6.737) 14.833 2.783 ( -12.589 6.524 -3.676) 14.647 2.888 ( 7.831 4.335 8.010) 12.012 2.943 ( 0.834 4.566 3.753) 5.968 3.057 ( -0.525 7.996 3.433) 8.717 3.091 ( -0.164 9.015 5.799) 10.721 3.237 ( 2.510 14.156 -0.503) 14.386 3.280 ( -1.889 19.763 -0.385) 19.856 3.408 ( 6.949 6.747 0.887) 9.726 3.435 ( 2.365 20.631 -0.465) 20.771 3.497 ( -2.290 15.904 -1.560) 16.143 3.533 ( 1.995 11.640 2.204) 12.013 3.548 ( 3.436 14.959 -1.077) 15.387 3.586 ( 5.166 15.806 3.052) 16.906 3.724 ( 2.311 13.072 2.269) 13.467 3.802 ( -9.726 17.459 3.149) 20.232 3.863 ( -4.965 15.998 -0.020) 16.751 3.923 ( -6.301 16.185 -1.835) 17.465 4.073 ( -1.298 25.286 -4.274) 25.677 4.120 ( -7.504 26.109 0.506) 27.171 4.267 ( 8.406 22.634 -12.956) 27.401 4.461 ( -10.629 17.531 -11.866) 23.688 4.745 ( 7.586 5.708 7.760) 12.262 4.875 ( -2.448 -3.299 4.386) 6.010 4.929 ( 1.993 1.950 1.150) 3.016 5.011 ( -3.688 -1.478 0.938) 4.083 5.208 ( 1.906 -4.387 2.148) 5.244 5.222 ( 0.519 -4.623 2.337) 5.206 5.530 ( 3.888 -9.372 -1.107) 10.206 5.570 ( -0.246 -8.482 -1.965) 8.710 6.961 ( 3.385 6.465 3.134) 7.942 7.058 ( -5.000 6.658 1.467) 8.455 7.238 ( 5.588 -0.254 -0.194) 5.597 7.413 ( -10.498 -1.115 -4.959) 11.664 8.053 ( 6.797 -6.935 -2.570) 10.045 8.104 ( 1.541 -5.037 -5.811) 7.843 8.339 ( 0.138 -4.687 3.619) 5.923 8.376 ( -2.873 -3.754 2.524) 5.359 9.055 ( 2.922 4.101 -0.827) 5.103 9.083 ( 1.002 4.983 -1.498) 5.299 9.360 ( -0.351 3.931 -0.867) 4.040 9.394 ( -3.127 3.044 -1.596) 4.647 9.849 ( 4.352 0.829 8.037) 9.177 9.939 ( -3.625 1.635 10.176) 10.925 10.151 ( 10.005 5.623 -1.730) 11.606 10.263 ( 8.051 4.556 4.734) 10.392 10.298 ( 0.161 6.732 1.288) 6.856 10.384 ( 1.516 -1.826 -1.278) 2.696 10.411 ( -0.176 6.426 -2.342) 6.842 10.433 ( -4.937 4.435 -2.401) 7.057 10.681 ( 5.136 -3.201 -3.722) 7.105 10.784 ( -1.915 -1.569 -1.137) 2.725 11.130 ( 6.928 0.389 -2.019) 7.227 11.258 ( 2.021 13.997 -2.031) 14.287 11.318 ( 0.755 17.032 -0.038) 17.048 11.426 ( -7.639 5.913 -2.432) 9.961 11.563 ( -3.835 -2.279 0.737) 4.522 11.605 ( -10.825 -1.174 1.490) 10.990 11.901 ( 8.666 13.017 -0.650) 15.651 12.008 ( -0.828 9.182 -2.702) 9.607 12.226 ( 0.139 9.811 6.121) 11.564 12.367 ( -10.406 9.481 -1.504) 14.157 12.423 ( -5.128 -2.979 0.643) 5.965 12.431 ( -4.183 -1.683 0.540) 4.542 13.294 ( 6.049 -2.538 -0.369) 6.570 13.309 ( 5.047 -2.255 -0.383) 5.541 13.655 ( -1.197 -13.145 2.476) 13.430 13.717 ( -7.638 -14.474 0.300) 16.368 14.250 ( 1.746 -16.851 -2.404) 17.111 14.262 ( 0.738 -15.867 -2.807) 16.131 15.935 ( 2.597 -9.356 -0.137) 9.711 15.982 ( -1.662 -8.044 -1.364) 8.326 16.083 ( 1.650 -6.099 0.605) 6.347 16.129 ( -2.600 -5.063 -0.101) 5.692 16.611 ( 0.523 -13.046 -0.033) 13.056 16.624 ( -0.682 -12.285 -0.952) 12.341 16.816 ( 2.682 -12.389 2.159) 12.858 16.852 ( -0.642 -12.241 0.575) 12.272 ======================= Grid point 95 (37/72) ======================= q-point: ( 0.00 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.965 ( 0.000 14.751 2.691) 14.995 1.991 ( 0.000 14.995 2.433) 15.191 2.293 ( 0.000 8.329 -2.982) 8.847 2.368 ( 0.000 9.021 -2.551) 9.374 2.475 ( 0.000 0.810 1.092) 1.360 2.516 ( 0.000 5.269 -10.875) 12.084 2.705 ( 0.000 4.711 -4.305) 6.382 2.770 ( 0.000 -1.396 0.836) 1.627 2.972 ( 0.000 4.977 6.316) 8.041 2.985 ( 0.000 6.319 -0.997) 6.397 3.132 ( 0.000 6.234 1.707) 6.463 3.270 ( 0.000 2.601 6.010) 6.549 3.424 ( 0.000 8.753 7.254) 11.368 3.548 ( 0.000 -0.545 -1.782) 1.864 3.614 ( 0.000 10.158 2.397) 10.438 3.645 ( 0.000 8.972 1.507) 9.098 3.648 ( 0.000 7.781 -0.546) 7.800 3.777 ( 0.000 3.498 1.038) 3.649 3.907 ( 0.000 18.562 1.782) 18.647 3.982 ( 0.000 16.369 -2.608) 16.575 4.095 ( 0.000 13.892 -6.071) 15.161 4.135 ( 0.000 32.502 5.401) 32.947 4.317 ( 0.000 -2.105 -11.713) 11.901 4.435 ( 0.000 9.800 3.712) 10.480 4.520 ( 0.000 21.275 -6.962) 22.385 4.545 ( 0.000 7.494 6.755) 10.089 4.579 ( 0.000 6.295 -3.537) 7.221 4.782 ( 0.000 2.901 -0.662) 2.976 4.827 ( 0.000 18.217 0.467) 18.223 4.897 ( 0.000 13.369 -2.081) 13.530 4.942 ( 0.000 8.524 1.097) 8.594 5.053 ( 0.000 -3.906 -0.018) 3.906 5.199 ( 0.000 8.395 4.075) 9.332 5.265 ( 0.000 6.889 4.842) 8.420 5.298 ( 0.000 8.106 -2.099) 8.373 5.483 ( 0.000 1.035 -3.128) 3.294 7.038 ( 0.000 5.566 0.758) 5.617 7.059 ( 0.000 5.420 -0.079) 5.420 7.557 ( 0.000 2.777 1.327) 3.078 7.568 ( 0.000 0.635 1.365) 1.505 7.812 ( 0.000 -3.831 -2.890) 4.799 7.864 ( 0.000 -6.454 -4.358) 7.788 8.115 ( 0.000 -12.732 7.636) 14.846 8.343 ( 0.000 -9.665 -1.406) 9.767 9.003 ( 0.000 5.829 0.607) 5.860 9.041 ( 0.000 7.719 -0.835) 7.764 9.529 ( 0.000 0.129 -4.684) 4.686 9.558 ( 0.000 -2.380 -6.113) 6.560 9.786 ( 0.000 0.496 4.951) 4.975 9.909 ( 0.000 5.238 2.359) 5.744 9.965 ( 0.000 -1.691 6.787) 6.994 10.022 ( 0.000 -3.121 0.965) 3.267 10.114 ( 0.000 -4.783 0.863) 4.860 10.130 ( 0.000 -1.069 0.605) 1.228 10.463 ( 0.000 -0.675 -2.018) 2.128 10.575 ( 0.000 5.831 -12.056) 13.392 10.738 ( 0.000 13.763 -0.709) 13.782 10.780 ( 0.000 13.215 -0.867) 13.244 11.327 ( 0.000 6.861 6.125) 9.198 11.449 ( 0.000 17.910 2.697) 18.112 11.672 ( 0.000 9.773 -2.728) 10.147 11.742 ( 0.000 -4.557 12.691) 13.485 11.822 ( 0.000 10.502 -3.742) 11.149 11.995 ( 0.000 13.853 3.469) 14.280 12.117 ( 0.000 3.104 1.298) 3.365 12.322 ( 0.000 2.236 0.534) 2.299 12.397 ( 0.000 10.985 -0.249) 10.988 12.492 ( 0.000 3.341 -9.778) 10.333 12.600 ( 0.000 -11.612 -2.341) 11.845 12.603 ( 0.000 -2.757 -0.920) 2.907 12.800 ( 0.000 -10.026 4.498) 10.989 12.931 ( 0.000 -9.276 -0.974) 9.327 13.557 ( 0.000 -7.033 6.628) 9.664 13.801 ( 0.000 -12.926 -3.455) 13.380 13.844 ( 0.000 -12.574 -3.300) 13.000 13.854 ( 0.000 -15.465 -3.401) 15.835 15.657 ( 0.000 -10.292 0.859) 10.328 15.858 ( 0.000 -5.949 -7.546) 9.608 15.945 ( 0.000 -6.131 4.911) 7.856 16.123 ( 0.000 -3.820 -1.470) 4.093 16.338 ( 0.000 -14.096 3.629) 14.556 16.437 ( 0.000 -10.896 -0.668) 10.916 16.489 ( 0.000 -10.535 1.935) 10.711 16.554 ( 0.000 -11.618 -0.444) 11.627 ======================= Grid point 96 (38/72) ======================= q-point: ( 0.20 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.998 ( 2.946 14.329 2.021) 14.767 2.041 ( 5.303 13.391 3.193) 14.753 2.273 ( -2.799 7.191 -4.600) 8.983 2.392 ( 2.668 6.073 -0.439) 6.648 2.459 ( -0.969 4.343 -0.846) 4.529 2.501 ( -0.473 5.876 -11.146) 12.609 2.678 ( -3.179 3.152 2.087) 4.940 2.853 ( 2.660 0.282 5.455) 6.075 2.925 ( 3.272 6.622 -2.004) 7.653 3.077 ( 1.791 4.751 -4.877) 7.041 3.132 ( 0.794 4.066 4.759) 6.309 3.168 ( -5.427 3.938 7.491) 10.054 3.400 ( -1.078 3.530 -0.545) 3.731 3.483 ( -6.032 7.538 -2.857) 10.068 3.576 ( 0.869 3.775 7.044) 8.038 3.674 ( 0.562 7.637 -1.359) 7.777 3.719 ( 0.154 6.696 -2.601) 7.185 3.793 ( 2.442 9.494 4.717) 10.878 3.835 ( -4.167 14.026 3.182) 14.974 3.990 ( -1.066 19.984 -0.197) 20.014 4.134 ( -6.010 13.079 -0.188) 14.395 4.149 ( 4.654 16.238 -6.206) 17.996 4.209 ( -0.086 16.393 -0.204) 16.395 4.375 ( -6.529 15.005 3.288) 16.691 4.517 ( 0.231 6.521 -3.307) 7.315 4.545 ( 1.683 19.450 -6.933) 20.717 4.665 ( 4.172 1.667 -0.336) 4.506 4.740 ( -4.417 17.565 -1.876) 18.209 4.881 ( 4.047 8.912 0.440) 9.797 4.907 ( 2.030 11.460 2.490) 11.902 4.945 ( 0.079 8.372 0.267) 8.377 5.096 ( 3.493 1.289 -0.610) 3.773 5.211 ( 0.732 5.429 4.551) 7.122 5.234 ( -2.605 11.374 1.903) 11.823 5.314 ( 1.688 2.104 -0.301) 2.714 5.470 ( -1.358 -0.125 -2.969) 3.268 7.046 ( 1.486 6.782 1.392) 7.081 7.106 ( 4.127 4.161 -0.918) 5.932 7.384 ( -9.045 3.889 3.353) 10.401 7.580 ( -7.717 -1.281 -4.528) 9.038 7.808 ( 5.207 -4.215 1.461) 6.856 7.939 ( 2.970 -7.641 -4.186) 9.204 8.145 ( 2.853 -9.871 6.222) 12.012 8.326 ( -1.651 -8.693 -0.801) 8.885 9.039 ( 3.276 4.221 0.841) 5.409 9.111 ( 5.811 7.062 -1.911) 9.343 9.448 ( -6.125 -2.339 -2.459) 7.002 9.510 ( -3.620 2.515 -4.702) 6.445 9.803 ( 1.185 0.053 4.891) 5.032 9.959 ( 2.955 2.972 6.942) 8.109 10.061 ( 4.403 -4.206 -2.661) 6.645 10.083 ( 9.580 0.075 4.954) 10.785 10.185 ( 8.174 1.214 3.163) 8.848 10.256 ( 11.423 -2.956 -1.124) 11.852 10.460 ( -0.604 0.248 -2.518) 2.601 10.605 ( 3.102 5.117 -11.298) 12.785 10.728 ( -0.967 13.394 -1.100) 13.474 10.795 ( 1.651 12.400 -2.152) 12.694 11.243 ( -8.467 3.012 7.340) 11.603 11.466 ( 0.666 13.576 2.593) 13.837 11.631 ( -4.198 7.551 -2.499) 8.994 11.652 ( -6.565 -0.870 6.009) 8.942 11.781 ( -7.377 9.113 -3.012) 12.105 11.949 ( -15.584 1.850 -1.780) 15.794 11.994 ( 2.762 9.163 1.430) 9.677 12.179 ( -5.036 6.993 -0.662) 8.643 12.380 ( 2.971 5.615 5.431) 8.358 12.484 ( -5.163 -0.803 -0.491) 5.248 12.540 ( -4.294 -0.075 1.218) 4.464 12.697 ( -4.532 3.766 -4.770) 7.581 12.945 ( 13.851 -9.931 0.218) 17.044 12.974 ( 8.816 -10.113 0.103) 13.416 13.529 ( -3.064 -7.362 4.690) 9.251 13.667 ( -9.266 -10.456 -1.614) 14.064 13.874 ( 1.939 -15.773 -3.442) 16.260 13.914 ( 2.650 -15.199 -4.314) 16.020 15.686 ( 2.721 -9.661 0.658) 10.059 15.848 ( -1.173 -7.286 -4.054) 8.420 15.944 ( 0.267 -6.056 1.724) 6.302 16.083 ( -3.413 -5.476 -1.308) 6.584 16.345 ( 0.651 -12.924 3.266) 13.346 16.441 ( -1.523 -8.619 -0.131) 8.754 16.505 ( 3.467 -11.888 2.008) 12.545 16.590 ( 2.552 -11.355 -0.891) 11.672 ======================= Grid point 97 (39/72) ======================= q-point: ( 0.40 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( 4.783 11.774 0.593) 12.722 2.171 ( -1.197 9.285 2.471) 9.683 2.210 ( 5.633 7.922 -2.985) 10.169 2.381 ( -5.408 4.876 -3.671) 8.154 2.453 ( 0.757 8.503 -1.771) 8.718 2.534 ( -7.537 6.477 5.001) 11.125 2.605 ( 10.514 3.512 -3.848) 11.734 2.831 ( -9.583 0.031 2.752) 9.971 3.001 ( 3.522 6.526 -1.682) 7.604 3.022 ( 0.951 4.234 -0.739) 4.402 3.151 ( 0.961 3.169 2.490) 4.143 3.199 ( 0.006 3.433 2.675) 4.352 3.416 ( 2.695 2.820 -2.269) 4.512 3.447 ( 4.941 3.813 -5.992) 8.652 3.583 ( -3.580 5.194 0.963) 6.381 3.631 ( -6.774 2.148 -1.655) 7.297 3.651 ( 1.517 7.009 5.701) 9.161 3.748 ( -6.263 6.816 3.973) 10.073 3.859 ( 3.542 16.542 2.180) 17.057 3.931 ( -3.929 18.313 0.147) 18.730 4.065 ( 2.605 15.863 1.171) 16.119 4.164 ( -5.280 17.702 1.059) 18.503 4.281 ( 4.596 15.269 -3.210) 16.265 4.318 ( 1.125 20.809 2.121) 20.947 4.516 ( 0.402 13.508 -5.660) 14.652 4.558 ( -2.015 13.902 -4.113) 14.637 4.671 ( -0.367 18.749 -1.693) 18.829 4.698 ( -0.934 6.196 -1.441) 6.429 4.913 ( 1.431 9.907 1.134) 10.074 4.939 ( -0.887 9.401 0.464) 9.455 5.012 ( 6.062 9.439 2.605) 11.517 5.118 ( -3.775 9.734 0.106) 10.441 5.196 ( 1.562 4.972 2.994) 6.010 5.225 ( -0.488 6.204 1.854) 6.493 5.365 ( 3.322 -2.578 -0.978) 4.317 5.429 ( -2.844 -2.380 -2.261) 4.343 7.103 ( 4.311 7.486 2.140) 8.900 7.194 ( -0.323 6.336 -0.270) 6.350 7.248 ( 0.546 1.620 1.380) 2.198 7.395 ( -9.566 -0.771 -3.214) 10.121 7.912 ( 4.191 -7.139 -0.523) 8.295 7.960 ( -0.691 -9.103 -2.283) 9.411 8.213 ( 3.739 -6.744 3.249) 8.368 8.281 ( -2.951 -6.999 0.806) 7.638 9.113 ( 3.987 2.870 0.067) 4.913 9.178 ( -1.091 4.824 -2.676) 5.623 9.384 ( 1.235 0.215 -0.708) 1.439 9.442 ( -3.338 3.888 -3.156) 6.018 9.842 ( 3.179 -0.576 7.044) 7.749 9.921 ( -4.351 -1.308 8.072) 9.263 10.223 ( 9.114 0.147 -5.518) 10.655 10.312 ( 6.247 -1.694 -3.160) 7.202 10.343 ( 7.907 2.521 5.829) 10.141 10.442 ( 2.285 2.801 2.618) 4.463 10.470 ( 6.308 6.013 2.039) 8.950 10.629 ( -5.131 8.309 -0.909) 9.808 10.739 ( 4.526 9.191 -7.033) 12.427 10.830 ( -1.175 7.819 -4.892) 9.298 11.100 ( 1.740 -3.049 1.331) 3.755 11.365 ( -17.285 -2.589 -6.969) 18.815 11.483 ( -2.696 0.788 3.552) 4.528 11.526 ( -6.111 -1.217 3.653) 7.223 11.665 ( 0.813 13.418 -1.915) 13.578 11.737 ( -6.433 11.892 -2.189) 13.697 12.123 ( 8.707 6.296 0.744) 10.771 12.170 ( 3.098 7.919 1.121) 8.577 12.331 ( -6.826 -0.750 2.227) 7.219 12.385 ( -8.423 1.459 4.429) 9.628 12.481 ( 1.579 6.695 0.758) 6.920 12.551 ( -5.527 7.594 1.325) 9.485 13.201 ( 12.080 -6.481 -0.129) 13.709 13.215 ( 11.721 -6.338 -0.984) 13.361 13.430 ( -6.894 -8.711 1.619) 11.226 13.463 ( -11.001 -10.077 -0.043) 14.919 13.914 ( 1.853 -16.512 -3.727) 17.029 13.936 ( -0.197 -16.461 -4.312) 17.017 15.750 ( 3.487 -8.827 0.194) 9.493 15.811 ( -2.571 -8.541 -0.703) 8.947 15.965 ( 1.896 -6.416 -0.812) 6.739 16.015 ( -3.155 -6.787 -1.072) 7.560 16.363 ( 1.305 -11.236 2.488) 11.582 16.399 ( -2.227 -9.901 1.418) 10.247 16.583 ( 3.491 -10.670 0.499) 11.237 16.620 ( -0.041 -10.783 -0.654) 10.803 ======================= Grid point 100 (40/72) ======================= q-point: ( 0.00 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( 0.000 8.909 -0.176) 8.910 2.241 ( 0.000 9.948 -0.634) 9.969 2.415 ( 0.000 3.354 -0.194) 3.360 2.502 ( 0.000 2.732 2.697) 3.839 2.514 ( 0.000 5.186 -2.179) 5.625 2.619 ( 0.000 4.429 -4.205) 6.107 2.736 ( 0.000 -1.135 0.263) 1.165 2.801 ( 0.000 4.346 -3.568) 5.623 3.067 ( 0.000 5.401 8.590) 10.147 3.126 ( 0.000 7.906 -0.842) 7.951 3.287 ( 0.000 8.348 -4.374) 9.425 3.298 ( 0.000 0.802 5.259) 5.320 3.511 ( 0.000 -1.757 1.074) 2.060 3.521 ( 0.000 2.738 7.735) 8.206 3.719 ( 0.000 1.872 5.485) 5.795 3.720 ( 0.000 0.715 1.690) 1.835 3.738 ( 0.000 0.841 -9.050) 9.089 3.828 ( 0.000 1.340 -0.985) 1.663 4.127 ( 0.000 -1.310 -9.588) 9.678 4.153 ( 0.000 4.761 3.308) 5.798 4.245 ( 0.000 -3.914 -8.299) 9.176 4.335 ( 0.000 7.749 0.583) 7.771 4.498 ( 0.000 2.699 6.885) 7.395 4.596 ( 0.000 5.646 -3.462) 6.623 4.609 ( 0.000 -3.033 -0.076) 3.034 4.701 ( 0.000 -1.098 1.580) 1.925 4.798 ( 0.000 17.140 1.933) 17.249 4.870 ( 0.000 8.341 -1.795) 8.532 5.031 ( 0.000 7.676 3.788) 8.560 5.089 ( 0.000 14.974 -3.076) 15.286 5.201 ( 0.000 17.298 1.894) 17.401 5.344 ( 0.000 19.496 -2.617) 19.671 5.426 ( 0.000 15.412 4.762) 16.131 5.554 ( 0.000 14.361 -1.595) 14.449 5.562 ( 0.000 16.977 -0.283) 16.979 5.608 ( 0.000 11.396 -1.622) 11.510 7.179 ( 0.000 6.128 0.367) 6.139 7.187 ( 0.000 9.125 0.235) 9.128 7.585 ( 0.000 -4.625 2.070) 5.067 7.586 ( 0.000 0.392 0.341) 0.519 7.650 ( 0.000 -7.127 -3.287) 7.848 7.700 ( 0.000 -9.619 -2.125) 9.851 7.912 ( 0.000 -7.713 6.600) 10.151 8.110 ( 0.000 -11.623 -1.719) 11.750 9.129 ( 0.000 6.991 2.430) 7.401 9.223 ( 0.000 9.944 -0.376) 9.951 9.513 ( 0.000 -0.028 -3.316) 3.317 9.581 ( 0.000 3.064 -4.308) 5.287 9.808 ( 0.000 2.525 -0.002) 2.525 9.894 ( 0.000 -2.975 -2.335) 3.782 9.990 ( 0.000 -1.119 1.837) 2.151 10.061 ( 0.000 7.964 4.625) 9.209 10.065 ( 0.000 1.051 -1.417) 1.764 10.154 ( 0.000 3.206 2.584) 4.118 10.522 ( 0.000 6.704 0.786) 6.750 10.698 ( 0.000 5.263 -11.708) 12.837 11.039 ( 0.000 15.272 -0.119) 15.273 11.076 ( 0.000 15.656 -0.408) 15.661 11.333 ( 0.000 -5.810 10.272) 11.801 11.659 ( 0.000 -2.857 11.556) 11.903 11.728 ( 0.000 6.003 3.825) 7.118 11.787 ( 0.000 4.282 -8.691) 9.688 11.974 ( 0.000 4.768 -1.901) 5.133 12.032 ( 0.000 -12.375 -4.648) 13.219 12.151 ( 0.000 0.612 5.997) 6.028 12.306 ( 0.000 -1.852 6.232) 6.501 12.373 ( 0.000 -5.072 4.108) 6.527 12.498 ( 0.000 -5.555 -2.353) 6.032 12.575 ( 0.000 5.018 -5.717) 7.607 12.594 ( 0.000 6.270 -1.957) 6.569 12.757 ( 0.000 2.611 2.411) 3.554 12.842 ( 0.000 0.854 -1.907) 2.089 13.431 ( 0.000 -5.685 2.907) 6.385 13.549 ( 0.000 -11.878 -1.250) 11.943 13.574 ( 0.000 -12.793 -4.556) 13.580 13.608 ( 0.000 -11.263 -5.938) 12.733 15.489 ( 0.000 -6.256 1.560) 6.448 15.746 ( 0.000 -5.355 -8.787) 10.290 15.825 ( 0.000 -6.033 6.321) 8.738 16.034 ( 0.000 -5.833 -0.682) 5.873 16.064 ( 0.000 -12.350 2.843) 12.673 16.207 ( 0.000 -10.763 -3.095) 11.199 16.337 ( 0.000 -5.906 2.623) 6.462 16.363 ( 0.000 -7.613 1.107) 7.693 ======================= Grid point 101 (41/72) ======================= q-point: ( 0.20 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.230 ( 2.461 8.860 -0.610) 9.215 2.263 ( 2.563 8.845 -0.124) 9.210 2.388 ( -2.913 4.341 -1.610) 5.470 2.490 ( -0.435 3.724 -0.938) 3.865 2.520 ( 1.491 2.845 2.710) 4.203 2.609 ( -0.897 3.756 -4.331) 5.802 2.710 ( -2.352 0.183 1.609) 2.856 2.864 ( 2.518 0.928 -1.866) 3.268 3.061 ( 1.174 6.028 3.915) 7.283 3.160 ( 2.093 5.199 -0.718) 5.650 3.244 ( -0.706 4.915 3.262) 5.941 3.266 ( -6.306 7.958 0.476) 10.164 3.426 ( 1.136 0.985 -0.307) 1.534 3.589 ( -6.146 3.510 -6.094) 9.339 3.606 ( 1.557 -0.261 9.352) 9.485 3.724 ( -0.492 1.000 -2.103) 2.380 3.787 ( -2.621 -0.136 -2.620) 3.709 3.899 ( 6.184 2.190 5.546) 8.591 4.017 ( -6.774 2.407 6.901) 9.965 4.205 ( 1.329 1.171 -4.759) 5.078 4.233 ( 2.976 -3.494 -11.701) 12.569 4.333 ( -1.376 10.626 -0.832) 10.748 4.510 ( -1.293 2.450 -0.780) 2.878 4.555 ( 0.422 5.438 -0.865) 5.522 4.644 ( 0.572 4.134 0.632) 4.221 4.726 ( -0.972 2.376 0.321) 2.587 4.836 ( 4.987 6.975 4.046) 9.481 4.875 ( 2.111 4.860 -0.342) 5.310 5.023 ( -0.531 8.911 3.154) 9.468 5.108 ( 1.913 13.949 -3.762) 14.574 5.188 ( -1.726 16.933 2.774) 17.245 5.341 ( -1.127 15.739 -1.474) 15.848 5.434 ( 0.966 16.751 3.871) 17.220 5.535 ( -1.669 16.773 -0.810) 16.875 5.571 ( 0.856 17.037 -1.102) 17.094 5.605 ( -0.199 12.385 -1.980) 12.544 7.191 ( 1.395 6.133 0.515) 6.311 7.210 ( 2.265 7.480 -0.124) 7.816 7.443 ( -6.878 1.027 1.192) 7.055 7.529 ( -7.946 -4.972 -2.605) 9.729 7.707 ( 4.796 -6.091 0.985) 7.815 7.747 ( 2.083 -8.118 0.451) 8.393 7.982 ( 5.254 -7.641 3.223) 9.818 8.115 ( 0.305 -10.814 -1.340) 10.901 9.145 ( 1.739 6.575 2.316) 7.185 9.277 ( 4.696 9.169 -1.739) 10.448 9.427 ( -5.362 1.629 -0.052) 5.604 9.604 ( -0.036 5.754 -6.957) 9.028 9.815 ( 0.670 1.646 2.864) 3.371 9.987 ( 8.057 -4.383 -1.884) 9.364 10.008 ( -1.610 2.685 2.398) 3.943 10.053 ( 6.344 -1.516 1.902) 6.794 10.201 ( 9.811 -0.387 0.844) 9.855 10.287 ( 11.708 6.927 1.050) 13.645 10.528 ( 0.714 6.243 0.875) 6.344 10.725 ( 3.232 4.918 -10.911) 12.396 10.992 ( -3.666 12.391 1.183) 12.976 11.098 ( 0.345 15.962 -2.789) 16.207 11.208 ( -10.694 -4.257 8.589) 14.361 11.561 ( -10.599 -4.609 2.952) 11.928 11.649 ( -8.470 -0.806 1.002) 8.567 11.717 ( -9.840 1.095 2.923) 10.323 11.875 ( -2.265 4.856 -2.259) 5.815 11.990 ( -3.351 1.510 -4.561) 5.858 12.112 ( -1.368 2.000 1.615) 2.912 12.284 ( -3.199 3.250 2.359) 5.134 12.408 ( 1.494 -2.314 5.958) 6.564 12.486 ( -2.818 -1.609 2.245) 3.945 12.504 ( 2.577 -1.261 0.708) 2.955 12.724 ( -1.982 -0.613 -3.130) 3.755 12.866 ( 7.784 1.713 -0.017) 7.970 12.888 ( 12.268 2.261 -0.634) 12.491 13.403 ( -3.080 -5.373 2.119) 6.545 13.477 ( -6.465 -8.812 -0.299) 10.933 13.581 ( 0.798 -13.740 -5.186) 14.708 13.621 ( 0.431 -13.837 -6.357) 15.233 15.523 ( 3.156 -6.385 0.909) 7.180 15.711 ( -2.917 -6.334 -3.763) 7.924 15.814 ( -0.533 -7.129 0.943) 7.210 15.950 ( -5.742 -8.058 -1.252) 9.973 16.114 ( 3.775 -9.494 3.439) 10.780 16.282 ( 2.386 -8.260 -2.382) 8.921 16.312 ( 0.946 -6.771 3.657) 7.754 16.398 ( 2.311 -7.909 0.095) 8.240 ======================= Grid point 102 (42/72) ======================= q-point: ( 0.40 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( 2.010 7.997 -0.766) 8.282 2.320 ( -2.681 5.430 -2.677) 6.621 2.354 ( 5.433 6.657 0.453) 8.604 2.462 ( -3.871 3.365 -2.171) 5.570 2.570 ( 1.935 3.005 2.633) 4.439 2.604 ( -0.375 1.701 1.274) 2.158 2.672 ( 2.833 2.177 1.038) 3.720 2.813 ( -7.452 -1.622 0.652) 7.655 3.099 ( 1.584 3.800 -0.978) 4.231 3.130 ( -2.089 4.683 -4.185) 6.618 3.248 ( 3.618 8.130 1.676) 9.055 3.296 ( 1.689 7.576 2.141) 8.052 3.449 ( 1.806 1.558 -2.077) 3.163 3.516 ( -1.084 2.969 -6.019) 6.799 3.626 ( -0.216 0.332 4.883) 4.899 3.678 ( -5.190 2.810 -2.474) 6.400 3.723 ( 1.036 1.732 4.676) 5.093 3.812 ( -7.642 -0.453 10.465) 12.966 4.089 ( 7.252 5.110 4.354) 9.882 4.199 ( -3.332 6.625 1.075) 7.493 4.314 ( 3.549 -2.749 -11.874) 12.695 4.324 ( 1.432 6.216 -6.430) 9.057 4.470 ( -0.737 4.096 -3.063) 5.167 4.527 ( -4.744 10.188 -0.596) 11.254 4.656 ( 1.891 3.806 0.756) 4.316 4.692 ( -1.631 3.439 -0.389) 3.826 4.937 ( 3.196 -1.832 3.645) 5.183 4.938 ( 3.018 1.878 1.939) 4.049 5.036 ( 2.258 11.172 2.550) 11.679 5.107 ( -3.861 16.226 1.834) 16.779 5.185 ( 3.884 12.499 -1.434) 13.167 5.281 ( -4.724 11.212 -0.901) 12.200 5.462 ( 1.681 18.795 2.261) 19.005 5.497 ( -1.950 19.089 0.786) 19.204 5.591 ( 0.945 16.945 -2.025) 17.092 5.602 ( -0.217 15.329 -2.276) 15.498 7.237 ( 3.305 4.704 0.625) 5.783 7.273 ( 3.817 3.725 -0.838) 5.399 7.326 ( -4.759 4.064 0.997) 6.337 7.383 ( -6.522 -0.254 -1.459) 6.688 7.768 ( 1.617 -8.321 1.255) 8.568 7.777 ( 0.734 -6.954 1.361) 7.124 8.071 ( 3.405 -7.846 0.607) 8.574 8.112 ( -0.923 -9.125 -0.605) 9.191 9.199 ( 3.729 6.115 1.268) 7.274 9.284 ( -4.478 6.355 -1.308) 7.884 9.437 ( 6.363 5.216 -0.890) 8.276 9.556 ( -4.799 7.264 -5.447) 10.270 9.854 ( 3.470 2.180 5.755) 7.065 9.934 ( -4.191 2.891 5.879) 7.777 10.215 ( 11.049 -5.630 -2.022) 12.565 10.219 ( 9.091 -1.745 -2.983) 9.726 10.343 ( 2.619 -5.631 2.084) 6.550 10.428 ( -2.744 2.428 -0.492) 3.697 10.651 ( 14.186 7.588 1.779) 16.186 10.832 ( 5.672 1.421 -6.517) 8.755 10.896 ( -5.943 11.784 0.623) 13.212 10.960 ( -9.190 3.827 -0.431) 9.964 11.130 ( 1.079 8.244 -1.761) 8.499 11.274 ( -14.007 -4.300 -5.744) 15.738 11.486 ( -5.839 0.732 6.201) 8.549 11.514 ( -8.293 1.176 6.739) 10.750 11.869 ( 0.446 6.689 -5.182) 8.473 11.906 ( -3.661 4.920 -5.275) 8.089 12.164 ( 6.504 0.168 2.503) 6.971 12.294 ( 1.405 2.024 -0.299) 2.482 12.332 ( -5.092 2.285 4.410) 7.113 12.411 ( -5.353 -0.201 4.694) 7.123 12.582 ( 3.904 2.127 4.242) 6.145 12.648 ( -3.382 2.675 2.059) 4.778 13.077 ( 11.791 -4.217 0.577) 12.536 13.131 ( 11.180 -1.488 -0.874) 11.313 13.294 ( -8.804 -5.552 0.424) 10.416 13.321 ( -8.368 -4.633 0.420) 9.574 13.600 ( 1.091 -14.908 -5.930) 16.082 13.618 ( -0.639 -15.212 -6.585) 16.588 15.594 ( 3.550 -6.693 -0.341) 7.584 15.655 ( -2.797 -7.001 -1.213) 7.636 15.815 ( 0.854 -8.499 -1.291) 8.639 15.856 ( -3.510 -8.935 -1.408) 9.703 16.182 ( 3.160 -6.789 3.762) 8.380 16.242 ( -2.986 -5.927 2.855) 7.224 16.394 ( 3.608 -8.401 -0.364) 9.150 16.428 ( 0.202 -8.449 -0.736) 8.484 ======================= Grid point 105 (43/72) ======================= q-point: ( 0.00 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.329 ( 0.000 4.399 -1.176) 4.554 2.381 ( 0.000 3.769 -2.574) 4.564 2.450 ( 0.000 1.659 0.964) 1.918 2.569 ( 0.000 0.062 -3.567) 3.567 2.581 ( 0.000 4.407 3.696) 5.751 2.671 ( 0.000 2.356 4.218) 4.831 2.743 ( 0.000 0.947 -2.482) 2.656 2.856 ( 0.000 0.932 -3.076) 3.214 3.204 ( 0.000 7.874 7.675) 10.996 3.275 ( 0.000 4.848 -0.638) 4.890 3.332 ( 0.000 4.439 4.803) 6.540 3.403 ( 0.000 2.248 -1.506) 2.705 3.502 ( 0.000 1.242 3.008) 3.254 3.601 ( 0.000 5.749 -0.801) 5.805 3.707 ( 0.000 -1.738 -0.697) 1.873 3.713 ( 0.000 -1.838 -5.992) 6.268 3.732 ( 0.000 0.128 2.265) 2.269 3.854 ( 0.000 1.596 -2.164) 2.689 4.060 ( 0.000 -3.379 -5.791) 6.705 4.128 ( 0.000 -5.821 5.772) 8.198 4.164 ( 0.000 -2.887 -7.612) 8.141 4.254 ( 0.000 -9.866 2.230) 10.115 4.465 ( 0.000 -9.213 2.421) 9.525 4.534 ( 0.000 -6.573 -2.837) 7.159 4.672 ( 0.000 8.283 0.789) 8.320 4.748 ( 0.000 4.014 -0.786) 4.090 5.018 ( 0.000 7.472 2.341) 7.830 5.024 ( 0.000 7.129 1.227) 7.234 5.336 ( 0.000 16.207 0.612) 16.219 5.390 ( 0.000 12.885 -2.294) 13.088 5.517 ( 0.000 13.434 3.116) 13.791 5.647 ( 0.000 10.855 -1.827) 11.007 5.716 ( 0.000 12.286 2.651) 12.569 5.780 ( 0.000 9.035 -1.028) 9.093 5.869 ( 0.000 12.896 -0.687) 12.914 5.878 ( 0.000 12.450 -0.436) 12.458 7.266 ( 0.000 0.415 -0.460) 0.620 7.325 ( 0.000 -8.904 -5.094) 10.258 7.402 ( 0.000 6.983 -0.046) 6.984 7.467 ( 0.000 -6.877 -2.986) 7.497 7.637 ( 0.000 -0.471 3.913) 3.941 7.639 ( 0.000 1.464 0.800) 1.668 7.777 ( 0.000 -5.862 3.925) 7.055 7.919 ( 0.000 -7.979 -0.241) 7.982 9.282 ( 0.000 8.121 3.379) 8.796 9.393 ( 0.000 6.033 0.072) 6.033 9.589 ( 0.000 7.548 -2.996) 8.120 9.599 ( 0.000 -0.897 -0.560) 1.057 9.798 ( 0.000 -6.733 -0.729) 6.772 9.871 ( 0.000 2.731 -7.350) 7.841 10.035 ( 0.000 6.949 1.146) 7.042 10.176 ( 0.000 8.290 -3.006) 8.818 10.225 ( 0.000 7.368 3.325) 8.084 10.245 ( 0.000 6.394 5.006) 8.120 10.688 ( 0.000 8.369 1.693) 8.538 10.730 ( 0.000 -3.309 -5.930) 6.791 11.173 ( 0.000 -4.647 7.931) 9.192 11.311 ( 0.000 11.103 0.378) 11.110 11.406 ( 0.000 13.593 -3.480) 14.032 11.477 ( 0.000 -20.891 -5.514) 21.606 11.605 ( 0.000 -2.290 12.613) 12.820 11.880 ( 0.000 -1.062 1.002) 1.460 11.952 ( 0.000 5.277 -2.043) 5.659 12.027 ( 0.000 0.933 -0.567) 1.092 12.149 ( 0.000 -0.405 8.830) 8.839 12.253 ( 0.000 -3.507 5.423) 6.458 12.287 ( 0.000 -4.433 3.398) 5.586 12.373 ( 0.000 -5.953 -1.401) 6.116 12.674 ( 0.000 4.854 -6.051) 7.757 12.704 ( 0.000 5.032 -9.127) 10.422 12.847 ( 0.000 5.664 2.935) 6.379 12.913 ( 0.000 4.553 -1.302) 4.735 13.292 ( 0.000 -9.459 -4.095) 10.307 13.329 ( 0.000 -11.460 -5.059) 12.527 13.355 ( 0.000 -7.569 2.789) 8.067 13.424 ( 0.000 -6.265 -2.120) 6.614 15.417 ( 0.000 -0.882 1.239) 1.521 15.649 ( 0.000 -4.125 -6.598) 7.781 15.707 ( 0.000 -5.634 5.718) 8.027 15.803 ( 0.000 -11.883 1.161) 11.939 15.956 ( 0.000 -3.535 -1.688) 3.917 16.029 ( 0.000 -7.002 -4.972) 8.588 16.240 ( 0.000 -3.845 3.664) 5.311 16.245 ( 0.000 -4.413 3.190) 5.445 ======================= Grid point 106 (44/72) ======================= q-point: ( 0.20 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.355 ( 2.348 3.998 -1.588) 4.901 2.390 ( 0.761 3.843 -2.187) 4.486 2.448 ( -0.270 2.169 0.461) 2.234 2.551 ( -0.665 1.919 -2.519) 3.236 2.578 ( -0.695 2.646 2.448) 3.671 2.647 ( -1.789 1.736 4.095) 4.794 2.712 ( -2.320 -0.047 -1.775) 2.921 2.860 ( -1.703 -1.560 -3.173) 3.924 3.170 ( -1.019 5.369 6.762) 8.694 3.284 ( -2.032 5.502 -0.553) 5.892 3.342 ( 2.648 6.082 3.989) 7.741 3.452 ( 1.169 6.351 -3.023) 7.130 3.465 ( 1.201 5.520 0.707) 5.693 3.554 ( -2.420 -2.942 3.268) 5.019 3.677 ( -1.131 4.329 -2.632) 5.191 3.729 ( 0.593 -0.564 0.031) 0.819 3.781 ( 0.731 0.481 -2.304) 2.465 3.896 ( -2.492 -2.516 4.360) 5.617 3.990 ( -0.215 -3.039 2.735) 4.094 4.111 ( 2.797 -4.506 -6.815) 8.636 4.192 ( 3.131 -3.047 -5.216) 6.804 4.303 ( -0.684 -8.498 -3.461) 9.201 4.510 ( 0.077 -7.649 0.949) 7.708 4.539 ( 4.924 -6.794 0.869) 8.435 4.704 ( 3.078 6.311 0.238) 7.026 4.746 ( -0.574 3.928 -1.973) 4.433 4.969 ( -4.369 6.943 3.588) 8.953 4.985 ( -3.310 6.082 3.054) 7.568 5.336 ( 0.285 15.639 0.461) 15.648 5.398 ( 0.836 12.431 -2.686) 12.745 5.494 ( -2.298 12.782 2.745) 13.274 5.596 ( -4.075 9.721 -0.377) 10.547 5.747 ( 2.711 13.224 1.820) 13.621 5.822 ( 2.773 11.005 -1.217) 11.414 5.873 ( -0.315 12.577 -0.449) 12.589 5.879 ( 0.918 12.815 -1.005) 12.887 7.271 ( 0.545 0.820 -0.467) 1.090 7.336 ( 0.922 -6.237 -4.883) 7.974 7.391 ( -1.547 3.021 -0.572) 3.441 7.423 ( -2.436 -0.058 -0.805) 2.566 7.639 ( 0.518 -0.106 3.203) 3.246 7.664 ( 1.260 -2.111 2.664) 3.625 7.829 ( 4.301 -6.841 0.976) 8.140 7.929 ( 0.856 -8.270 -0.301) 8.320 9.299 ( 1.863 8.713 3.248) 9.484 9.437 ( 4.605 6.071 0.419) 7.631 9.535 ( -4.241 9.074 -1.839) 10.183 9.674 ( 6.537 0.344 -2.649) 7.062 9.855 ( 5.356 -8.130 -0.440) 9.745 9.873 ( -0.617 3.504 -5.662) 6.687 10.066 ( 3.430 5.693 0.202) 6.649 10.133 ( -2.226 7.584 0.371) 7.912 10.246 ( 2.248 4.244 6.571) 8.139 10.405 ( 11.828 3.677 0.161) 12.388 10.659 ( -3.739 4.892 0.392) 6.170 10.723 ( -0.289 -5.762 -5.529) 7.991 11.074 ( -6.785 -0.978 5.032) 8.504 11.274 ( -6.137 5.583 0.060) 8.296 11.388 ( -1.111 1.861 -4.553) 5.042 11.394 ( -5.924 3.967 -1.095) 7.213 11.590 ( -1.889 -1.469 9.333) 9.635 11.752 ( -10.461 0.951 5.895) 12.045 11.967 ( 1.221 2.809 -2.864) 4.193 12.003 ( -3.433 0.634 -4.979) 6.081 12.115 ( -0.913 -0.587 2.396) 2.631 12.294 ( 1.721 -1.414 4.674) 5.177 12.335 ( 3.257 -4.507 6.817) 8.798 12.393 ( -0.009 -6.686 4.173) 7.882 12.545 ( -1.963 6.188 -8.551) 10.736 12.768 ( -2.167 3.792 -2.068) 4.832 12.929 ( 5.542 2.963 -0.995) 6.363 12.963 ( 7.481 4.464 0.296) 8.717 13.280 ( -1.489 -10.000 -3.570) 10.722 13.309 ( -3.812 -7.593 1.585) 8.643 13.327 ( -0.527 -10.282 -4.492) 11.233 13.406 ( -1.849 -6.554 -3.000) 7.441 15.440 ( 2.208 -1.804 0.314) 2.868 15.601 ( -3.838 -4.537 -2.947) 6.633 15.671 ( -1.766 -6.687 0.462) 6.931 15.764 ( -4.715 -9.789 -0.484) 10.876 15.989 ( 5.067 -3.386 0.625) 6.126 16.124 ( 5.614 -7.055 -3.306) 9.603 16.217 ( -0.993 -3.320 4.498) 5.678 16.270 ( 1.310 -5.045 1.983) 5.577 ======================= Grid point 107 (45/72) ======================= q-point: ( 0.40 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.395 ( 0.829 4.396 -1.833) 4.834 2.401 ( 0.151 3.255 -1.966) 3.805 2.456 ( 2.241 3.195 -0.508) 3.936 2.519 ( -3.045 2.169 -2.232) 4.354 2.598 ( 2.294 0.694 2.117) 3.198 2.622 ( -0.834 0.607 2.703) 2.893 2.684 ( 1.010 -0.684 0.404) 1.285 2.772 ( -6.191 -2.450 -1.373) 6.798 3.175 ( 1.162 4.356 2.934) 5.379 3.215 ( -3.142 4.656 0.124) 5.619 3.437 ( 4.766 9.347 -0.946) 10.534 3.479 ( 0.054 1.269 0.912) 1.563 3.504 ( 3.854 11.325 -0.886) 11.996 3.542 ( 0.827 -1.569 2.207) 2.831 3.630 ( -2.665 2.876 2.544) 4.674 3.700 ( -7.606 -1.526 2.076) 8.031 3.766 ( 1.964 1.594 0.601) 2.600 3.801 ( -2.261 1.487 3.237) 4.220 4.103 ( 6.467 -2.173 1.486) 6.983 4.162 ( 1.014 -4.565 -6.985) 8.405 4.248 ( 0.869 -5.931 -4.088) 7.256 4.264 ( -2.036 -6.637 -5.983) 9.164 4.505 ( 2.825 -4.023 -2.768) 5.642 4.601 ( -3.418 -8.493 -3.778) 9.904 4.751 ( 3.101 6.990 1.159) 7.734 4.770 ( 2.546 6.470 1.460) 7.105 4.895 ( -2.361 2.044 5.136) 6.011 4.912 ( -3.459 2.669 4.479) 6.257 5.360 ( 2.312 14.380 0.840) 14.589 5.412 ( -1.358 12.604 0.003) 12.677 5.451 ( 0.390 11.568 0.053) 11.575 5.512 ( -4.248 9.865 -0.172) 10.743 5.801 ( 2.535 14.211 1.122) 14.479 5.838 ( -1.086 14.120 0.289) 14.165 5.885 ( 1.292 11.686 -1.561) 11.861 5.895 ( 0.367 12.406 -1.491) 12.501 7.289 ( 1.309 1.297 -0.534) 1.919 7.325 ( -2.194 0.312 -1.736) 2.815 7.377 ( 1.006 -1.052 -1.742) 2.271 7.398 ( -0.945 3.690 -1.125) 3.972 7.656 ( 1.078 -1.933 3.626) 4.248 7.673 ( -0.364 -3.233 3.165) 4.539 7.906 ( 2.954 -8.055 -0.987) 8.636 7.938 ( -0.352 -8.443 -0.805) 8.489 9.356 ( 3.891 9.434 2.088) 10.416 9.443 ( -4.735 9.528 0.485) 10.650 9.567 ( 7.912 7.171 -2.206) 10.904 9.714 ( -5.478 7.847 -7.075) 11.901 9.914 ( 7.328 2.092 4.688) 8.948 9.990 ( 3.879 -2.408 3.685) 5.867 10.103 ( 1.318 1.175 2.081) 2.729 10.185 ( 6.657 -4.210 0.176) 7.878 10.233 ( -1.700 -1.979 0.593) 2.676 10.463 ( -12.835 -1.606 -4.272) 13.622 10.664 ( 8.774 -4.452 -0.869) 9.877 10.734 ( 0.682 -7.925 -3.705) 8.775 11.021 ( 3.349 5.829 4.108) 7.879 11.165 ( -5.902 -0.957 0.780) 6.030 11.254 ( -3.343 16.680 -1.836) 17.111 11.342 ( -6.035 8.644 -3.667) 11.162 11.543 ( -1.754 3.450 6.238) 7.341 11.573 ( -5.212 3.123 7.651) 9.770 11.949 ( -1.196 1.613 -7.663) 7.922 11.960 ( -1.704 1.319 -6.840) 7.171 12.150 ( 5.177 -1.189 4.654) 7.062 12.279 ( -6.487 -2.496 2.552) 7.405 12.355 ( 1.928 -0.659 4.815) 5.228 12.380 ( 0.063 -2.524 4.874) 5.489 12.606 ( 5.044 2.590 -0.754) 5.720 12.698 ( -4.262 3.117 -0.055) 5.280 13.038 ( 6.715 -0.998 1.210) 6.896 13.129 ( 6.520 0.077 0.870) 6.578 13.187 ( -6.023 -6.457 0.701) 8.858 13.246 ( -3.577 -3.731 -0.662) 5.211 13.329 ( 0.769 -11.648 -6.527) 13.374 13.360 ( -2.337 -8.917 -5.666) 10.820 15.491 ( 2.669 -3.395 -1.262) 4.499 15.539 ( -2.451 -4.407 -1.872) 5.379 15.648 ( -0.222 -7.644 -1.275) 7.752 15.678 ( -3.302 -8.473 -1.435) 9.206 16.090 ( 4.446 -2.640 2.954) 5.955 16.155 ( -2.108 -2.901 2.551) 4.401 16.246 ( 3.187 -6.454 0.235) 7.202 16.283 ( -0.421 -6.177 0.377) 6.203 ======================= Grid point 110 (46/72) ======================= q-point: ( 0.00 0.47 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.387 ( 0.000 1.674 -1.222) 2.072 2.405 ( 0.000 -0.216 -1.558) 1.573 2.497 ( 0.000 2.456 0.297) 2.474 2.541 ( 0.000 -2.039 -0.689) 2.152 2.660 ( 0.000 3.314 2.075) 3.910 2.704 ( 0.000 -0.598 0.351) 0.694 2.774 ( 0.000 3.083 0.460) 3.117 2.838 ( 0.000 -2.528 -1.571) 2.977 3.322 ( 0.000 1.558 1.509) 2.169 3.327 ( 0.000 2.613 4.436) 5.149 3.423 ( 0.000 1.545 2.832) 3.226 3.430 ( 0.000 2.552 3.731) 4.520 3.566 ( 0.000 4.280 2.636) 5.027 3.624 ( 0.000 -2.304 -4.491) 5.048 3.677 ( 0.000 -0.109 -2.816) 2.818 3.712 ( 0.000 -1.456 -0.940) 1.733 3.791 ( 0.000 6.360 -3.581) 7.299 3.865 ( 0.000 -1.084 -5.689) 5.791 4.000 ( 0.000 -4.052 3.993) 5.689 4.049 ( 0.000 -3.687 1.151) 3.862 4.066 ( 0.000 -1.091 0.123) 1.098 4.141 ( 0.000 -1.663 -4.297) 4.608 4.313 ( 0.000 -3.323 1.523) 3.655 4.380 ( 0.000 -7.409 -2.272) 7.749 4.790 ( 0.000 3.281 0.576) 3.331 4.807 ( 0.000 1.350 -0.017) 1.350 5.124 ( 0.000 2.874 1.631) 3.305 5.126 ( 0.000 2.714 1.359) 3.036 5.559 ( 0.000 5.743 -0.822) 5.802 5.568 ( 0.000 4.574 -0.991) 4.680 5.720 ( 0.000 6.698 1.851) 6.949 5.773 ( 0.000 1.690 -0.600) 1.793 5.888 ( 0.000 4.765 2.217) 5.256 5.904 ( 0.000 3.019 1.040) 3.193 6.049 ( 0.000 4.795 -0.794) 4.860 6.052 ( 0.000 4.549 -0.732) 4.607 7.162 ( 0.000 -4.129 -7.227) 8.323 7.175 ( 0.000 -4.930 -6.909) 8.487 7.475 ( 0.000 4.382 4.501) 6.282 7.564 ( 0.000 -0.798 3.999) 4.078 7.607 ( 0.000 4.999 3.139) 5.903 7.670 ( 0.000 1.306 0.349) 1.351 7.703 ( 0.000 -1.651 -0.263) 1.672 7.769 ( 0.000 -7.499 -0.206) 7.501 9.437 ( 0.000 6.528 1.038) 6.610 9.471 ( 0.000 2.201 -1.073) 2.449 9.576 ( 0.000 -0.403 2.017) 2.057 9.652 ( 0.000 -7.114 2.472) 7.531 9.763 ( 0.000 8.396 -3.660) 9.159 9.881 ( 0.000 -2.632 -5.961) 6.516 10.225 ( 0.000 9.517 -1.124) 9.584 10.279 ( 0.000 2.404 -2.843) 3.723 10.336 ( 0.000 4.495 2.218) 5.012 10.419 ( 0.000 4.840 -1.648) 5.113 10.614 ( 0.000 -2.087 4.591) 5.044 10.753 ( 0.000 -5.281 0.068) 5.281 11.135 ( 0.000 -0.427 5.103) 5.121 11.161 ( 0.000 -6.887 3.664) 7.801 11.453 ( 0.000 3.272 3.042) 4.467 11.495 ( 0.000 -2.097 5.466) 5.854 11.712 ( 0.000 10.076 -2.346) 10.345 11.842 ( 0.000 -3.004 -5.012) 5.843 12.017 ( 0.000 0.712 0.237) 0.750 12.023 ( 0.000 -0.738 1.108) 1.331 12.149 ( 0.000 0.590 9.234) 9.253 12.184 ( 0.000 -3.199 9.254) 9.792 12.227 ( 0.000 -0.204 0.241) 0.315 12.271 ( 0.000 -4.060 -1.071) 4.199 12.781 ( 0.000 5.494 -10.531) 11.878 12.806 ( 0.000 4.243 -15.965) 16.519 12.962 ( 0.000 5.504 0.790) 5.560 12.973 ( 0.000 1.307 0.056) 1.309 13.092 ( 0.000 -8.739 -4.263) 9.724 13.120 ( 0.000 -8.775 -2.325) 9.078 13.276 ( 0.000 -0.052 5.253) 5.254 13.328 ( 0.000 -4.096 2.379) 4.737 15.455 ( 0.000 4.595 0.237) 4.601 15.590 ( 0.000 -6.305 0.584) 6.332 15.598 ( 0.000 -3.689 -2.810) 4.638 15.616 ( 0.000 -3.072 2.477) 3.946 15.911 ( 0.000 -0.786 -3.291) 3.383 15.931 ( 0.000 -2.903 -4.754) 5.570 16.186 ( 0.000 -1.470 4.268) 4.514 16.186 ( 0.000 -1.441 4.321) 4.555 ======================= Grid point 111 (47/72) ======================= q-point: ( 0.20 0.47 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.406 ( 1.814 1.508 -1.306) 2.697 2.421 ( 1.617 -0.004 -1.590) 2.268 2.495 ( -0.216 2.444 0.013) 2.453 2.540 ( -0.171 -1.955 -1.055) 2.228 2.634 ( -1.928 2.755 1.842) 3.834 2.677 ( -2.217 -1.055 0.500) 2.506 2.732 ( -3.573 3.553 -0.006) 5.039 2.808 ( -3.383 -3.474 -1.904) 5.210 3.274 ( -1.625 4.828 4.969) 7.117 3.338 ( -0.594 -0.514 3.049) 3.149 3.461 ( 3.441 2.698 4.113) 6.004 3.494 ( 0.694 -1.299 3.562) 3.854 3.509 ( -1.004 5.343 1.001) 5.528 3.612 ( 0.751 -0.149 -0.931) 1.205 3.703 ( 1.918 2.305 -0.152) 3.002 3.756 ( 1.575 -0.625 -1.417) 2.209 3.820 ( 1.254 4.849 -4.025) 6.425 3.851 ( -3.174 -0.089 -2.141) 3.829 3.905 ( 0.233 -3.082 -5.157) 6.012 4.046 ( 0.001 -10.164 -3.115) 10.630 4.137 ( 4.088 5.026 0.575) 6.504 4.225 ( 3.056 1.146 -2.709) 4.242 4.320 ( 1.597 -7.832 1.952) 8.228 4.379 ( 0.168 -8.267 -1.111) 8.343 4.805 ( 1.710 2.894 0.421) 3.388 4.814 ( 0.899 1.821 -0.183) 2.040 5.073 ( -4.849 2.930 2.565) 6.219 5.077 ( -4.486 2.517 2.497) 5.717 5.554 ( -0.283 5.812 -1.110) 5.924 5.568 ( 0.094 4.203 -1.492) 4.461 5.680 ( -3.226 5.702 2.052) 6.866 5.716 ( -4.101 2.135 0.530) 4.654 5.936 ( 3.812 5.575 1.341) 6.886 5.963 ( 4.136 2.976 0.244) 5.101 6.052 ( -0.021 4.852 -0.595) 4.888 6.056 ( 0.525 4.531 -0.852) 4.640 7.205 ( 4.083 -3.605 -6.361) 8.374 7.208 ( 3.223 -3.568 -5.741) 7.488 7.449 ( -2.420 4.652 3.645) 6.386 7.528 ( -3.605 -0.038 1.678) 3.977 7.624 ( 1.620 3.661 4.098) 5.729 7.682 ( 0.693 2.257 0.707) 2.465 7.732 ( 2.377 -3.234 -0.549) 4.051 7.768 ( 0.175 -7.965 0.048) 7.967 9.480 ( 3.680 9.045 2.337) 10.041 9.537 ( 6.530 4.072 -0.037) 7.696 9.631 ( 5.744 -2.935 -0.101) 6.451 9.681 ( 3.051 -8.463 1.440) 9.110 9.742 ( -1.221 9.392 -2.433) 9.778 9.887 ( -0.186 -3.633 -6.390) 7.353 10.247 ( 1.895 10.628 -0.578) 10.811 10.283 ( 0.172 7.087 0.136) 7.090 10.362 ( -3.956 4.795 2.954) 6.883 10.421 ( 4.167 -0.424 -0.406) 4.208 10.547 ( -4.038 -8.561 0.600) 9.485 10.627 ( -11.977 -8.463 -1.280) 14.721 11.115 ( 1.122 5.432 5.674) 7.934 11.220 ( 2.817 -3.766 1.807) 5.038 11.429 ( -2.615 2.110 5.969) 6.850 11.483 ( -1.540 -1.735 4.773) 5.307 11.693 ( -1.494 9.077 -3.098) 9.707 11.772 ( -5.388 1.087 -3.125) 6.323 11.954 ( -4.181 -1.502 0.952) 4.544 11.995 ( -3.293 -3.967 -4.177) 6.636 12.143 ( 0.548 4.269 4.443) 6.186 12.242 ( 3.432 -4.652 5.939) 8.288 12.269 ( 2.846 -0.722 5.239) 6.006 12.291 ( 1.684 -2.748 2.532) 4.099 12.709 ( -2.241 9.370 -11.200) 14.773 12.830 ( -1.060 0.387 -9.734) 9.799 12.970 ( -0.508 1.632 -1.295) 2.144 13.034 ( 4.783 1.805 1.328) 5.282 13.071 ( -2.551 -7.923 -4.963) 9.691 13.115 ( 1.635 -7.553 -2.457) 8.109 13.260 ( -1.590 0.364 4.459) 4.748 13.312 ( -1.649 -3.890 2.069) 4.704 15.453 ( 0.043 2.962 -0.754) 3.056 15.531 ( -3.547 -3.339 -1.217) 5.021 15.569 ( -2.036 -2.637 -1.148) 3.524 15.599 ( -2.834 -5.665 -0.252) 6.340 15.963 ( 5.346 0.585 -1.385) 5.553 16.011 ( 5.785 -4.170 -2.672) 7.615 16.177 ( -0.562 -0.553 4.309) 4.380 16.196 ( 0.277 -2.393 3.431) 4.192 ======================= Grid point 112 (48/72) ======================= q-point: ( 0.40 0.47 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.446 ( 1.950 1.836 -1.465) 3.053 2.462 ( 1.808 1.359 -1.994) 3.016 2.487 ( -0.126 1.123 -0.713) 1.336 2.524 ( -1.947 -1.546 -2.028) 3.208 2.619 ( 0.896 1.624 1.393) 2.320 2.652 ( -0.000 -0.112 0.863) 0.871 2.662 ( -2.364 1.116 0.114) 2.617 2.718 ( -4.898 -2.915 -1.233) 5.832 3.277 ( 1.707 5.632 5.095) 7.784 3.321 ( -1.656 5.099 4.091) 6.744 3.417 ( -0.807 -4.607 6.511) 8.017 3.469 ( -4.241 -5.439 4.988) 8.511 3.599 ( 6.689 6.240 0.785) 9.182 3.670 ( 2.643 1.855 -1.919) 3.757 3.724 ( -1.897 1.384 0.321) 2.370 3.750 ( -1.099 4.344 -0.692) 4.534 3.799 ( 1.023 7.535 -3.073) 8.202 3.826 ( -0.904 3.776 -2.000) 4.367 3.983 ( 4.247 -8.703 -6.733) 11.794 4.040 ( -1.240 -11.554 -6.440) 13.286 4.200 ( 2.100 5.753 -0.357) 6.135 4.228 ( -1.194 3.908 -0.574) 4.127 4.353 ( 2.032 -8.933 -1.982) 9.374 4.391 ( -0.510 -10.564 -1.732) 10.717 4.857 ( 3.760 3.026 1.325) 5.005 4.864 ( 4.237 2.365 1.458) 5.067 4.962 ( -5.804 2.661 3.402) 7.235 4.971 ( -5.710 1.760 3.108) 6.735 5.563 ( 1.423 5.709 -0.334) 5.893 5.581 ( 1.403 3.910 -0.898) 4.250 5.615 ( -2.916 4.853 1.053) 5.759 5.639 ( -3.536 2.618 0.370) 4.415 6.006 ( 2.841 5.979 0.507) 6.639 6.030 ( 2.069 4.013 -0.271) 4.523 6.046 ( -0.512 4.878 -0.299) 4.914 6.060 ( -0.331 3.874 -0.778) 3.965 7.289 ( 4.670 -0.147 -2.789) 5.441 7.308 ( 5.851 -1.915 -4.151) 7.425 7.384 ( -3.936 2.651 0.999) 4.849 7.432 ( -5.786 -1.074 -1.076) 5.982 7.661 ( 1.801 3.346 3.297) 5.031 7.685 ( -0.495 3.043 1.626) 3.486 7.769 ( 1.158 -5.535 -0.226) 5.659 7.777 ( 0.343 -7.384 0.125) 7.393 9.560 ( 4.395 10.602 1.819) 11.620 9.641 ( -2.558 9.154 0.470) 9.517 9.693 ( 5.614 3.571 -2.989) 7.294 9.769 ( 1.705 -5.892 -1.973) 6.443 9.862 ( 10.535 -1.948 -0.192) 10.715 9.909 ( 9.863 -4.562 -0.187) 10.869 10.131 ( -14.633 1.998 5.313) 15.695 10.201 ( -11.988 1.633 3.021) 12.470 10.315 ( 2.594 8.944 -0.971) 9.363 10.388 ( -6.883 -0.155 -4.318) 8.127 10.523 ( 3.803 -9.587 -1.386) 10.407 10.542 ( 1.252 -10.693 -1.573) 10.881 11.172 ( 4.037 9.464 4.963) 11.424 11.240 ( -1.590 6.873 2.012) 7.336 11.384 ( -0.321 -4.898 6.030) 7.775 11.427 ( -3.650 -4.144 4.059) 6.853 11.665 ( -0.516 11.758 -1.805) 11.907 11.692 ( -2.748 10.251 -2.783) 10.972 11.892 ( -1.012 -6.822 -2.997) 7.520 11.922 ( -3.402 -7.421 -5.940) 10.096 12.187 ( 3.718 5.452 4.293) 7.873 12.264 ( -3.096 2.085 4.523) 5.864 12.301 ( 2.407 -5.000 4.432) 7.102 12.323 ( 0.632 -2.789 4.400) 5.247 12.723 ( 3.138 8.749 -6.195) 11.171 12.791 ( -2.927 6.068 -4.421) 8.058 12.944 ( -0.324 -8.961 -4.293) 9.942 12.984 ( -3.956 -10.338 -3.969) 11.759 13.148 ( 4.588 1.121 0.214) 4.727 13.180 ( 4.224 -2.775 -0.292) 5.063 13.218 ( -2.640 0.649 2.345) 3.590 13.262 ( -3.470 -3.129 1.160) 4.814 15.464 ( 1.117 0.699 -1.950) 2.353 15.486 ( -1.164 -0.907 -2.017) 2.499 15.529 ( -1.441 -3.894 -1.684) 4.480 15.539 ( -2.466 -4.885 -1.644) 5.714 16.072 ( 4.959 0.815 1.477) 5.238 16.113 ( 3.471 -2.381 0.234) 4.215 16.156 ( -1.287 -1.388 2.918) 3.479 16.185 ( -1.637 -3.491 1.874) 4.287 ======================= Grid point 150 (49/72) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.089 ( 0.000 0.000 -21.275) 21.275 1.089 ( 0.000 0.000 21.275) 21.275 1.178 ( 0.000 0.000 -25.899) 25.899 1.178 ( 0.000 0.000 25.899) 25.899 1.939 ( 0.000 0.000 -32.023) 32.023 1.939 ( 0.000 0.000 32.023) 32.023 2.021 ( 0.000 0.000 -4.237) 4.237 2.021 ( 0.000 0.000 4.237) 4.237 2.322 ( 0.000 0.000 -3.282) 3.282 2.322 ( 0.000 0.000 3.282) 3.282 2.415 ( 0.000 0.000 -0.485) 0.485 2.415 ( 0.000 0.000 0.485) 0.485 2.436 ( 0.000 0.000 -1.342) 1.342 2.436 ( 0.000 0.000 1.342) 1.342 2.576 ( 0.000 0.000 -3.902) 3.902 2.576 ( 0.000 0.000 3.902) 3.902 2.586 ( 0.000 0.000 -4.798) 4.798 2.586 ( 0.000 0.000 4.798) 4.798 2.820 ( 0.000 0.000 -8.028) 8.028 2.820 ( 0.000 0.000 8.028) 8.028 2.930 ( 0.000 0.000 -3.330) 3.330 2.930 ( 0.000 0.000 3.330) 3.330 3.603 ( 0.000 0.000 -20.909) 20.909 3.603 ( 0.000 0.000 20.909) 20.909 4.091 ( 0.000 0.000 -15.237) 15.237 4.091 ( 0.000 0.000 15.237) 15.237 4.446 ( 0.000 0.000 -15.436) 15.436 4.446 ( 0.000 0.000 15.436) 15.436 4.768 ( 0.000 0.000 -1.009) 1.009 4.768 ( 0.000 0.000 1.009) 1.009 5.098 ( 0.000 0.000 -6.878) 6.878 5.098 ( 0.000 0.000 6.878) 6.878 5.433 ( 0.000 0.000 -4.869) 4.869 5.433 ( 0.000 0.000 4.869) 4.869 5.656 ( 0.000 0.000 -1.887) 1.887 5.656 ( 0.000 0.000 1.887) 1.887 7.003 ( 0.000 0.000 -1.663) 1.663 7.003 ( 0.000 0.000 1.663) 1.663 7.802 ( 0.000 0.000 -0.496) 0.496 7.802 ( 0.000 0.000 0.496) 0.496 7.936 ( 0.000 0.000 -12.902) 12.902 7.936 ( 0.000 0.000 12.902) 12.902 8.135 ( 0.000 0.000 -11.059) 11.059 8.135 ( 0.000 0.000 11.059) 11.059 8.682 ( 0.000 0.000 -11.840) 11.840 8.682 ( 0.000 0.000 11.840) 11.840 8.934 ( 0.000 0.000 -4.205) 4.205 8.934 ( 0.000 0.000 4.205) 4.205 9.144 ( 0.000 0.000 -4.599) 4.599 9.144 ( 0.000 0.000 4.599) 4.599 9.923 ( 0.000 0.000 -11.151) 11.151 9.923 ( 0.000 0.000 11.151) 11.151 10.079 ( 0.000 0.000 -1.930) 1.930 10.079 ( 0.000 0.000 1.930) 1.930 10.249 ( 0.000 0.000 -8.258) 8.258 10.249 ( 0.000 0.000 8.258) 8.258 10.748 ( 0.000 0.000 -0.865) 0.865 10.748 ( 0.000 0.000 0.865) 0.865 10.764 ( 0.000 0.000 -15.361) 15.361 10.764 ( 0.000 0.000 15.361) 15.361 11.351 ( 0.000 0.000 -0.838) 0.838 11.351 ( 0.000 0.000 0.838) 0.838 11.670 ( 0.000 0.000 -11.897) 11.897 11.670 ( 0.000 0.000 11.897) 11.897 11.865 ( 0.000 0.000 -0.238) 0.238 11.865 ( 0.000 0.000 0.238) 0.238 12.084 ( 0.000 0.000 -1.309) 1.309 12.084 ( 0.000 0.000 1.309) 1.309 12.733 ( 0.000 0.000 -0.764) 0.764 12.733 ( 0.000 0.000 0.764) 0.764 13.314 ( 0.000 0.000 -2.791) 2.791 13.314 ( 0.000 0.000 2.791) 2.791 14.110 ( 0.000 0.000 -3.902) 3.902 14.110 ( 0.000 0.000 3.902) 3.902 14.825 ( 0.000 0.000 -4.884) 4.884 14.825 ( 0.000 0.000 4.884) 4.884 16.292 ( 0.000 0.000 -1.609) 1.609 16.292 ( 0.000 0.000 1.609) 1.609 16.397 ( 0.000 0.000 -0.602) 0.602 16.397 ( 0.000 0.000 0.602) 0.602 17.072 ( 0.000 0.000 -3.007) 3.007 17.072 ( 0.000 0.000 3.007) 3.007 17.378 ( 0.000 0.000 -2.868) 2.868 17.378 ( 0.000 0.000 2.868) 2.868 ======================= Grid point 152 (50/72) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.190 ( 9.645 0.000 -18.520) 20.881 1.190 ( 9.645 0.000 18.520) 20.881 1.264 ( 8.481 0.000 -22.649) 24.185 1.264 ( 8.481 0.000 22.649) 24.185 1.932 ( -8.589 0.000 -5.344) 10.115 1.932 ( -8.589 0.000 5.344) 10.115 2.084 ( 1.481 0.000 -9.772) 9.884 2.084 ( 1.481 0.000 9.772) 9.884 2.228 ( 0.576 0.000 -27.992) 27.998 2.228 ( 0.576 0.000 27.992) 27.998 2.316 ( -0.332 0.000 -2.521) 2.543 2.316 ( -0.332 0.000 2.521) 2.543 2.410 ( -0.389 0.000 -1.001) 1.074 2.410 ( -0.389 0.000 1.001) 1.074 2.624 ( 3.879 0.000 -3.380) 5.145 2.624 ( 3.879 0.000 3.380) 5.145 2.821 ( 13.667 0.000 -1.857) 13.793 2.821 ( 13.667 0.000 1.857) 13.793 2.916 ( 9.316 0.000 -8.869) 12.862 2.916 ( 9.316 0.000 8.869) 12.862 2.917 ( -1.156 0.000 -3.021) 3.235 2.917 ( -1.156 0.000 3.021) 3.235 3.538 ( -6.095 0.000 -17.916) 18.924 3.538 ( -6.095 0.000 17.916) 18.924 3.991 ( -10.555 0.000 -16.018) 19.183 3.991 ( -10.555 0.000 16.018) 19.183 4.140 ( -22.799 0.000 -15.363) 27.492 4.140 ( -22.799 0.000 15.363) 27.492 4.839 ( 3.795 0.000 -8.777) 9.562 4.839 ( 3.795 0.000 8.777) 9.562 5.184 ( 3.829 0.000 -4.835) 6.168 5.184 ( 3.829 0.000 4.835) 6.168 5.414 ( 0.356 0.000 -4.478) 4.492 5.414 ( 0.356 0.000 4.478) 4.492 5.730 ( 5.856 0.000 -1.939) 6.168 5.730 ( 5.856 0.000 1.939) 6.168 6.909 ( -5.520 0.000 -3.733) 6.664 6.909 ( -5.520 0.000 3.733) 6.664 7.580 ( -12.408 0.000 -10.845) 16.479 7.580 ( -12.408 0.000 10.845) 16.479 8.163 ( 2.849 0.000 -10.778) 11.148 8.163 ( 2.849 0.000 10.778) 11.148 8.230 ( 16.947 0.000 -4.410) 17.511 8.230 ( 16.947 0.000 4.410) 17.511 8.576 ( -8.550 0.000 -10.301) 13.387 8.576 ( -8.550 0.000 10.301) 13.387 8.925 ( -1.888 0.000 -1.947) 2.712 8.925 ( -1.888 0.000 1.947) 2.712 9.248 ( 8.260 0.000 -2.819) 8.728 9.248 ( 8.260 0.000 2.819) 8.728 10.004 ( 6.432 0.000 -9.192) 11.219 10.004 ( 6.432 0.000 9.192) 11.219 10.057 ( -2.154 0.000 -1.675) 2.728 10.057 ( -2.154 0.000 1.675) 2.728 10.216 ( -2.540 0.000 -6.015) 6.530 10.216 ( -2.540 0.000 6.015) 6.530 10.743 ( -0.429 0.000 -0.704) 0.825 10.743 ( -0.429 0.000 0.704) 0.825 10.860 ( 10.871 0.000 -14.353) 18.005 10.860 ( 10.871 0.000 14.353) 18.005 11.347 ( -0.351 0.000 -0.689) 0.773 11.347 ( -0.351 0.000 0.689) 0.773 11.788 ( 7.467 0.000 -12.329) 14.414 11.788 ( 7.467 0.000 12.329) 14.414 11.868 ( 0.290 0.000 -0.235) 0.373 11.868 ( 0.290 0.000 0.235) 0.373 12.084 ( 0.042 0.000 -1.065) 1.065 12.084 ( 0.042 0.000 1.065) 1.065 12.598 ( -10.910 0.000 -3.828) 11.562 12.598 ( -10.910 0.000 3.828) 11.562 13.248 ( -5.771 0.000 -2.990) 6.499 13.248 ( -5.771 0.000 2.990) 6.499 14.134 ( 1.681 0.000 -5.063) 5.335 14.134 ( 1.681 0.000 5.063) 5.335 14.817 ( -0.555 0.000 -4.537) 4.571 14.817 ( -0.555 0.000 4.537) 4.571 16.255 ( -2.218 0.000 -2.925) 3.671 16.255 ( -2.218 0.000 2.925) 3.671 16.395 ( -0.910 0.000 -2.429) 2.594 16.395 ( -0.910 0.000 2.429) 2.594 17.077 ( 0.531 0.000 -2.281) 2.342 17.077 ( 0.531 0.000 2.281) 2.342 17.373 ( -0.459 0.000 -2.429) 2.472 17.373 ( -0.459 0.000 2.429) 2.472 ======================= Grid point 154 (51/72) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.427 ( 13.228 0.000 -12.810) 18.414 1.427 ( 13.228 0.000 12.810) 18.414 1.492 ( 14.121 0.000 -16.290) 21.559 1.492 ( 14.121 0.000 16.290) 21.559 1.715 ( -12.543 0.000 -8.158) 14.963 1.715 ( -12.543 0.000 8.158) 14.963 1.808 ( -16.766 0.000 -9.820) 19.430 1.808 ( -16.766 0.000 9.820) 19.430 2.314 ( 0.023 0.000 -1.152) 1.153 2.314 ( 0.023 0.000 1.152) 1.153 2.403 ( -0.205 0.000 -0.640) 0.672 2.403 ( -0.205 0.000 0.640) 0.672 2.627 ( 24.275 0.000 -23.640) 33.885 2.627 ( 24.275 0.000 23.640) 33.885 2.691 ( 2.263 0.000 -1.596) 2.769 2.691 ( 2.263 0.000 1.596) 2.769 2.892 ( -1.044 0.000 -1.540) 1.861 2.892 ( -1.044 0.000 1.540) 1.861 2.988 ( 0.140 0.000 -9.003) 9.004 2.988 ( 0.140 0.000 9.003) 9.004 3.143 ( 9.972 0.000 -10.058) 14.164 3.143 ( 9.972 0.000 10.058) 14.164 3.383 ( -8.399 0.000 -10.636) 13.553 3.383 ( -8.399 0.000 10.636) 13.553 3.692 ( -11.472 0.000 -11.572) 16.295 3.692 ( -11.472 0.000 11.572) 16.295 3.785 ( -13.002 0.000 -9.427) 16.060 3.785 ( -13.002 0.000 9.427) 16.060 4.909 ( 2.910 0.000 -6.367) 7.000 4.909 ( 2.910 0.000 6.367) 7.000 5.160 ( -3.273 0.000 -2.271) 3.984 5.160 ( -3.273 0.000 2.271) 3.984 5.473 ( 2.931 0.000 -1.099) 3.130 5.473 ( 2.931 0.000 1.099) 3.130 5.826 ( 2.984 0.000 -0.651) 3.054 5.826 ( 2.984 0.000 0.651) 3.054 6.865 ( 0.278 0.000 -3.679) 3.689 6.865 ( 0.278 0.000 3.679) 3.689 7.378 ( -6.642 0.000 -6.885) 9.566 7.378 ( -6.642 0.000 6.885) 9.566 8.243 ( 4.864 0.000 -9.032) 10.258 8.243 ( 4.864 0.000 9.032) 10.258 8.410 ( -7.356 0.000 -8.624) 11.336 8.410 ( -7.356 0.000 8.624) 11.336 8.486 ( 7.974 0.000 -1.860) 8.188 8.486 ( 7.974 0.000 1.860) 8.188 8.859 ( -3.457 0.000 -3.298) 4.777 8.859 ( -3.457 0.000 3.298) 4.777 9.388 ( 4.521 0.000 -0.998) 4.630 9.388 ( 4.521 0.000 0.998) 4.630 10.011 ( -1.789 0.000 -0.754) 1.942 10.011 ( -1.789 0.000 0.754) 1.942 10.099 ( 2.541 0.000 -1.984) 3.224 10.099 ( 2.541 0.000 1.984) 3.224 10.177 ( -1.177 0.000 -2.899) 3.129 10.177 ( -1.177 0.000 2.899) 3.129 10.735 ( -0.253 0.000 -0.272) 0.371 10.735 ( -0.253 0.000 0.272) 0.371 11.174 ( 17.529 0.000 -8.865) 19.643 11.174 ( 17.529 0.000 8.865) 19.643 11.341 ( -0.214 0.000 -0.270) 0.344 11.341 ( -0.214 0.000 0.270) 0.344 11.748 ( -11.512 0.000 -10.473) 15.563 11.748 ( -11.512 0.000 10.473) 15.563 11.874 ( 0.175 0.000 -0.111) 0.207 11.874 ( 0.175 0.000 0.111) 0.207 12.085 ( 0.025 0.000 -0.410) 0.411 12.085 ( 0.025 0.000 0.410) 0.411 12.482 ( 0.143 0.000 -3.026) 3.029 12.482 ( 0.143 0.000 3.026) 3.029 13.137 ( -4.048 0.000 -1.454) 4.301 13.137 ( -4.048 0.000 1.454) 4.301 14.155 ( 0.463 0.000 -2.434) 2.477 14.155 ( 0.463 0.000 2.434) 2.477 14.811 ( -0.108 0.000 -1.976) 1.979 14.811 ( -0.108 0.000 1.976) 1.979 16.236 ( 0.112 0.000 -2.031) 2.034 16.236 ( 0.112 0.000 2.031) 2.034 16.362 ( -1.694 0.000 -1.909) 2.552 16.362 ( -1.694 0.000 1.909) 2.552 17.090 ( 0.565 0.000 -0.836) 1.009 17.090 ( 0.565 0.000 0.836) 1.009 17.363 ( -0.379 0.000 -1.029) 1.096 17.363 ( -0.379 0.000 1.029) 1.096 ======================= Grid point 160 (52/72) ======================= q-point: ( 0.00 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( 0.000 8.953 -20.177) 22.074 1.272 ( 0.000 8.953 20.177) 22.074 1.319 ( 0.000 17.326 -17.528) 24.646 1.319 ( 0.000 17.326 17.528) 24.646 2.071 ( 0.000 16.232 -15.064) 22.145 2.071 ( 0.000 16.232 15.064) 22.145 2.228 ( 0.000 14.727 -3.588) 15.158 2.228 ( 0.000 14.727 3.588) 15.158 2.387 ( 0.000 8.329 -4.567) 9.499 2.387 ( 0.000 8.329 4.567) 9.499 2.520 ( 0.000 7.328 -2.801) 7.845 2.520 ( 0.000 7.328 2.801) 7.845 2.574 ( 0.000 11.637 -2.435) 11.889 2.574 ( 0.000 11.637 2.435) 11.889 2.654 ( 0.000 11.765 -0.593) 11.779 2.654 ( 0.000 11.765 0.593) 11.779 2.753 ( 0.000 16.039 -4.097) 16.554 2.753 ( 0.000 16.039 4.097) 16.554 2.838 ( 0.000 2.615 -6.922) 7.399 2.838 ( 0.000 2.615 6.922) 7.399 3.100 ( 0.000 15.968 -3.375) 16.321 3.100 ( 0.000 15.968 3.375) 16.321 3.585 ( 0.000 -1.440 -19.659) 19.711 3.585 ( 0.000 -1.440 19.659) 19.711 4.101 ( 0.000 1.102 -15.187) 15.227 4.101 ( 0.000 1.102 15.187) 15.227 4.437 ( 0.000 -0.712 -14.983) 15.000 4.437 ( 0.000 -0.712 14.983) 15.000 4.738 ( 0.000 -2.691 -0.365) 2.716 4.738 ( 0.000 -2.691 0.365) 2.716 5.085 ( 0.000 -1.146 -6.690) 6.787 5.085 ( 0.000 -1.146 6.690) 6.787 5.393 ( 0.000 -3.765 -4.739) 6.052 5.393 ( 0.000 -3.765 4.739) 6.052 5.630 ( 0.000 -2.582 -2.281) 3.445 5.630 ( 0.000 -2.582 2.281) 3.445 6.966 ( 0.000 -2.465 -0.261) 2.479 6.966 ( 0.000 -2.465 0.261) 2.479 7.707 ( 0.000 -6.119 -2.084) 6.464 7.707 ( 0.000 -6.119 2.084) 6.464 7.889 ( 0.000 -2.643 -8.419) 8.824 7.889 ( 0.000 -2.643 8.419) 8.824 8.291 ( 0.000 9.052 -5.796) 10.748 8.291 ( 0.000 9.052 5.796) 10.748 8.790 ( 0.000 6.462 -5.156) 8.267 8.790 ( 0.000 6.462 5.156) 8.267 9.003 ( 0.000 9.675 -1.002) 9.727 9.003 ( 0.000 9.675 1.002) 9.727 9.307 ( 0.000 14.593 -4.016) 15.135 9.307 ( 0.000 14.593 4.016) 15.135 9.971 ( 0.000 3.823 -8.134) 8.988 9.971 ( 0.000 3.823 8.134) 8.988 10.238 ( 0.000 12.589 -0.433) 12.597 10.238 ( 0.000 12.589 0.433) 12.597 10.314 ( 0.000 5.696 -10.843) 12.249 10.314 ( 0.000 5.696 10.843) 12.249 10.635 ( 0.000 -3.956 -3.750) 5.451 10.635 ( 0.000 -3.956 3.750) 5.451 10.823 ( 0.000 1.176 -11.925) 11.983 10.823 ( 0.000 1.176 11.925) 11.983 11.238 ( 0.000 -7.588 -4.069) 8.610 11.238 ( 0.000 -7.588 4.069) 8.610 11.736 ( 0.000 -6.096 -0.325) 6.105 11.736 ( 0.000 -6.096 0.325) 6.105 11.864 ( 0.000 8.916 -5.813) 10.643 11.864 ( 0.000 8.916 5.813) 10.643 12.056 ( 0.000 -0.738 -3.456) 3.533 12.056 ( 0.000 -0.738 3.456) 3.533 12.742 ( 0.000 0.237 -1.402) 1.422 12.742 ( 0.000 0.237 1.402) 1.422 13.323 ( 0.000 0.183 -2.782) 2.788 13.323 ( 0.000 0.183 2.782) 2.788 14.097 ( 0.000 -1.544 -6.007) 6.202 14.097 ( 0.000 -1.544 6.007) 6.202 14.730 ( 0.000 -9.340 -4.266) 10.268 14.730 ( 0.000 -9.340 4.266) 10.268 16.237 ( 0.000 -5.335 -1.541) 5.553 16.237 ( 0.000 -5.335 1.541) 5.553 16.345 ( 0.000 -4.595 -0.703) 4.649 16.345 ( 0.000 -4.595 0.703) 4.649 17.007 ( 0.000 -6.303 -2.507) 6.783 17.007 ( 0.000 -6.303 2.507) 6.783 17.300 ( 0.000 -7.605 -2.564) 8.026 17.300 ( 0.000 -7.605 2.564) 8.026 ======================= Grid point 162 (53/72) ======================= q-point: ( 0.20 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( 7.046 8.164 -20.439) 23.110 1.341 ( 7.046 8.164 20.439) 23.110 1.420 ( 9.511 17.440 -17.780) 26.660 1.420 ( 9.511 17.440 17.780) 26.660 2.100 ( -11.488 6.883 -2.185) 13.570 2.100 ( -11.488 6.883 2.185) 13.570 2.139 ( -2.733 13.506 -1.848) 13.903 2.139 ( -2.733 13.506 1.848) 13.903 2.314 ( 3.682 13.417 -18.895) 23.465 2.314 ( 3.682 13.417 18.895) 23.465 2.489 ( 1.166 13.573 -1.748) 13.735 2.489 ( 1.166 13.573 1.748) 13.735 2.607 ( 1.569 17.264 -4.805) 17.989 2.607 ( 1.569 17.264 4.805) 17.989 2.789 ( 4.230 14.904 -4.258) 16.067 2.789 ( 4.230 14.904 4.258) 16.067 2.847 ( 12.616 4.481 -1.477) 13.470 2.847 ( 12.616 4.481 1.477) 13.470 2.930 ( 8.467 2.429 -7.671) 11.680 2.930 ( 8.467 2.429 7.671) 11.680 3.092 ( -0.491 15.797 -2.928) 16.073 3.092 ( -0.491 15.797 2.928) 16.073 3.529 ( -5.290 -0.657 -17.189) 17.997 3.529 ( -5.290 -0.657 17.189) 17.997 3.997 ( -10.321 0.663 -15.286) 18.456 3.997 ( -10.321 0.663 15.286) 18.456 4.140 ( -22.784 0.491 -15.104) 27.340 4.140 ( -22.784 0.491 15.104) 27.340 4.817 ( 4.595 -2.066 -8.335) 9.739 4.817 ( 4.595 -2.066 8.335) 9.739 5.165 ( 3.120 -1.821 -4.685) 5.915 5.165 ( 3.120 -1.821 4.685) 5.915 5.374 ( 0.571 -3.777 -4.132) 5.627 5.374 ( 0.571 -3.777 4.132) 5.627 5.700 ( 5.526 -2.981 -2.118) 6.627 5.700 ( 5.526 -2.981 2.118) 6.627 6.906 ( -3.562 0.089 -3.409) 4.931 6.906 ( -3.562 0.089 3.409) 4.931 7.536 ( -11.300 -3.476 -10.082) 15.538 7.536 ( -11.300 -3.476 10.082) 15.538 8.062 ( 10.006 -5.217 -4.428) 12.122 8.062 ( 10.006 -5.217 4.428) 12.122 8.346 ( 5.065 6.016 -6.320) 10.089 8.346 ( 5.065 6.016 6.320) 10.089 8.754 ( -4.502 13.268 -6.189) 15.317 8.754 ( -4.502 13.268 6.189) 15.317 8.977 ( -0.774 6.504 -1.358) 6.689 8.977 ( -0.774 6.504 1.358) 6.689 9.406 ( 7.791 14.408 -3.166) 16.683 9.406 ( 7.791 14.408 3.166) 16.683 10.005 ( 3.013 1.290 -4.569) 5.623 10.005 ( 3.013 1.290 4.569) 5.623 10.213 ( -2.209 10.969 -1.909) 11.350 10.213 ( -2.209 10.969 1.909) 11.350 10.265 ( -3.436 5.602 -6.173) 9.016 10.265 ( -3.436 5.602 6.173) 9.016 10.679 ( 3.416 -3.286 -2.456) 5.338 10.679 ( 3.416 -3.286 2.456) 5.338 10.939 ( 11.056 4.852 -11.413) 16.615 10.939 ( 11.056 4.852 11.413) 16.615 11.248 ( 0.925 -7.583 -3.330) 8.333 11.248 ( 0.925 -7.583 3.330) 8.333 11.690 ( -2.541 -8.610 -4.090) 9.865 11.690 ( -2.541 -8.610 4.090) 9.865 11.890 ( -0.262 0.459 -8.297) 8.314 11.890 ( -0.262 0.459 8.297) 8.314 12.084 ( 1.590 2.716 -1.724) 3.589 12.084 ( 1.590 2.716 1.724) 3.589 12.625 ( -9.701 1.548 -2.951) 10.258 12.625 ( -9.701 1.548 2.951) 10.258 13.273 ( -3.913 1.777 -2.889) 5.178 13.273 ( -3.913 1.777 2.889) 5.178 14.111 ( 0.733 -2.685 -5.851) 6.480 14.111 ( 0.733 -2.685 5.851) 6.480 14.730 ( 0.179 -8.567 -3.792) 9.370 14.730 ( 0.179 -8.567 3.792) 9.370 16.209 ( -1.549 -4.514 -2.355) 5.321 16.209 ( -1.549 -4.514 2.355) 5.321 16.350 ( -0.434 -4.208 -2.021) 4.688 16.350 ( -0.434 -4.208 2.021) 4.688 17.010 ( 0.404 -6.489 -1.992) 6.800 17.010 ( 0.404 -6.489 1.992) 6.800 17.298 ( -0.195 -7.290 -2.231) 7.626 17.298 ( -0.195 -7.290 2.231) 7.626 ======================= Grid point 164 (54/72) ======================= q-point: ( 0.40 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( 12.086 5.767 -13.689) 19.150 1.536 ( 12.086 5.767 13.689) 19.150 1.648 ( 12.140 17.528 -11.404) 24.180 1.648 ( 12.140 17.528 11.404) 24.180 1.830 ( -13.982 4.688 -7.578) 16.580 1.830 ( -13.982 4.688 7.578) 16.580 1.943 ( -12.161 17.980 -6.037) 22.531 1.943 ( -12.161 17.980 6.037) 22.531 2.433 ( 1.766 11.841 -0.889) 12.005 2.433 ( 1.766 11.841 0.889) 12.005 2.550 ( 1.852 13.591 -0.126) 13.717 2.550 ( 1.852 13.591 0.126) 13.717 2.752 ( 13.501 12.720 -11.667) 21.913 2.752 ( 13.501 12.720 11.667) 21.913 2.868 ( 3.685 15.227 -5.675) 16.663 2.868 ( 3.685 15.227 5.675) 16.663 3.013 ( 3.343 10.093 -5.020) 11.758 3.013 ( 3.343 10.093 5.020) 11.758 3.080 ( 1.501 8.999 -4.372) 10.117 3.080 ( 1.501 8.999 4.372) 10.117 3.169 ( 9.371 5.117 -6.093) 12.293 3.169 ( 9.371 5.117 6.093) 12.293 3.399 ( -6.818 1.942 -9.410) 11.781 3.399 ( -6.818 1.942 9.410) 11.781 3.705 ( -13.636 1.843 -12.675) 18.708 3.705 ( -13.636 1.843 12.675) 18.708 3.765 ( -13.166 -1.727 -9.034) 16.061 3.765 ( -13.166 -1.727 9.034) 16.061 4.902 ( 3.497 -0.668 -6.377) 7.304 4.902 ( 3.497 -0.668 6.377) 7.304 5.130 ( -3.593 -2.932 -2.566) 5.300 5.130 ( -3.593 -2.932 2.566) 5.300 5.435 ( 2.928 -3.524 -0.908) 4.671 5.435 ( 2.928 -3.524 0.908) 4.671 5.791 ( 2.831 -3.518 -0.735) 4.576 5.791 ( 2.831 -3.518 0.735) 4.576 6.882 ( 0.547 1.771 -3.586) 4.037 6.882 ( 0.547 1.771 3.586) 4.037 7.347 ( -6.294 -2.510 -6.454) 9.358 7.347 ( -6.294 -2.510 6.454) 9.358 8.204 ( 4.313 -3.655 -4.534) 7.247 8.204 ( 4.313 -3.655 4.534) 7.247 8.420 ( 0.829 2.170 -4.241) 4.836 8.420 ( 0.829 2.170 4.241) 4.836 8.687 ( -0.744 14.073 -1.894) 14.219 8.687 ( -0.744 14.073 1.894) 14.219 8.950 ( -1.833 10.020 -1.178) 10.254 8.950 ( -1.833 10.020 1.178) 10.254 9.547 ( 4.943 14.096 -1.488) 15.011 9.547 ( 4.943 14.096 1.488) 15.011 10.050 ( 0.839 1.468 -1.103) 2.019 10.050 ( 0.839 1.468 1.103) 2.019 10.181 ( -0.167 6.692 -3.114) 7.383 10.181 ( -0.167 6.692 3.114) 7.383 10.208 ( -2.307 6.091 -2.718) 7.057 10.208 ( -2.307 6.091 2.718) 7.057 10.730 ( 1.308 -0.567 -0.655) 1.569 10.730 ( 1.308 -0.567 0.655) 1.569 11.214 ( 12.976 0.949 -7.491) 15.013 11.214 ( 12.976 0.949 7.491) 15.013 11.269 ( 2.155 -4.175 -3.268) 5.723 11.269 ( 2.155 -4.175 3.268) 5.723 11.666 ( 0.071 -10.812 -4.459) 11.696 11.666 ( 0.071 -10.812 4.459) 11.696 11.784 ( -10.329 -2.782 -7.204) 12.897 11.784 ( -10.329 -2.782 7.204) 12.897 12.068 ( -1.785 0.304 -1.406) 2.293 12.068 ( -1.785 0.304 1.406) 2.293 12.498 ( -1.964 0.649 -2.089) 2.940 12.498 ( -1.964 0.649 2.089) 2.940 13.211 ( -1.861 5.582 -1.398) 6.048 13.211 ( -1.861 5.582 1.398) 6.048 14.114 ( -0.159 -4.508 -2.470) 5.142 14.114 ( -0.159 -4.508 2.470) 5.142 14.737 ( 0.370 -7.316 -1.532) 7.484 14.737 ( 0.370 -7.316 1.532) 7.484 16.201 ( 0.466 -3.550 -1.657) 3.946 16.201 ( 0.466 -3.550 1.657) 3.946 16.323 ( -1.580 -3.699 -1.670) 4.355 16.323 ( -1.580 -3.699 1.670) 4.355 17.022 ( 0.533 -6.680 -0.740) 6.742 17.022 ( 0.533 -6.680 0.740) 6.742 17.293 ( -0.266 -6.889 -0.969) 6.962 17.293 ( -0.266 -6.889 0.969) 6.962 ======================= Grid point 170 (55/72) ======================= q-point: ( 0.00 0.13 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( 0.000 13.083 -9.676) 16.272 1.500 ( 0.000 13.083 9.676) 16.272 1.649 ( 0.000 16.212 -11.170) 19.688 1.649 ( 0.000 16.212 11.170) 19.688 2.317 ( 0.000 3.475 -7.594) 8.352 2.317 ( 0.000 3.475 7.594) 8.352 2.556 ( 0.000 13.064 -3.115) 13.430 2.556 ( 0.000 13.064 3.115) 13.430 2.671 ( 0.000 19.158 -0.048) 19.158 2.671 ( 0.000 19.158 0.048) 19.158 2.792 ( 0.000 20.225 -7.564) 21.593 2.792 ( 0.000 20.225 7.564) 21.593 2.841 ( 0.000 13.498 -3.510) 13.947 2.841 ( 0.000 13.498 3.510) 13.947 2.918 ( 0.000 19.330 -0.371) 19.333 2.918 ( 0.000 19.330 0.371) 19.333 3.076 ( 0.000 19.777 -0.677) 19.789 3.076 ( 0.000 19.777 0.677) 19.789 3.174 ( 0.000 24.530 -2.961) 24.708 3.174 ( 0.000 24.530 2.961) 24.708 3.498 ( 0.000 19.146 -2.111) 19.262 3.498 ( 0.000 19.146 2.111) 19.262 3.578 ( 0.000 5.049 -13.716) 14.616 3.578 ( 0.000 5.049 13.716) 14.616 4.143 ( 0.000 3.253 -14.464) 14.826 4.143 ( 0.000 3.253 14.464) 14.826 4.435 ( 0.000 1.395 -12.755) 12.831 4.435 ( 0.000 1.395 12.755) 12.831 4.673 ( 0.000 -3.511 -0.491) 3.545 4.673 ( 0.000 -3.511 0.491) 3.545 5.065 ( 0.000 -0.492 -5.910) 5.930 5.065 ( 0.000 -0.492 5.910) 5.930 5.292 ( 0.000 -6.236 -5.055) 8.028 5.292 ( 0.000 -6.236 5.055) 8.028 5.557 ( 0.000 -4.686 -3.371) 5.772 5.557 ( 0.000 -4.686 3.371) 5.772 6.939 ( 0.000 -0.009 -0.132) 0.133 6.939 ( 0.000 -0.009 0.132) 0.133 7.613 ( 0.000 -3.178 -2.885) 4.292 7.613 ( 0.000 -3.178 2.885) 4.292 7.849 ( 0.000 -1.313 -5.986) 6.128 7.849 ( 0.000 -1.313 5.986) 6.128 8.409 ( 0.000 2.971 -2.780) 4.069 8.409 ( 0.000 2.971 2.780) 4.069 8.855 ( 0.000 1.802 -0.553) 1.885 8.855 ( 0.000 1.802 0.553) 1.885 9.301 ( 0.000 15.850 -3.170) 16.164 9.301 ( 0.000 15.850 3.170) 16.164 9.621 ( 0.000 14.126 -2.171) 14.292 9.621 ( 0.000 14.126 2.171) 14.292 10.040 ( 0.000 2.811 -7.591) 8.095 10.040 ( 0.000 2.811 7.591) 8.095 10.353 ( 0.000 0.336 -10.111) 10.117 10.353 ( 0.000 0.336 10.111) 10.117 10.430 ( 0.000 2.181 -5.658) 6.064 10.430 ( 0.000 2.181 5.658) 6.064 10.659 ( 0.000 1.144 -3.528) 3.709 10.659 ( 0.000 1.144 3.528) 3.709 10.925 ( 0.000 6.760 -4.811) 8.297 10.925 ( 0.000 6.760 4.811) 8.297 11.060 ( 0.000 -0.001 -4.686) 4.686 11.060 ( 0.000 -0.001 4.686) 4.686 11.692 ( 0.000 4.624 -4.903) 6.739 11.692 ( 0.000 4.624 4.903) 6.739 12.042 ( 0.000 7.196 -9.606) 12.002 12.042 ( 0.000 7.196 9.606) 12.002 12.091 ( 0.000 4.241 -3.578) 5.548 12.091 ( 0.000 4.241 3.578) 5.548 12.724 ( 0.000 -2.130 -2.020) 2.935 12.724 ( 0.000 -2.130 2.020) 2.935 13.288 ( 0.000 -4.430 -1.550) 4.694 13.288 ( 0.000 -4.430 1.550) 4.694 14.032 ( 0.000 -5.314 -9.069) 10.511 14.032 ( 0.000 -5.314 9.069) 10.511 14.473 ( 0.000 -15.709 -2.973) 15.988 14.473 ( 0.000 -15.709 2.973) 15.988 16.092 ( 0.000 -8.776 -0.199) 8.778 16.092 ( 0.000 -8.776 0.199) 8.778 16.240 ( 0.000 -5.454 -0.628) 5.490 16.240 ( 0.000 -5.454 0.628) 5.490 16.839 ( 0.000 -10.032 -1.385) 10.127 16.839 ( 0.000 -10.032 1.385) 10.127 17.090 ( 0.000 -12.969 -2.037) 13.128 17.090 ( 0.000 -12.969 2.037) 13.128 ======================= Grid point 172 (56/72) ======================= q-point: ( 0.20 0.13 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( 5.425 12.771 -13.861) 19.612 1.556 ( 5.425 12.771 13.861) 19.612 1.747 ( 9.652 14.949 -15.673) 23.713 1.747 ( 9.652 14.949 15.673) 23.713 2.179 ( -10.914 4.549 -2.019) 11.995 2.179 ( -10.914 4.549 2.019) 11.995 2.539 ( -6.024 17.914 -5.875) 19.792 2.539 ( -6.024 17.914 5.875) 19.792 2.743 ( 2.910 22.664 -0.916) 22.868 2.743 ( 2.910 22.664 0.916) 22.868 2.772 ( 3.388 17.690 -5.233) 18.756 2.772 ( 3.388 17.690 5.233) 18.756 2.899 ( 7.688 5.900 -5.551) 11.168 2.899 ( 7.688 5.900 5.551) 11.168 3.003 ( 5.729 16.572 -4.207) 18.032 3.003 ( 5.729 16.572 4.207) 18.032 3.120 ( 4.717 21.334 -6.556) 22.812 3.120 ( 4.717 21.334 6.556) 22.812 3.224 ( 4.699 22.768 -2.835) 23.420 3.224 ( 4.699 22.768 2.835) 23.420 3.468 ( -2.665 15.076 -6.925) 16.803 3.468 ( -2.665 15.076 6.925) 16.803 3.557 ( -1.878 10.196 -11.311) 15.344 3.557 ( -1.878 10.196 11.311) 15.344 4.013 ( -12.122 0.946 -12.748) 17.616 4.013 ( -12.122 0.946 12.748) 17.616 4.203 ( -18.302 7.285 -13.768) 24.034 4.203 ( -18.302 7.285 13.768) 24.034 4.764 ( 6.258 -3.112 -6.735) 9.706 4.764 ( 6.258 -3.112 6.735) 9.706 5.121 ( 0.901 -2.323 -3.681) 4.445 5.121 ( 0.901 -2.323 3.681) 4.445 5.278 ( 1.375 -5.458 -3.576) 6.668 5.278 ( 1.375 -5.458 3.576) 6.668 5.613 ( 4.504 -5.660 -2.677) 7.712 5.613 ( 4.504 -5.660 2.677) 7.712 6.924 ( -0.537 1.900 -3.095) 3.671 6.924 ( -0.537 1.900 3.095) 3.671 7.477 ( -9.985 -2.007 -8.979) 13.578 7.477 ( -9.985 -2.007 8.979) 13.578 7.978 ( 9.083 -3.278 -2.627) 10.007 7.978 ( 9.083 -3.278 2.627) 10.007 8.422 ( 0.992 1.522 -4.137) 4.519 8.422 ( 0.992 1.522 4.137) 4.519 8.916 ( 3.633 3.717 -1.034) 5.300 8.916 ( 3.633 3.717 1.034) 5.300 9.227 ( -3.835 14.843 -2.035) 15.465 9.227 ( -3.835 14.843 2.035) 15.465 9.725 ( 7.481 14.415 -2.924) 16.501 9.725 ( 7.481 14.415 2.924) 16.501 10.053 ( 1.755 4.181 -2.461) 5.159 10.053 ( 1.755 4.181 2.461) 5.159 10.329 ( -3.508 3.383 -6.808) 8.373 10.329 ( -3.508 3.383 6.808) 8.373 10.396 ( -0.896 0.120 -6.365) 6.429 10.396 ( -0.896 0.120 6.365) 6.429 10.687 ( 2.353 1.848 -4.180) 5.140 10.687 ( 2.353 1.848 4.180) 5.140 11.029 ( 6.547 -1.190 -2.557) 7.129 11.029 ( 6.547 -1.190 2.557) 7.129 11.102 ( 6.166 4.645 -8.715) 11.642 11.102 ( 6.166 4.645 8.715) 11.642 11.632 ( -5.706 5.029 -5.165) 9.194 11.632 ( -5.706 5.029 5.165) 9.194 11.893 ( -7.159 0.810 -4.069) 8.275 11.893 ( -7.159 0.810 4.069) 8.275 12.189 ( 2.046 6.678 -4.324) 8.214 12.189 ( 2.046 6.678 4.324) 8.214 12.630 ( -8.529 -1.030 -1.777) 8.773 12.630 ( -8.529 -1.030 1.777) 8.773 13.279 ( 0.043 -2.006 -1.797) 2.693 13.279 ( 0.043 -2.006 1.797) 2.693 14.010 ( -2.248 -7.600 -6.835) 10.466 14.010 ( -2.248 -7.600 6.835) 10.466 14.493 ( 1.829 -14.579 -2.011) 14.830 14.493 ( 1.829 -14.579 2.011) 14.830 16.085 ( -0.131 -7.647 -0.529) 7.667 16.085 ( -0.131 -7.647 0.529) 7.667 16.246 ( -0.058 -5.750 -1.137) 5.862 16.246 ( -0.058 -5.750 1.137) 5.862 16.837 ( -0.047 -10.390 -1.187) 10.458 16.837 ( -0.047 -10.390 1.187) 10.458 17.097 ( 0.507 -12.434 -1.860) 12.583 17.097 ( 0.507 -12.434 1.860) 12.583 ======================= Grid point 174 (57/72) ======================= q-point: ( 0.40 0.13 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( 8.282 10.148 -10.994) 17.101 1.699 ( 8.282 10.148 10.994) 17.101 1.943 ( -6.059 8.612 -8.376) 13.455 1.943 ( -6.059 8.612 8.376) 13.455 2.001 ( 8.604 14.296 -10.887) 19.923 2.001 ( 8.604 14.296 10.887) 19.923 2.332 ( -12.214 17.602 -8.522) 23.057 2.332 ( -12.214 17.602 8.522) 23.057 2.784 ( 1.006 21.979 -1.064) 22.028 2.784 ( 1.006 21.979 1.064) 22.028 2.874 ( 4.096 16.513 -1.786) 17.107 2.874 ( 4.096 16.513 1.786) 17.107 3.038 ( 5.725 11.681 -1.815) 13.134 3.038 ( 5.725 11.681 1.815) 13.134 3.108 ( 1.475 7.233 -3.731) 8.271 3.108 ( 1.475 7.233 3.731) 8.271 3.263 ( 8.109 16.881 -5.222) 19.442 3.263 ( 8.109 16.881 5.222) 19.442 3.336 ( 5.102 17.926 -7.576) 20.119 3.336 ( 5.102 17.926 7.576) 20.119 3.449 ( 3.283 13.811 -1.825) 14.312 3.449 ( 3.283 13.811 1.825) 14.312 3.530 ( 0.692 17.984 -4.756) 18.616 3.530 ( 0.692 17.984 4.756) 18.616 3.735 ( -13.395 0.421 -7.080) 15.157 3.735 ( -13.395 0.421 7.080) 15.157 3.832 ( -17.089 12.963 -13.029) 25.096 3.832 ( -17.089 12.963 13.029) 25.096 4.885 ( 5.514 -0.976 -6.255) 8.396 4.885 ( 5.514 -0.976 6.255) 8.396 5.053 ( -5.013 -4.314 -3.420) 7.445 5.053 ( -5.013 -4.314 3.420) 7.445 5.345 ( 2.721 -5.199 -0.762) 5.917 5.345 ( 2.721 -5.199 0.762) 5.917 5.688 ( 2.338 -6.788 -0.960) 7.244 5.688 ( 2.338 -6.788 0.960) 7.244 6.939 ( 1.498 4.005 -3.427) 5.480 6.939 ( 1.498 4.005 3.427) 5.480 7.304 ( -5.972 -1.440 -5.892) 8.512 7.304 ( -5.972 -1.440 5.892) 8.512 8.121 ( 4.319 -4.423 -1.539) 6.371 8.121 ( 4.319 -4.423 1.539) 6.371 8.437 ( 0.356 -0.655 -3.245) 3.330 8.437 ( 0.356 -0.655 3.245) 3.330 8.929 ( -1.056 9.070 -1.231) 9.214 8.929 ( -1.056 9.070 1.231) 9.214 9.209 ( 0.611 12.625 -1.043) 12.682 9.209 ( 0.611 12.625 1.043) 12.682 9.858 ( 5.157 14.751 -2.534) 15.830 9.858 ( 5.157 14.751 2.534) 15.830 10.091 ( 0.998 3.871 -2.816) 4.890 10.091 ( 0.998 3.871 2.816) 4.890 10.248 ( -3.082 3.308 -3.026) 5.441 10.248 ( -3.082 3.308 3.026) 5.441 10.401 ( 0.534 4.227 -3.702) 5.644 10.401 ( 0.534 4.227 3.702) 5.644 10.735 ( 1.858 1.798 -1.780) 3.138 10.735 ( 1.858 1.798 1.780) 3.138 11.116 ( 3.841 -4.173 -2.887) 6.364 11.116 ( 3.841 -4.173 2.887) 6.364 11.238 ( 1.860 -1.102 -7.852) 8.144 11.238 ( 1.860 -1.102 7.852) 8.144 11.578 ( 4.621 3.127 -2.136) 5.975 11.578 ( 4.621 3.127 2.136) 5.975 11.762 ( -7.803 2.172 -6.950) 10.672 11.762 ( -7.803 2.172 6.950) 10.672 12.143 ( -4.508 6.982 -2.902) 8.803 12.143 ( -4.508 6.982 2.902) 8.803 12.486 ( -3.928 -1.852 -0.995) 4.455 12.486 ( -3.928 -1.852 0.995) 4.455 13.298 ( 1.157 2.417 -0.831) 2.806 13.298 ( 1.157 2.417 0.831) 2.806 13.962 ( -1.839 -10.798 -2.325) 11.197 13.962 ( -1.839 -10.798 2.325) 11.197 14.527 ( 1.137 -13.445 -0.535) 13.503 14.527 ( 1.137 -13.445 0.535) 13.503 16.099 ( 1.113 -6.565 -0.641) 6.689 16.099 ( 1.113 -6.565 0.641) 6.689 16.227 ( -1.344 -5.591 -0.934) 5.825 16.227 ( -1.344 -5.591 0.934) 5.825 16.841 ( 0.321 -10.930 -0.453) 10.944 16.841 ( 0.321 -10.930 0.453) 10.944 17.104 ( 0.118 -11.623 -0.850) 11.654 17.104 ( 0.118 -11.623 0.850) 11.654 ======================= Grid point 180 (58/72) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( 0.000 13.369 -2.524) 13.605 1.768 ( 0.000 13.369 2.524) 13.605 1.980 ( 0.000 16.794 -4.364) 17.351 1.980 ( 0.000 16.794 4.364) 17.351 2.371 ( 0.000 2.507 -4.321) 4.996 2.371 ( 0.000 2.507 4.321) 4.996 2.665 ( 0.000 3.620 -4.116) 5.482 2.665 ( 0.000 3.620 4.116) 5.482 2.879 ( 0.000 4.480 -2.893) 5.333 2.879 ( 0.000 4.480 2.893) 5.333 3.188 ( 0.000 20.608 -2.946) 20.818 3.188 ( 0.000 20.608 2.946) 20.818 3.267 ( 0.000 13.395 -7.035) 15.130 3.267 ( 0.000 13.395 7.035) 15.130 3.319 ( 0.000 13.063 -1.404) 13.139 3.319 ( 0.000 13.063 1.404) 13.139 3.475 ( 0.000 26.193 -0.856) 26.207 3.475 ( 0.000 26.193 0.856) 26.207 3.636 ( 0.000 10.998 -7.229) 13.161 3.636 ( 0.000 10.998 7.229) 13.161 3.718 ( 0.000 26.711 -9.193) 28.249 3.718 ( 0.000 26.711 9.193) 28.249 3.967 ( 0.000 16.429 -10.638) 19.572 3.967 ( 0.000 16.429 10.638) 19.572 4.245 ( 0.000 9.650 -9.756) 13.723 4.245 ( 0.000 9.650 9.756) 13.723 4.556 ( 0.000 11.717 -5.951) 13.141 4.556 ( 0.000 11.717 5.951) 13.141 4.619 ( 0.000 -0.917 -2.721) 2.871 4.619 ( 0.000 -0.917 2.721) 2.871 5.084 ( 0.000 2.092 -3.104) 3.743 5.084 ( 0.000 2.092 3.104) 3.743 5.155 ( 0.000 -6.187 -6.094) 8.685 5.155 ( 0.000 -6.187 6.094) 8.685 5.453 ( 0.000 -5.274 -4.771) 7.112 5.453 ( 0.000 -5.274 4.771) 7.112 6.967 ( 0.000 2.861 -0.255) 2.872 6.967 ( 0.000 2.861 0.255) 2.872 7.577 ( 0.000 -0.568 -2.011) 2.089 7.577 ( 0.000 -0.568 2.011) 2.089 7.831 ( 0.000 -0.887 -3.271) 3.389 7.831 ( 0.000 -0.887 3.271) 3.389 8.410 ( 0.000 -3.237 -1.978) 3.793 8.410 ( 0.000 -3.237 1.978) 3.793 8.907 ( 0.000 3.944 -0.607) 3.990 8.907 ( 0.000 3.944 0.607) 3.990 9.506 ( 0.000 3.149 -0.678) 3.221 9.506 ( 0.000 3.149 0.678) 3.221 9.810 ( 0.000 5.683 -0.641) 5.719 9.810 ( 0.000 5.683 0.641) 5.719 10.084 ( 0.000 1.397 -7.235) 7.369 10.084 ( 0.000 1.397 7.235) 7.369 10.307 ( 0.000 -11.398 -3.737) 11.995 10.307 ( 0.000 -11.398 3.737) 11.995 10.411 ( 0.000 0.207 -2.631) 2.639 10.411 ( 0.000 0.207 2.631) 2.639 10.543 ( 0.000 0.992 -0.292) 1.034 10.543 ( 0.000 0.992 0.292) 1.034 11.127 ( 0.000 16.398 -1.663) 16.483 11.127 ( 0.000 16.398 1.663) 16.483 11.391 ( 0.000 19.969 -6.251) 20.924 11.391 ( 0.000 19.969 6.251) 20.924 11.856 ( 0.000 9.754 -4.347) 10.679 11.856 ( 0.000 9.754 4.347) 10.679 12.140 ( 0.000 3.242 -12.038) 12.467 12.140 ( 0.000 3.242 12.038) 12.467 12.218 ( 0.000 7.789 -2.190) 8.091 12.218 ( 0.000 7.789 2.190) 8.091 12.664 ( 0.000 -3.590 -1.510) 3.895 12.664 ( 0.000 -3.590 1.510) 3.895 13.132 ( 0.000 -11.114 -1.348) 11.195 13.132 ( 0.000 -11.114 1.348) 11.195 13.887 ( 0.000 -8.895 -8.828) 12.532 13.887 ( 0.000 -8.895 8.828) 12.532 14.137 ( 0.000 -17.330 -1.747) 17.418 14.137 ( 0.000 -17.330 1.747) 17.418 15.903 ( 0.000 -9.795 -2.399) 10.085 15.903 ( 0.000 -9.795 2.399) 10.085 16.140 ( 0.000 -4.588 -3.009) 5.487 16.140 ( 0.000 -4.588 3.009) 5.487 16.629 ( 0.000 -10.673 -0.244) 10.676 16.629 ( 0.000 -10.673 0.244) 10.676 16.805 ( 0.000 -15.049 -1.689) 15.144 16.805 ( 0.000 -15.049 1.689) 15.144 ======================= Grid point 182 (59/72) ======================= q-point: ( 0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( 4.533 12.977 -6.434) 15.177 1.819 ( 4.533 12.977 6.434) 15.177 2.036 ( 6.032 14.204 -9.488) 18.116 2.036 ( 6.032 14.204 9.488) 18.116 2.284 ( -6.570 5.821 -1.032) 8.838 2.284 ( -6.570 5.821 1.032) 8.838 2.730 ( 1.431 4.530 -6.742) 8.248 2.730 ( 1.431 4.530 6.742) 8.248 2.922 ( 3.725 2.806 -2.913) 5.499 2.922 ( 3.725 2.806 2.913) 5.499 3.094 ( -2.458 12.708 -4.215) 13.612 3.094 ( -2.458 12.708 4.215) 13.612 3.254 ( -1.468 18.035 -6.165) 19.116 3.254 ( -1.468 18.035 6.165) 19.116 3.380 ( 2.852 11.618 -5.028) 12.976 3.380 ( 2.852 11.618 5.028) 12.976 3.480 ( -0.415 21.034 -0.682) 21.050 3.480 ( -0.415 21.034 0.682) 21.050 3.653 ( 2.375 15.747 -8.160) 17.894 3.653 ( 2.375 15.747 8.160) 17.894 3.751 ( 2.600 24.300 -12.022) 27.236 3.751 ( 2.600 24.300 12.022) 27.236 3.937 ( -2.967 14.314 -9.701) 17.544 3.937 ( -2.967 14.314 9.701) 17.544 4.114 ( -9.069 15.257 -5.180) 18.489 4.114 ( -9.069 15.257 5.180) 18.489 4.454 ( -10.008 16.558 -8.595) 21.171 4.454 ( -10.008 16.558 8.595) 21.171 4.713 ( 7.809 -0.570 -2.797) 8.314 4.713 ( 7.809 -0.570 2.797) 8.314 5.080 ( -2.544 -1.983 -1.165) 3.430 5.080 ( -2.544 -1.983 1.165) 3.430 5.182 ( 3.621 -2.674 -2.650) 5.223 5.182 ( 3.621 -2.674 2.650) 5.223 5.482 ( 2.525 -7.003 -3.715) 8.320 5.482 ( 2.525 -7.003 3.715) 8.320 6.982 ( 1.779 3.918 -2.572) 5.013 6.982 ( 1.779 3.918 2.572) 5.013 7.459 ( -9.064 0.162 -7.331) 11.659 7.459 ( -9.064 0.162 7.331) 11.659 7.923 ( 6.642 -2.621 -3.245) 7.844 7.923 ( 6.642 -2.621 3.245) 7.844 8.405 ( -0.573 -3.586 -1.879) 4.089 8.405 ( -0.573 -3.586 1.879) 4.089 8.977 ( 5.577 3.357 -0.786) 6.556 8.977 ( 5.577 3.357 0.786) 6.556 9.425 ( -5.350 4.001 -1.254) 6.798 9.425 ( -5.350 4.001 1.254) 6.798 9.899 ( 6.720 4.000 -3.110) 8.417 9.899 ( 6.720 4.000 3.110) 8.417 10.169 ( 7.708 4.510 -4.571) 10.032 10.169 ( 7.708 4.510 4.571) 10.032 10.298 ( -1.621 -7.288 -3.037) 8.060 10.298 ( -1.621 -7.288 3.037) 8.060 10.393 ( -0.967 2.334 -1.716) 3.054 10.393 ( -0.967 2.334 1.716) 3.054 10.579 ( 3.995 -2.794 -4.056) 6.342 10.579 ( 3.995 -2.794 4.056) 6.342 11.163 ( 2.651 13.550 -1.577) 13.897 11.163 ( 2.651 13.550 1.577) 13.897 11.396 ( 0.124 17.444 -7.150) 18.853 11.396 ( 0.124 17.444 7.150) 18.853 11.779 ( -10.030 5.799 -4.819) 12.548 11.779 ( -10.030 5.799 4.819) 12.548 11.947 ( -6.171 5.793 -5.679) 10.192 11.947 ( -6.171 5.793 5.679) 10.192 12.333 ( 3.048 7.598 -4.693) 9.437 12.333 ( 3.048 7.598 4.693) 9.437 12.597 ( -7.514 -1.765 -1.712) 7.906 12.597 ( -7.514 -1.765 1.712) 7.906 13.174 ( 5.019 -8.619 -0.898) 10.014 13.174 ( 5.019 -8.619 0.898) 10.014 13.821 ( -5.710 -10.583 -5.544) 13.241 13.821 ( -5.710 -10.583 5.544) 13.241 14.175 ( 2.883 -16.831 -0.494) 17.083 14.175 ( 2.883 -16.831 0.494) 17.083 15.916 ( 1.289 -9.021 -2.369) 9.416 15.916 ( 1.289 -9.021 2.369) 9.416 16.133 ( -0.763 -5.490 -2.789) 6.205 16.133 ( -0.763 -5.490 2.789) 6.205 16.620 ( -0.644 -10.852 -0.331) 10.877 16.620 ( -0.644 -10.852 0.331) 10.877 16.825 ( 1.610 -14.321 -1.772) 14.520 16.825 ( 1.610 -14.321 1.772) 14.520 ======================= Grid point 184 (60/72) ======================= q-point: ( 0.40 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.914 ( 4.335 10.912 -6.661) 13.500 1.914 ( 4.335 10.912 6.661) 13.500 2.115 ( -3.347 8.581 -6.474) 11.258 2.115 ( -3.347 8.581 6.474) 11.258 2.267 ( 9.801 12.468 -8.957) 18.214 2.267 ( 9.801 12.468 8.957) 18.214 2.587 ( -12.258 8.441 -10.281) 18.089 2.587 ( -12.258 8.441 10.281) 18.089 3.034 ( 6.679 1.602 -0.507) 6.887 3.034 ( 6.679 1.602 0.507) 6.887 3.150 ( 0.540 5.593 -2.326) 6.082 3.150 ( 0.540 5.593 2.326) 6.082 3.219 ( 0.736 14.624 -4.179) 15.227 3.219 ( 0.736 14.624 4.179) 15.227 3.430 ( 2.568 14.232 -1.682) 14.559 3.430 ( 2.568 14.232 1.682) 14.559 3.470 ( 1.317 14.889 -0.853) 14.971 3.470 ( 1.317 14.889 0.853) 14.971 3.626 ( -8.073 6.360 -3.201) 10.764 3.626 ( -8.073 6.360 3.201) 10.764 3.801 ( 4.009 20.290 -3.137) 20.918 3.801 ( 4.009 20.290 3.137) 20.918 3.888 ( -2.555 21.290 -2.898) 21.638 3.888 ( -2.555 21.290 2.898) 21.638 4.044 ( 4.289 26.172 -6.012) 27.194 4.044 ( 4.289 26.172 6.012) 27.194 4.227 ( -11.860 23.455 -9.189) 27.843 4.227 ( -11.860 23.455 9.189) 27.843 4.864 ( 7.040 -0.801 -3.444) 7.879 4.864 ( 7.040 -0.801 3.444) 7.879 4.996 ( -5.464 -0.000 -2.560) 6.034 4.996 ( -5.464 -0.000 2.560) 6.034 5.247 ( 2.029 -3.868 -0.742) 4.430 5.247 ( 2.029 -3.868 0.742) 4.430 5.527 ( 1.454 -9.048 -1.339) 9.261 5.527 ( 1.454 -9.048 1.339) 9.261 7.038 ( 3.165 5.743 -3.295) 7.339 7.038 ( 3.165 5.743 3.295) 7.339 7.293 ( -6.337 0.324 -5.302) 8.269 7.293 ( -6.337 0.324 5.302) 8.269 8.029 ( 3.238 -4.955 -0.957) 5.996 8.029 ( 3.238 -4.955 0.957) 5.996 8.393 ( -0.431 -3.953 -1.100) 4.126 8.393 ( -0.431 -3.953 1.100) 4.126 9.053 ( 1.519 4.190 -0.843) 4.536 9.053 ( 1.519 4.190 0.843) 4.536 9.362 ( -0.965 2.876 -1.042) 3.207 9.362 ( -0.965 2.876 1.042) 3.207 10.043 ( 7.776 3.641 -7.710) 11.540 10.043 ( 7.776 3.641 7.710) 11.540 10.190 ( -6.001 0.594 -9.845) 11.545 10.190 ( -6.001 0.594 9.845) 11.545 10.346 ( 5.175 3.810 -1.899) 6.701 10.346 ( 5.175 3.810 1.899) 6.701 10.388 ( -0.201 6.692 -0.362) 6.705 10.388 ( -0.201 6.692 0.362) 6.705 10.699 ( 6.803 -4.971 -5.204) 9.903 10.699 ( 6.803 -4.971 5.204) 9.903 11.165 ( -3.328 5.175 -4.731) 7.762 11.165 ( -3.328 5.175 4.731) 7.762 11.367 ( -2.199 13.068 -3.087) 13.607 11.367 ( -2.199 13.068 3.087) 13.607 11.598 ( -4.385 -0.624 -2.193) 4.943 11.598 ( -4.385 -0.624 2.193) 4.943 11.935 ( 2.506 12.611 -3.641) 13.363 11.935 ( 2.506 12.611 3.641) 13.363 12.321 ( -4.077 9.757 -2.954) 10.980 12.321 ( -4.077 9.757 2.954) 10.980 12.437 ( -4.676 -2.108 -0.343) 5.141 12.437 ( -4.676 -2.108 0.343) 5.141 13.296 ( 5.298 -2.576 -0.579) 5.919 13.296 ( 5.298 -2.576 0.579) 5.919 13.706 ( -4.659 -13.928 -1.709) 14.786 13.706 ( -4.659 -13.928 1.709) 14.786 14.220 ( 1.273 -16.981 -0.352) 17.033 14.220 ( 1.273 -16.981 0.352) 17.033 15.948 ( 1.440 -8.376 -1.351) 8.605 15.948 ( 1.440 -8.376 1.351) 8.605 16.110 ( -1.175 -6.078 -1.456) 6.359 16.110 ( -1.175 -6.078 1.456) 6.359 16.612 ( -0.131 -11.383 -0.226) 11.386 16.612 ( -0.131 -11.383 0.226) 11.386 16.851 ( 0.789 -13.188 -0.866) 13.240 16.851 ( 0.789 -13.188 0.866) 13.240 ======================= Grid point 190 (61/72) ======================= q-point: ( 0.00 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.018 ( 0.000 11.496 -1.101) 11.548 2.018 ( 0.000 11.496 1.101) 11.548 2.294 ( 0.000 13.868 -3.964) 14.423 2.294 ( 0.000 13.868 3.964) 14.423 2.423 ( 0.000 3.029 -2.726) 4.075 2.423 ( 0.000 3.029 2.726) 4.075 2.721 ( 0.000 2.024 -3.658) 4.181 2.721 ( 0.000 2.024 3.658) 4.181 2.987 ( 0.000 6.489 -1.611) 6.686 2.987 ( 0.000 6.489 1.611) 6.686 3.316 ( 0.000 0.363 -10.764) 10.770 3.316 ( 0.000 0.363 10.764) 10.770 3.476 ( 0.000 5.585 -6.796) 8.797 3.476 ( 0.000 5.585 6.796) 8.797 3.577 ( 0.000 10.300 -5.347) 11.605 3.577 ( 0.000 10.300 5.347) 11.605 3.818 ( 0.000 8.137 -8.505) 11.771 3.818 ( 0.000 8.137 8.505) 11.771 3.966 ( 0.000 18.283 -4.088) 18.735 3.966 ( 0.000 18.283 4.088) 18.735 4.041 ( 0.000 0.707 -13.023) 13.042 4.041 ( 0.000 0.707 13.023) 13.042 4.319 ( 0.000 27.748 -10.330) 29.609 4.319 ( 0.000 27.748 10.330) 29.609 4.512 ( 0.000 8.255 -3.161) 8.840 4.512 ( 0.000 8.255 3.161) 8.840 4.691 ( 0.000 8.653 -6.527) 10.838 4.691 ( 0.000 8.653 6.527) 10.838 4.851 ( 0.000 13.921 -1.679) 14.022 4.851 ( 0.000 13.921 1.679) 14.022 5.020 ( 0.000 0.027 -3.379) 3.379 5.020 ( 0.000 0.027 3.379) 3.379 5.250 ( 0.000 11.560 -2.077) 11.745 5.250 ( 0.000 11.560 2.077) 11.745 5.389 ( 0.000 0.927 -5.562) 5.639 5.389 ( 0.000 0.927 5.562) 5.639 7.053 ( 0.000 5.709 -0.532) 5.734 7.053 ( 0.000 5.709 0.532) 5.734 7.584 ( 0.000 1.076 -0.466) 1.173 7.584 ( 0.000 1.076 0.466) 1.173 7.791 ( 0.000 -3.983 -1.403) 4.223 7.791 ( 0.000 -3.983 1.403) 4.223 8.266 ( 0.000 -10.924 -5.845) 12.389 8.266 ( 0.000 -10.924 5.845) 12.389 9.021 ( 0.000 7.416 -0.997) 7.482 9.021 ( 0.000 7.416 0.997) 7.482 9.484 ( 0.000 -1.970 -0.689) 2.087 9.484 ( 0.000 -1.970 0.689) 2.087 9.873 ( 0.000 0.155 -3.419) 3.422 9.873 ( 0.000 0.155 3.419) 3.422 10.068 ( 0.000 -1.935 -2.813) 3.414 10.068 ( 0.000 -1.935 2.813) 3.414 10.130 ( 0.000 -4.209 -5.280) 6.753 10.130 ( 0.000 -4.209 5.280) 6.753 10.418 ( 0.000 3.774 -0.337) 3.789 10.418 ( 0.000 3.774 0.337) 3.789 10.750 ( 0.000 14.408 -1.588) 14.496 10.750 ( 0.000 14.408 1.588) 14.496 11.443 ( 0.000 13.415 -3.932) 13.980 11.443 ( 0.000 13.415 3.932) 13.980 11.704 ( 0.000 10.194 -5.319) 11.498 11.704 ( 0.000 10.194 5.319) 11.498 11.988 ( 0.000 0.890 -5.664) 5.733 11.988 ( 0.000 0.890 5.664) 5.733 12.216 ( 0.000 5.982 -10.353) 11.957 12.216 ( 0.000 5.982 10.353) 11.957 12.373 ( 0.000 6.789 -1.884) 7.045 12.373 ( 0.000 6.789 1.884) 7.045 12.590 ( 0.000 -3.730 -0.190) 3.735 12.590 ( 0.000 -3.730 0.190) 3.735 12.890 ( 0.000 -10.789 -3.258) 11.270 12.890 ( 0.000 -10.789 3.258) 11.270 13.698 ( 0.000 -9.726 -6.012) 11.434 13.698 ( 0.000 -9.726 6.012) 11.434 13.802 ( 0.000 -16.036 -0.384) 16.040 13.802 ( 0.000 -16.036 0.384) 16.040 15.718 ( 0.000 -8.490 -5.035) 9.871 15.718 ( 0.000 -8.490 5.035) 9.871 16.053 ( 0.000 -4.318 -4.671) 6.361 16.053 ( 0.000 -4.318 4.671) 6.361 16.406 ( 0.000 -12.568 -2.361) 12.788 16.406 ( 0.000 -12.568 2.361) 12.788 16.531 ( 0.000 -11.029 -1.719) 11.162 16.531 ( 0.000 -11.029 1.719) 11.162 ======================= Grid point 192 (62/72) ======================= q-point: ( 0.20 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( 3.415 10.748 -2.445) 11.540 2.057 ( 3.415 10.748 2.445) 11.540 2.287 ( -0.496 9.812 -6.816) 11.958 2.287 ( -0.496 9.812 6.816) 11.958 2.412 ( 0.236 7.341 -2.133) 7.648 2.412 ( 0.236 7.341 2.133) 7.648 2.785 ( 3.345 1.224 -6.684) 7.574 2.785 ( 3.345 1.224 6.684) 7.574 2.991 ( 0.077 4.749 -3.662) 5.997 2.991 ( 0.077 4.749 3.662) 5.997 3.253 ( -2.861 4.223 -8.246) 9.696 3.253 ( -2.861 4.223 8.246) 9.696 3.392 ( -5.814 2.499 -10.427) 12.197 3.392 ( -5.814 2.499 10.427) 12.197 3.624 ( 1.258 8.488 -5.039) 9.951 3.624 ( 1.258 8.488 5.039) 9.951 3.827 ( 0.054 8.658 -5.531) 10.274 3.827 ( 0.054 8.658 5.531) 10.274 3.947 ( -3.311 16.752 -6.436) 18.249 3.947 ( -3.311 16.752 6.436) 18.249 4.038 ( 2.219 6.444 -3.306) 7.574 4.038 ( 2.219 6.444 3.306) 7.574 4.345 ( 1.294 24.425 -9.253) 26.151 4.345 ( 1.294 24.425 9.253) 26.151 4.459 ( -2.906 10.748 -2.840) 11.491 4.459 ( -2.906 10.748 2.840) 11.491 4.688 ( -0.983 9.467 -2.421) 9.821 4.688 ( -0.983 9.467 2.421) 9.821 4.890 ( 3.161 14.528 -1.059) 14.905 4.890 ( 3.161 14.528 1.059) 14.905 5.045 ( 2.063 1.412 -4.404) 5.064 5.045 ( 2.063 1.412 4.404) 5.064 5.249 ( -0.069 9.610 -1.225) 9.688 5.249 ( -0.069 9.610 1.225) 9.688 5.382 ( -0.649 -0.451 -5.048) 5.110 5.382 ( -0.649 -0.451 5.048) 5.110 7.079 ( 2.690 5.721 -1.541) 6.507 7.079 ( 2.690 5.721 1.541) 6.507 7.476 ( -8.332 1.154 -4.936) 9.753 7.476 ( -8.332 1.154 4.936) 9.753 7.857 ( 4.304 -4.579 -3.167) 7.037 7.857 ( 4.304 -4.579 3.167) 7.037 8.269 ( 0.225 -9.755 -4.668) 10.816 8.269 ( 0.225 -9.755 4.668) 10.816 9.068 ( 3.914 5.942 -1.860) 7.354 9.068 ( 3.914 5.942 1.860) 7.354 9.436 ( -3.577 -0.267 -1.623) 3.937 9.436 ( -3.577 -0.267 1.623) 3.937 9.929 ( 5.077 -0.842 -6.232) 8.082 9.929 ( 5.077 -0.842 6.232) 8.082 10.131 ( 2.372 -3.500 -3.921) 5.766 10.131 ( 2.372 -3.500 3.921) 5.766 10.230 ( 11.947 -1.849 -1.927) 12.241 10.230 ( 11.947 -1.849 1.927) 12.241 10.430 ( 2.000 4.909 -2.719) 5.957 10.430 ( 2.000 4.909 2.719) 5.957 10.741 ( -0.972 13.968 -2.217) 14.176 10.741 ( -0.972 13.968 2.217) 14.176 11.409 ( -5.010 8.469 -7.313) 12.260 11.409 ( -5.010 8.469 7.313) 12.260 11.660 ( -5.190 7.181 -4.828) 10.091 11.660 ( -5.190 7.181 4.828) 10.091 11.832 ( -12.056 2.368 -6.267) 13.793 11.832 ( -12.056 2.368 6.267) 13.793 12.104 ( -2.311 7.410 -5.717) 9.641 12.104 ( -2.311 7.410 5.717) 9.641 12.468 ( 2.025 5.107 -1.978) 5.839 12.468 ( 2.025 5.107 1.978) 5.839 12.591 ( -2.891 1.717 -4.075) 5.283 12.591 ( -2.891 1.717 4.075) 5.283 12.966 ( 9.596 -10.303 -1.016) 14.116 12.966 ( 9.596 -10.303 1.016) 14.116 13.619 ( -6.712 -9.414 -3.134) 11.979 13.619 ( -6.712 -9.414 3.134) 11.979 13.838 ( 2.225 -16.759 -1.341) 16.960 13.838 ( 2.225 -16.759 1.341) 16.960 15.739 ( 1.845 -8.483 -4.375) 9.722 15.739 ( 1.845 -8.483 4.375) 9.722 16.022 ( -2.458 -5.886 -3.939) 7.496 16.022 ( -2.458 -5.886 3.939) 7.496 16.412 ( 0.059 -10.342 -2.497) 10.640 16.412 ( 0.059 -10.342 2.497) 10.640 16.557 ( 2.363 -11.714 -2.285) 12.167 16.557 ( 2.363 -11.714 2.285) 12.167 ======================= Grid point 194 (63/72) ======================= q-point: ( 0.40 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( 1.806 9.097 -3.170) 9.802 2.116 ( 1.806 9.097 3.170) 9.802 2.275 ( -0.681 7.295 -4.974) 8.855 2.275 ( -0.681 7.295 4.974) 8.855 2.490 ( 8.180 9.288 -5.303) 13.464 2.490 ( 8.180 9.288 5.303) 13.464 2.702 ( -10.425 3.753 -9.633) 14.682 2.702 ( -10.425 3.753 9.633) 14.682 3.043 ( 4.535 0.909 -0.797) 4.693 3.043 ( 4.535 0.909 0.797) 4.693 3.243 ( -3.305 4.130 -2.726) 5.951 3.243 ( -3.305 4.130 2.726) 5.951 3.337 ( 4.367 1.791 -2.810) 5.493 3.337 ( 4.367 1.791 2.810) 5.493 3.577 ( -5.470 3.509 -2.479) 6.956 3.577 ( -5.470 3.509 2.479) 6.956 3.809 ( -1.022 12.140 -3.799) 12.761 3.809 ( -1.022 12.140 3.799) 12.761 3.885 ( -1.546 19.059 -3.226) 19.391 3.885 ( -1.546 19.059 3.226) 19.391 4.130 ( 5.592 9.443 -5.001) 12.060 4.130 ( 5.592 9.443 5.001) 12.060 4.286 ( -5.421 15.126 -5.151) 16.874 4.286 ( -5.421 15.126 5.151) 16.874 4.490 ( 3.762 14.876 -3.025) 15.639 4.490 ( 3.762 14.876 3.025) 15.639 4.648 ( -2.622 19.456 -1.430) 19.683 4.648 ( -2.622 19.456 1.430) 19.683 4.943 ( 1.738 10.487 -1.058) 10.683 4.943 ( 1.738 10.487 1.058) 10.683 5.076 ( 0.668 5.950 -3.138) 6.759 5.076 ( 0.668 5.950 3.138) 6.759 5.252 ( 0.326 6.775 -1.088) 6.869 5.252 ( 0.326 6.775 1.088) 6.869 5.369 ( -0.447 -3.542 -2.379) 4.290 5.369 ( -0.447 -3.542 2.379) 4.290 7.157 ( 4.898 5.845 -2.607) 8.059 7.157 ( 4.898 5.845 2.607) 8.059 7.314 ( -7.272 1.638 -4.028) 8.473 7.314 ( -7.272 1.638 4.028) 8.473 7.918 ( 1.701 -6.203 -1.247) 6.552 7.918 ( 1.701 -6.203 1.247) 6.552 8.273 ( 0.126 -8.018 -1.770) 8.212 8.273 ( 0.126 -8.018 1.770) 8.212 9.129 ( 1.566 4.152 -1.572) 4.707 9.129 ( 1.566 4.152 1.572) 4.707 9.389 ( -0.970 1.565 -1.445) 2.341 9.389 ( -0.970 1.565 1.445) 2.341 10.023 ( 3.276 -3.692 -7.417) 8.909 10.023 ( 3.276 -3.692 7.417) 8.909 10.158 ( 0.213 -0.142 -7.778) 7.782 10.158 ( 0.213 -0.142 7.778) 7.782 10.456 ( 6.888 4.713 -1.738) 8.525 10.456 ( 6.888 4.713 1.738) 8.525 10.557 ( 11.373 2.435 -4.986) 12.655 10.557 ( 11.373 2.435 4.986) 12.655 10.705 ( -3.134 11.466 -4.654) 12.765 10.705 ( -3.134 11.466 4.654) 12.765 11.197 ( -12.531 -2.250 -7.449) 14.751 11.197 ( -12.531 -2.250 7.449) 14.751 11.570 ( -2.350 2.824 -2.900) 4.680 11.570 ( -2.350 2.824 2.900) 4.680 11.657 ( -5.177 9.087 -3.906) 11.164 11.657 ( -5.177 9.087 3.906) 11.164 12.161 ( 6.897 8.159 -1.995) 10.868 12.161 ( 6.897 8.159 1.995) 10.868 12.375 ( -9.402 0.109 -2.681) 9.777 12.375 ( -9.402 0.109 2.681) 9.777 12.556 ( 0.111 9.654 -2.406) 9.950 12.556 ( 0.111 9.654 2.406) 9.950 13.200 ( 11.782 -6.460 -0.331) 13.441 13.200 ( 11.782 -6.460 0.331) 13.441 13.457 ( -9.186 -10.029 -0.724) 13.620 13.457 ( -9.186 -10.029 0.724) 13.620 13.869 ( 0.787 -17.912 -0.687) 17.942 13.869 ( 0.787 -17.912 0.687) 17.942 15.774 ( 1.298 -8.757 -1.986) 9.073 15.774 ( 1.298 -8.757 1.986) 9.073 15.981 ( -1.338 -7.136 -1.748) 7.468 15.981 ( -1.338 -7.136 1.748) 7.468 16.407 ( -0.291 -9.022 -1.023) 9.085 16.407 ( -0.291 -9.022 1.023) 9.085 16.600 ( 1.442 -11.547 -1.045) 11.683 16.600 ( 1.442 -11.547 1.045) 11.683 ======================= Grid point 200 (64/72) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( 0.000 7.998 -1.449) 8.128 2.214 ( 0.000 7.998 1.449) 8.128 2.445 ( 0.000 2.728 -3.164) 4.177 2.445 ( 0.000 2.728 3.164) 4.177 2.556 ( 0.000 8.526 -2.107) 8.783 2.556 ( 0.000 8.526 2.107) 8.783 2.751 ( 0.000 1.127 -1.035) 1.530 2.751 ( 0.000 1.127 1.035) 1.530 3.135 ( 0.000 8.342 -1.820) 8.538 3.135 ( 0.000 8.342 1.820) 8.538 3.334 ( 0.000 2.106 -7.734) 8.015 3.334 ( 0.000 2.106 7.734) 8.015 3.518 ( 0.000 -0.107 -8.754) 8.755 3.518 ( 0.000 -0.107 8.754) 8.755 3.685 ( 0.000 1.546 -6.007) 6.203 3.685 ( 0.000 1.546 6.007) 6.203 3.901 ( 0.000 -1.195 -10.005) 10.076 3.901 ( 0.000 -1.195 10.005) 10.076 3.977 ( 0.000 -0.712 -11.370) 11.392 3.977 ( 0.000 -0.712 11.370) 11.392 4.285 ( 0.000 8.147 -4.533) 9.323 4.285 ( 0.000 8.147 4.533) 9.323 4.583 ( 0.000 -0.384 -1.787) 1.828 4.583 ( 0.000 -0.384 1.787) 1.828 4.656 ( 0.000 -1.077 -6.148) 6.242 4.656 ( 0.000 -1.077 6.148) 6.242 4.824 ( 0.000 14.750 -1.130) 14.793 4.824 ( 0.000 14.750 1.130) 14.793 5.074 ( 0.000 11.963 -0.071) 11.963 5.074 ( 0.000 11.963 0.071) 11.963 5.266 ( 0.000 18.067 -3.991) 18.503 5.266 ( 0.000 18.067 3.991) 18.503 5.513 ( 0.000 13.274 -2.765) 13.559 5.513 ( 0.000 13.274 2.765) 13.559 5.568 ( 0.000 15.425 -1.378) 15.487 5.568 ( 0.000 15.425 1.378) 15.487 7.187 ( 0.000 7.337 -0.262) 7.342 7.187 ( 0.000 7.337 0.262) 7.342 7.602 ( 0.000 -3.796 -1.318) 4.018 7.602 ( 0.000 -3.796 1.318) 4.018 7.643 ( 0.000 -6.838 -3.006) 7.469 7.643 ( 0.000 -6.838 3.006) 7.469 8.040 ( 0.000 -9.878 -4.960) 11.053 8.040 ( 0.000 -9.878 4.960) 11.053 9.190 ( 0.000 9.128 -2.749) 9.533 9.190 ( 0.000 9.128 2.749) 9.533 9.498 ( 0.000 2.976 -2.286) 3.752 9.498 ( 0.000 2.976 2.286) 3.752 9.838 ( 0.000 -2.458 -2.416) 3.446 9.838 ( 0.000 -2.458 2.416) 3.446 10.026 ( 0.000 -0.972 -1.836) 2.077 10.026 ( 0.000 -0.972 1.836) 2.077 10.158 ( 0.000 5.577 -3.028) 6.346 10.158 ( 0.000 5.577 3.028) 6.346 10.546 ( 0.000 7.956 -2.639) 8.383 10.546 ( 0.000 7.956 2.639) 8.383 11.052 ( 0.000 15.253 -1.351) 15.313 11.052 ( 0.000 15.253 1.351) 15.313 11.561 ( 0.000 -4.767 -11.116) 12.095 11.561 ( 0.000 -4.767 11.116) 12.095 11.821 ( 0.000 3.593 -0.722) 3.665 11.821 ( 0.000 3.593 0.722) 3.665 11.936 ( 0.000 -1.947 -2.687) 3.319 11.936 ( 0.000 -1.947 2.687) 3.319 12.335 ( 0.000 4.179 -8.622) 9.582 12.335 ( 0.000 4.179 8.622) 9.582 12.418 ( 0.000 -3.202 -4.621) 5.622 12.418 ( 0.000 -3.202 4.621) 5.622 12.542 ( 0.000 -0.490 -2.784) 2.826 12.542 ( 0.000 -0.490 2.784) 2.826 12.803 ( 0.000 2.199 -1.881) 2.894 12.803 ( 0.000 2.199 1.881) 2.894 13.487 ( 0.000 -12.956 -2.040) 13.116 13.487 ( 0.000 -12.956 2.040) 13.116 13.531 ( 0.000 -9.234 -0.302) 9.239 13.531 ( 0.000 -9.234 0.302) 9.239 15.575 ( 0.000 -5.693 -6.532) 8.664 15.575 ( 0.000 -5.693 6.532) 8.664 15.959 ( 0.000 -5.413 -5.522) 7.733 15.959 ( 0.000 -5.413 5.522) 7.733 16.138 ( 0.000 -13.046 -3.500) 13.507 16.138 ( 0.000 -13.046 3.500) 13.507 16.373 ( 0.000 -5.790 -0.581) 5.820 16.373 ( 0.000 -5.790 0.581) 5.820 ======================= Grid point 202 (65/72) ======================= q-point: ( 0.20 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( 2.096 7.378 -1.416) 7.800 2.239 ( 2.096 7.378 1.416) 7.800 2.416 ( -1.935 4.227 -4.008) 6.138 2.416 ( -1.935 4.227 4.008) 6.138 2.562 ( 1.048 6.507 -0.912) 6.654 2.562 ( 1.048 6.507 0.912) 6.654 2.786 ( 1.367 -0.844 -4.580) 4.854 2.786 ( 1.367 -0.844 4.580) 4.854 3.120 ( -1.617 8.093 -2.177) 8.535 3.120 ( -1.617 8.093 2.177) 8.535 3.315 ( 0.565 3.083 -6.921) 7.598 3.315 ( 0.565 3.083 6.921) 7.598 3.441 ( -6.369 2.572 -9.229) 11.504 3.441 ( -6.369 2.572 9.229) 11.504 3.698 ( -0.287 1.282 -4.581) 4.766 3.698 ( -0.287 1.282 4.581) 4.766 3.911 ( 1.525 -1.144 -13.122) 13.260 3.911 ( 1.525 -1.144 13.122) 13.260 4.060 ( 6.558 0.903 -7.271) 9.832 4.060 ( 6.558 0.903 7.271) 9.832 4.223 ( -5.220 4.070 -7.225) 9.799 4.223 ( -5.220 4.070 7.225) 9.799 4.544 ( -2.143 5.594 -1.997) 6.314 4.544 ( -2.143 5.594 1.997) 6.314 4.674 ( -0.322 2.103 -3.269) 3.901 4.674 ( -0.322 2.103 3.269) 3.901 4.882 ( 5.395 7.945 -0.598) 9.622 4.882 ( 5.395 7.945 0.598) 9.622 5.064 ( -0.204 11.814 -1.051) 11.863 5.064 ( -0.204 11.814 1.051) 11.863 5.269 ( -0.643 15.990 -4.338) 16.580 5.269 ( -0.643 15.990 4.338) 16.580 5.516 ( 0.424 14.903 -2.289) 15.084 5.516 ( 0.424 14.903 2.289) 15.084 5.558 ( -0.887 15.887 -0.977) 15.942 5.558 ( -0.887 15.887 0.977) 15.942 7.203 ( 1.693 6.447 -0.525) 6.687 7.203 ( 1.693 6.447 0.525) 6.687 7.478 ( -7.169 -2.353 -2.044) 7.817 7.478 ( -7.169 -2.353 2.044) 7.817 7.734 ( 4.210 -6.411 -1.296) 7.778 7.734 ( 4.210 -6.411 1.296) 7.778 8.062 ( 1.782 -9.741 -3.623) 10.544 8.062 ( 1.782 -9.741 3.623) 10.544 9.212 ( 1.818 8.331 -3.700) 9.295 9.212 ( 1.818 8.331 3.700) 9.295 9.475 ( -1.507 4.113 -4.555) 6.319 9.475 ( -1.507 4.113 4.555) 6.319 9.899 ( 5.591 -1.476 -4.851) 7.548 9.899 ( 5.591 -1.476 4.851) 7.548 10.060 ( 2.982 -3.058 -1.811) 4.639 10.060 ( 2.982 -3.058 1.811) 4.639 10.261 ( 9.240 5.012 -3.753) 11.162 10.261 ( 9.240 5.012 3.753) 11.162 10.568 ( 3.025 7.381 -3.777) 8.826 10.568 ( 3.025 7.381 3.777) 8.826 11.032 ( -2.432 14.065 -2.761) 14.538 11.032 ( -2.432 14.065 2.761) 14.538 11.413 ( -13.881 -6.790 -10.303) 18.573 11.413 ( -13.881 -6.790 10.303) 18.573 11.755 ( -5.192 4.238 -5.552) 8.703 11.755 ( -5.192 4.238 5.552) 8.703 11.891 ( -5.670 2.138 -5.061) 7.895 11.891 ( -5.670 2.138 5.061) 7.895 12.199 ( -3.488 2.716 -6.589) 7.934 12.199 ( -3.488 2.716 6.589) 7.934 12.500 ( 0.265 -3.153 -1.255) 3.404 12.500 ( 0.265 -3.153 1.255) 3.404 12.623 ( 4.359 1.053 -6.297) 7.731 12.623 ( 4.359 1.053 6.297) 7.731 12.872 ( 8.925 1.768 -0.642) 9.121 12.872 ( 8.925 1.768 0.642) 9.121 13.450 ( -4.388 -7.934 -2.110) 9.309 13.450 ( -4.388 -7.934 2.110) 9.309 13.521 ( -0.431 -14.369 -1.373) 14.441 13.521 ( -0.431 -14.369 1.373) 14.441 15.589 ( 1.207 -6.334 -5.240) 8.309 15.589 ( 1.207 -6.334 5.240) 8.309 15.889 ( -4.667 -7.658 -3.940) 9.796 15.889 ( -4.667 -7.658 3.940) 9.796 16.205 ( 4.163 -9.754 -4.411) 11.486 16.205 ( 4.163 -9.754 4.411) 11.486 16.379 ( 0.847 -6.433 -2.086) 6.816 16.379 ( 0.847 -6.433 2.086) 6.816 ======================= Grid point 204 (66/72) ======================= q-point: ( 0.40 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( 0.762 6.456 -1.107) 6.595 2.271 ( 0.762 6.456 1.107) 6.595 2.398 ( -0.025 4.977 -3.109) 5.868 2.398 ( -0.025 4.977 3.109) 5.868 2.613 ( 4.227 3.182 -1.418) 5.477 2.613 ( 4.227 3.182 1.418) 5.477 2.741 ( -5.322 0.010 -5.436) 7.607 2.741 ( -5.322 0.010 5.436) 7.607 3.106 ( 0.519 5.598 -0.245) 5.627 3.106 ( 0.519 5.598 0.245) 5.627 3.322 ( -3.857 4.105 -3.529) 6.647 3.322 ( -3.857 4.105 3.529) 6.647 3.393 ( 4.947 4.611 -2.617) 7.251 3.393 ( 4.947 4.611 2.617) 7.251 3.642 ( -4.340 3.567 -1.060) 5.716 3.642 ( -4.340 3.567 1.060) 5.716 3.954 ( 1.985 1.250 -8.798) 9.105 3.954 ( 1.985 1.250 8.798) 9.105 4.108 ( -2.832 -1.422 -6.032) 6.814 4.108 ( -2.832 -1.422 6.032) 6.814 4.205 ( 4.468 3.964 -1.961) 6.286 4.205 ( 4.468 3.964 1.961) 6.286 4.489 ( -3.230 7.138 -2.772) 8.310 4.489 ( -3.230 7.138 2.772) 8.310 4.665 ( 0.028 5.258 -1.010) 5.354 4.665 ( 0.028 5.258 1.010) 5.354 4.977 ( 2.709 2.196 -0.462) 3.518 4.977 ( 2.709 2.196 0.462) 3.518 5.091 ( 3.086 11.290 -2.625) 11.995 5.091 ( 3.086 11.290 2.625) 11.995 5.222 ( -3.586 13.976 -3.825) 14.927 5.222 ( -3.586 13.976 3.825) 14.927 5.528 ( 0.509 17.382 -1.327) 17.440 5.528 ( 0.509 17.382 1.327) 17.440 5.543 ( -0.441 16.560 -0.479) 16.573 5.543 ( -0.441 16.560 0.479) 16.573 7.254 ( 3.374 3.551 -0.890) 4.979 7.254 ( 3.374 3.551 0.890) 4.979 7.351 ( -5.431 1.771 -1.394) 5.880 7.351 ( -5.431 1.771 1.394) 5.880 7.790 ( 1.423 -6.115 -0.359) 6.288 7.790 ( 1.423 -6.115 0.359) 6.288 8.091 ( 0.883 -9.594 -1.199) 9.709 8.091 ( 0.883 -9.594 1.199) 9.709 9.240 ( 0.793 7.306 -2.434) 7.742 9.240 ( 0.793 7.306 2.434) 7.742 9.457 ( -0.344 5.251 -3.117) 6.117 9.457 ( -0.344 5.251 3.117) 6.117 9.996 ( 2.591 1.658 -4.966) 5.842 9.996 ( 2.591 1.658 4.966) 5.842 10.150 ( 5.241 -1.930 -3.576) 6.632 10.150 ( 5.241 -1.930 3.576) 6.632 10.404 ( 3.501 -3.980 -2.627) 5.916 10.404 ( 3.501 -3.980 2.627) 5.916 10.714 ( 10.912 5.739 -4.162) 13.013 10.714 ( 10.912 5.739 4.162) 13.013 10.926 ( -8.608 9.553 -2.202) 13.046 10.926 ( -8.608 9.553 2.202) 13.046 11.154 ( -8.677 0.594 -4.560) 9.821 11.154 ( -8.677 0.594 4.560) 9.821 11.614 ( -7.120 3.645 -2.257) 8.311 11.614 ( -7.120 3.645 2.257) 8.311 11.793 ( -2.254 3.158 -2.393) 4.558 11.793 ( -2.254 3.158 2.393) 4.558 12.236 ( 4.875 1.150 -3.905) 6.351 12.236 ( 4.875 1.150 3.905) 6.351 12.420 ( -6.053 2.405 -2.855) 7.111 12.420 ( -6.053 2.405 2.855) 7.111 12.683 ( 1.718 2.174 -1.540) 3.170 12.683 ( 1.718 2.174 1.540) 3.170 13.100 ( 12.215 -2.113 -1.656) 12.506 13.100 ( 12.215 -2.113 1.656) 12.506 13.314 ( -9.196 -4.693 -1.002) 10.373 13.314 ( -9.196 -4.693 1.002) 10.373 13.518 ( -0.014 -17.076 -0.459) 17.082 13.518 ( -0.014 -17.076 0.459) 17.082 15.611 ( 0.746 -7.353 -1.991) 7.655 15.611 ( 0.746 -7.353 1.991) 7.655 15.822 ( -1.838 -8.731 -1.457) 9.041 15.822 ( -1.838 -8.731 1.457) 9.041 16.255 ( 0.967 -6.297 -2.102) 6.708 16.255 ( 0.967 -6.297 2.102) 6.708 16.403 ( 1.083 -8.164 -1.306) 8.338 16.403 ( 1.083 -8.164 1.306) 8.338 ======================= Grid point 210 (67/72) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.332 ( 0.000 3.869 -1.504) 4.151 2.332 ( 0.000 3.869 1.504) 4.151 2.490 ( 0.000 1.853 -3.033) 3.554 2.490 ( 0.000 1.853 3.033) 3.554 2.671 ( 0.000 3.178 -4.180) 5.250 2.671 ( 0.000 3.178 4.180) 5.250 2.773 ( 0.000 1.144 -4.622) 4.761 2.773 ( 0.000 1.144 4.622) 4.761 3.304 ( 0.000 7.495 -2.036) 7.767 3.304 ( 0.000 7.495 2.036) 7.767 3.406 ( 0.000 5.062 -4.153) 6.548 3.406 ( 0.000 5.062 4.153) 6.548 3.502 ( 0.000 -0.804 -5.682) 5.738 3.502 ( 0.000 -0.804 5.682) 5.738 3.687 ( 0.000 -0.549 -2.855) 2.907 3.687 ( 0.000 -0.549 2.855) 2.907 3.824 ( 0.000 -4.103 -2.972) 5.066 3.824 ( 0.000 -4.103 2.972) 5.066 4.003 ( 0.000 2.283 -3.832) 4.461 4.003 ( 0.000 2.283 3.832) 4.461 4.243 ( 0.000 -8.947 -3.387) 9.567 4.243 ( 0.000 -8.947 3.387) 9.567 4.493 ( 0.000 -7.486 -0.883) 7.538 4.493 ( 0.000 -7.486 0.883) 7.538 4.714 ( 0.000 5.879 -2.344) 6.329 4.714 ( 0.000 5.879 2.344) 6.329 5.036 ( 0.000 7.567 -0.062) 7.567 5.036 ( 0.000 7.567 0.062) 7.567 5.366 ( 0.000 14.155 -0.973) 14.188 5.366 ( 0.000 14.155 0.973) 14.188 5.575 ( 0.000 11.963 -3.226) 12.391 5.575 ( 0.000 11.963 3.226) 12.391 5.770 ( 0.000 11.508 -0.927) 11.545 5.770 ( 0.000 11.508 0.927) 11.545 5.860 ( 0.000 12.424 -0.482) 12.433 5.860 ( 0.000 12.424 0.482) 12.433 7.264 ( 0.000 -6.927 -0.830) 6.976 7.264 ( 0.000 -6.927 0.830) 6.976 7.415 ( 0.000 0.986 -1.503) 1.797 7.415 ( 0.000 0.986 1.503) 1.797 7.657 ( 0.000 1.624 -0.607) 1.734 7.657 ( 0.000 1.624 0.607) 1.734 7.878 ( 0.000 -7.303 -3.885) 8.272 7.878 ( 0.000 -7.303 3.885) 8.272 9.362 ( 0.000 7.309 -3.352) 8.041 9.362 ( 0.000 7.309 3.352) 8.041 9.568 ( 0.000 3.840 -1.429) 4.098 9.568 ( 0.000 3.840 1.429) 4.098 9.789 ( 0.000 -2.329 -0.682) 2.427 9.789 ( 0.000 -2.329 0.682) 2.427 10.090 ( 0.000 6.971 -3.919) 7.997 10.090 ( 0.000 6.971 3.919) 7.997 10.284 ( 0.000 6.114 -1.411) 6.275 10.284 ( 0.000 6.114 1.411) 6.275 10.693 ( 0.000 5.462 -0.953) 5.544 10.693 ( 0.000 5.462 0.953) 5.544 11.322 ( 0.000 4.457 -1.188) 4.612 11.322 ( 0.000 4.457 1.188) 4.612 11.350 ( 0.000 -4.518 -3.636) 5.800 11.350 ( 0.000 -4.518 3.636) 5.800 11.821 ( 0.000 -3.046 -6.795) 7.446 11.821 ( 0.000 -3.046 6.795) 7.446 11.981 ( 0.000 3.963 -3.026) 4.986 11.981 ( 0.000 3.963 3.026) 4.986 12.320 ( 0.000 -4.814 -2.771) 5.554 12.320 ( 0.000 -4.814 2.771) 5.554 12.400 ( 0.000 2.752 -4.784) 5.519 12.400 ( 0.000 2.752 4.784) 5.519 12.509 ( 0.000 -3.220 -1.121) 3.410 12.509 ( 0.000 -3.220 1.121) 3.410 12.895 ( 0.000 5.221 -1.241) 5.366 12.895 ( 0.000 5.221 1.241) 5.366 13.242 ( 0.000 -10.883 -1.355) 10.967 13.242 ( 0.000 -10.883 1.355) 10.967 13.398 ( 0.000 -4.577 -1.158) 4.721 13.398 ( 0.000 -4.577 1.158) 4.721 15.498 ( 0.000 -1.870 -6.263) 6.536 15.498 ( 0.000 -1.870 6.263) 6.536 15.808 ( 0.000 -9.909 -2.536) 10.228 15.808 ( 0.000 -9.909 2.536) 10.228 15.946 ( 0.000 -5.605 -2.055) 5.970 15.946 ( 0.000 -5.605 2.055) 5.970 16.282 ( 0.000 -3.476 -0.085) 3.477 16.282 ( 0.000 -3.476 0.085) 3.477 ======================= Grid point 212 (68/72) ======================= q-point: ( 0.20 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.349 ( 1.465 3.731 -1.137) 4.167 2.349 ( 1.465 3.731 1.137) 4.167 2.480 ( -0.743 2.312 -2.752) 3.671 2.480 ( -0.743 2.312 2.752) 3.671 2.650 ( -1.278 2.531 -2.994) 4.124 2.650 ( -1.278 2.531 2.994) 4.124 2.764 ( -1.571 -1.014 -5.231) 5.556 2.764 ( -1.571 -1.014 5.231) 5.556 3.283 ( -2.558 6.975 -2.128) 7.728 3.283 ( -2.558 6.975 2.128) 7.728 3.405 ( 2.683 6.487 -2.429) 7.428 3.405 ( 2.683 6.487 2.429) 7.428 3.493 ( -2.350 2.510 -6.584) 7.428 3.493 ( -2.350 2.510 6.584) 7.428 3.719 ( 1.958 1.002 -2.910) 3.648 3.719 ( 1.958 1.002 2.910) 3.648 3.832 ( 1.731 -5.179 -9.844) 11.257 3.832 ( 1.731 -5.179 9.844) 11.257 4.051 ( 2.452 -2.218 -7.205) 7.927 4.051 ( 2.452 -2.218 7.205) 7.927 4.173 ( -3.507 -4.970 -6.916) 9.211 4.173 ( -3.507 -4.970 6.916) 9.211 4.547 ( 2.112 -9.055 -1.309) 9.389 4.547 ( 2.112 -9.055 1.309) 9.389 4.711 ( 0.994 6.986 -0.930) 7.117 4.711 ( 0.994 6.986 0.930) 7.117 5.015 ( -2.081 6.138 -0.456) 6.498 5.015 ( -2.081 6.138 0.456) 6.498 5.361 ( 0.028 13.774 -1.280) 13.833 5.361 ( 0.028 13.774 1.280) 13.833 5.551 ( -2.511 11.316 -2.836) 11.933 5.551 ( -2.511 11.316 2.836) 11.933 5.797 ( 2.303 12.224 -1.934) 12.589 5.797 ( 2.303 12.224 1.934) 12.589 5.861 ( 0.061 12.862 -0.358) 12.867 5.861 ( 0.061 12.862 0.358) 12.867 7.273 ( 0.754 -4.871 -1.170) 5.066 7.273 ( 0.754 -4.871 1.170) 5.066 7.399 ( -1.318 1.757 -1.111) 2.461 7.399 ( -1.318 1.757 1.111) 2.461 7.678 ( 1.659 0.130 -1.212) 2.058 7.678 ( 1.659 0.130 1.212) 2.058 7.891 ( 1.120 -7.860 -3.282) 8.590 7.891 ( 1.120 -7.860 3.282) 8.590 9.386 ( 1.879 8.580 -4.404) 9.826 9.386 ( 1.879 8.580 4.404) 9.826 9.573 ( 0.705 5.209 -5.049) 7.288 9.573 ( 0.705 5.209 5.049) 7.288 9.839 ( 5.662 -4.487 -1.008) 7.294 9.839 ( 5.662 -4.487 1.008) 7.294 10.096 ( 0.606 6.680 -2.521) 7.165 10.096 ( 0.606 6.680 2.521) 7.165 10.370 ( 6.679 4.539 -4.219) 9.111 10.370 ( 6.679 4.539 4.219) 9.111 10.662 ( -2.894 0.483 -1.106) 3.135 10.662 ( -2.894 0.483 1.106) 3.135 11.197 ( -8.203 -0.846 -5.910) 10.145 11.197 ( -8.203 -0.846 5.910) 10.145 11.356 ( -1.978 7.362 -1.478) 7.765 11.356 ( -1.978 7.362 1.478) 7.765 11.784 ( -2.845 -2.077 -8.013) 8.753 11.784 ( -2.845 -2.077 8.013) 8.753 11.929 ( -6.712 1.982 -4.028) 8.075 11.929 ( -6.712 1.982 4.028) 8.075 12.247 ( -2.766 2.582 -9.029) 9.790 12.247 ( -2.766 2.582 9.029) 9.790 12.402 ( 2.155 -4.401 -1.638) 5.167 12.402 ( 2.155 -4.401 1.638) 5.167 12.620 ( 4.870 -2.023 -11.475) 12.628 12.620 ( 4.870 -2.023 11.475) 12.628 12.948 ( 5.657 4.054 -1.843) 7.200 12.948 ( 5.657 4.054 1.843) 7.200 13.229 ( -1.091 -11.686 -1.339) 11.813 13.229 ( -1.091 -11.686 1.339) 11.813 13.362 ( -3.540 -3.590 -1.867) 5.376 13.362 ( -3.540 -3.590 1.867) 5.376 15.495 ( -0.238 -2.926 -4.719) 5.557 15.495 ( -0.238 -2.926 4.719) 5.557 15.723 ( -5.208 -8.578 -2.865) 10.436 15.723 ( -5.208 -8.578 2.865) 10.436 16.048 ( 6.735 -5.896 -3.785) 9.719 16.048 ( 6.735 -5.896 3.785) 9.719 16.281 ( -0.173 -3.695 -1.268) 3.910 16.281 ( -0.173 -3.695 1.268) 3.910 ======================= Grid point 214 (69/72) ======================= q-point: ( 0.40 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.374 ( 0.815 3.989 -0.276) 4.080 2.374 ( 0.815 3.989 0.276) 4.080 2.469 ( -0.309 2.148 -1.786) 2.811 2.469 ( -0.309 2.148 1.786) 2.811 2.643 ( 0.625 0.525 -1.248) 1.491 2.643 ( 0.625 0.525 1.248) 1.491 2.715 ( -2.536 -1.925 -2.942) 4.335 2.715 ( -2.536 -1.925 2.942) 4.335 3.239 ( -1.300 7.116 -1.051) 7.310 3.239 ( -1.300 7.116 1.051) 7.310 3.422 ( -1.766 5.878 -2.127) 6.496 3.422 ( -1.766 5.878 2.127) 6.496 3.520 ( 5.285 7.540 -1.966) 9.415 3.520 ( 5.285 7.540 1.966) 9.415 3.701 ( -3.113 1.180 -1.402) 3.613 3.701 ( -3.113 1.180 1.402) 3.613 3.897 ( 3.834 -4.765 -10.806) 12.417 3.897 ( 3.834 -4.765 10.806) 12.417 4.001 ( -4.435 -6.132 -10.495) 12.939 4.001 ( -4.435 -6.132 10.495) 12.939 4.220 ( 4.589 -2.269 -3.043) 5.956 4.220 ( 4.589 -2.269 3.043) 5.956 4.513 ( -3.510 -5.628 -3.372) 7.441 4.513 ( -3.510 -5.628 3.372) 7.441 4.779 ( 4.035 6.529 -0.737) 7.711 4.779 ( 4.035 6.529 0.737) 7.711 4.960 ( -2.897 1.787 -0.458) 3.434 4.960 ( -2.897 1.787 0.458) 3.434 5.388 ( 2.593 12.914 -1.581) 13.267 5.388 ( 2.593 12.914 1.581) 13.267 5.484 ( -3.767 10.980 -2.090) 11.795 5.484 ( -3.767 10.980 2.090) 11.795 5.840 ( 1.708 13.072 -2.292) 13.381 5.840 ( 1.708 13.072 2.292) 13.381 5.860 ( -0.340 13.369 -1.562) 13.464 5.860 ( -0.340 13.369 1.562) 13.464 7.287 ( 0.539 -0.488 -0.881) 1.142 7.287 ( 0.539 -0.488 0.881) 1.142 7.377 ( -0.713 1.215 -0.847) 1.643 7.377 ( -0.713 1.215 0.847) 1.643 7.705 ( 0.831 -1.994 -0.784) 2.298 7.705 ( 0.831 -1.994 0.784) 2.298 7.910 ( 0.606 -8.292 -1.365) 8.426 7.910 ( 0.606 -8.292 1.365) 8.426 9.416 ( 0.938 9.953 -3.035) 10.448 9.416 ( 0.938 9.953 3.035) 10.448 9.582 ( -0.034 6.762 -4.313) 8.020 9.582 ( -0.034 6.762 4.313) 8.020 10.033 ( 13.234 -5.180 -3.824) 14.717 10.033 ( 13.234 -5.180 3.824) 14.717 10.110 ( 0.947 5.521 -1.970) 5.938 10.110 ( 0.947 5.521 1.970) 5.938 10.345 ( -11.504 -3.543 -6.609) 13.732 10.345 ( -11.504 -3.543 6.609) 13.732 10.673 ( 4.141 -6.336 -1.788) 7.777 10.673 ( 4.141 -6.336 1.788) 7.777 11.114 ( 1.462 5.960 -4.221) 7.448 11.114 ( 1.462 5.960 4.221) 7.448 11.262 ( -7.143 12.021 -2.651) 14.232 11.262 ( -7.143 12.021 2.651) 14.232 11.736 ( -1.621 4.026 -10.325) 11.200 11.736 ( -1.621 4.026 10.325) 11.200 11.785 ( -4.925 -0.683 -9.711) 10.910 11.785 ( -4.925 -0.683 9.711) 10.910 12.250 ( 1.270 0.526 -4.291) 4.505 12.250 ( 1.270 0.526 4.291) 4.505 12.425 ( 0.053 -1.501 -1.009) 1.809 12.425 ( 0.053 -1.501 1.009) 1.809 12.673 ( 1.198 -1.410 -3.870) 4.289 12.673 ( 1.198 -1.410 3.870) 4.289 13.088 ( 7.136 -2.891 -4.011) 8.681 13.088 ( 7.136 -2.891 4.011) 8.681 13.208 ( -1.029 -9.761 -3.416) 10.393 13.208 ( -1.029 -9.761 3.416) 10.393 13.269 ( -5.173 -1.722 -2.719) 6.092 13.269 ( -5.173 -1.722 2.719) 6.092 15.493 ( 0.043 -4.253 -1.588) 4.539 15.493 ( 0.043 -4.253 1.588) 4.539 15.647 ( -2.139 -8.299 -1.010) 8.630 15.647 ( -2.139 -8.299 1.010) 8.630 16.155 ( 3.470 -3.767 -2.319) 5.622 16.155 ( 3.470 -3.767 2.319) 5.622 16.272 ( -0.666 -5.140 -1.445) 5.381 16.272 ( -0.666 -5.140 1.445) 5.381 ======================= Grid point 220 (70/72) ======================= q-point: ( 0.00 0.47 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.378 ( 0.000 1.068 -0.563) 1.207 2.378 ( 0.000 1.068 0.563) 1.207 2.514 ( 0.000 0.509 -1.310) 1.405 2.514 ( 0.000 0.509 1.310) 1.405 2.706 ( 0.000 0.764 -1.456) 1.645 2.706 ( 0.000 0.764 1.456) 1.645 2.792 ( 0.000 0.571 -2.066) 2.144 2.792 ( 0.000 0.571 2.066) 2.144 3.375 ( 0.000 0.441 -1.528) 1.590 3.375 ( 0.000 0.441 1.528) 1.590 3.508 ( 0.000 0.876 -1.592) 1.817 3.508 ( 0.000 0.876 1.592) 1.817 3.539 ( 0.000 7.093 -3.584) 7.947 3.539 ( 0.000 7.093 3.584) 7.947 3.653 ( 0.000 -3.550 -2.405) 4.288 3.653 ( 0.000 -3.550 2.405) 4.288 3.789 ( 0.000 0.822 -1.661) 1.853 3.789 ( 0.000 0.822 1.661) 1.853 4.054 ( 0.000 -3.187 -0.129) 3.190 4.054 ( 0.000 -3.187 0.129) 3.190 4.072 ( 0.000 -0.503 -0.648) 0.821 4.072 ( 0.000 -0.503 0.648) 0.821 4.342 ( 0.000 -6.035 -1.332) 6.180 4.342 ( 0.000 -6.035 1.332) 6.180 4.803 ( 0.000 2.359 -0.466) 2.404 4.803 ( 0.000 2.359 0.466) 2.404 5.140 ( 0.000 2.751 -0.012) 2.751 5.140 ( 0.000 2.751 0.012) 2.751 5.568 ( 0.000 5.435 -0.157) 5.437 5.568 ( 0.000 5.435 0.157) 5.437 5.731 ( 0.000 3.787 -1.234) 3.983 5.731 ( 0.000 3.787 1.234) 3.983 5.935 ( 0.000 4.446 -0.105) 4.448 5.935 ( 0.000 4.446 0.105) 4.448 6.033 ( 0.000 4.531 -0.156) 4.534 6.033 ( 0.000 4.531 0.156) 4.534 7.088 ( 0.000 -5.617 -0.542) 5.643 7.088 ( 0.000 -5.617 0.542) 5.643 7.543 ( 0.000 7.163 -2.289) 7.520 7.543 ( 0.000 7.163 2.289) 7.520 7.680 ( 0.000 0.585 -0.273) 0.646 7.680 ( 0.000 0.585 0.273) 0.646 7.734 ( 0.000 -6.806 -3.380) 7.599 7.734 ( 0.000 -6.806 3.380) 7.599 9.454 ( 0.000 2.031 -0.622) 2.124 9.454 ( 0.000 2.031 0.622) 2.124 9.642 ( 0.000 2.448 -3.749) 4.478 9.642 ( 0.000 2.448 3.749) 4.478 9.761 ( 0.000 -0.173 -4.400) 4.404 9.761 ( 0.000 -0.173 4.400) 4.404 10.226 ( 0.000 4.448 -1.485) 4.690 10.226 ( 0.000 4.448 1.485) 4.690 10.382 ( 0.000 3.466 -1.967) 3.985 10.382 ( 0.000 3.466 1.967) 3.985 10.712 ( 0.000 -2.602 -3.857) 4.652 10.712 ( 0.000 -2.602 3.857) 4.652 11.220 ( 0.000 -0.332 -0.627) 0.709 11.220 ( 0.000 -0.332 0.627) 0.709 11.489 ( 0.000 3.222 -2.114) 3.853 11.489 ( 0.000 3.222 2.114) 3.853 11.761 ( 0.000 -1.637 -3.791) 4.130 11.761 ( 0.000 -1.637 3.791) 4.130 12.024 ( 0.000 0.391 -0.403) 0.562 12.024 ( 0.000 0.391 0.403) 0.562 12.243 ( 0.000 -2.241 -1.280) 2.581 12.243 ( 0.000 -2.241 1.280) 2.581 12.444 ( 0.000 -2.232 -0.100) 2.235 12.444 ( 0.000 -2.232 0.100) 2.235 12.463 ( 0.000 2.679 -1.760) 3.205 12.463 ( 0.000 2.679 1.760) 3.205 12.973 ( 0.000 2.076 -0.206) 2.086 12.973 ( 0.000 2.076 0.206) 2.086 13.074 ( 0.000 -4.982 -1.414) 5.179 13.074 ( 0.000 -4.982 1.414) 5.179 13.341 ( 0.000 -1.300 -1.088) 1.695 13.341 ( 0.000 -1.300 1.088) 1.695 15.507 ( 0.000 2.850 -4.331) 5.185 15.507 ( 0.000 2.850 4.331) 5.185 15.621 ( 0.000 -7.743 -1.593) 7.905 15.621 ( 0.000 -7.743 1.593) 7.905 15.880 ( 0.000 -1.559 -0.188) 1.571 15.880 ( 0.000 -1.559 0.188) 1.571 16.234 ( 0.000 -1.245 -0.006) 1.245 16.234 ( 0.000 -1.245 0.006) 1.245 ======================= Grid point 222 (71/72) ======================= q-point: ( 0.20 0.47 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.395 ( 1.614 1.134 -0.485) 2.032 2.395 ( 1.614 1.134 0.485) 2.032 2.508 ( -0.638 0.533 -1.283) 1.528 2.508 ( -0.638 0.533 1.283) 1.528 2.678 ( -2.237 0.543 -1.567) 2.785 2.678 ( -2.237 0.543 1.567) 2.785 2.752 ( -3.520 -0.230 -2.637) 4.404 2.752 ( -3.520 -0.230 2.637) 4.404 3.377 ( 0.253 2.648 -2.985) 3.998 3.377 ( 0.253 2.648 2.985) 3.998 3.516 ( 0.168 0.805 -1.506) 1.716 3.516 ( 0.168 0.805 1.506) 1.716 3.562 ( 2.457 6.391 -3.214) 7.564 3.562 ( 2.457 6.391 3.214) 7.564 3.714 ( 5.034 -3.561 -1.076) 6.259 3.714 ( 5.034 -3.561 1.076) 6.259 3.779 ( -0.865 3.021 -2.780) 4.195 3.779 ( -0.865 3.021 2.780) 4.195 3.932 ( -5.298 -8.003 -5.974) 11.305 3.932 ( -5.298 -8.003 5.974) 11.305 4.171 ( 3.504 4.236 -2.269) 5.947 4.171 ( 3.504 4.236 2.269) 5.947 4.356 ( 0.844 -8.613 -1.306) 8.752 4.356 ( 0.844 -8.613 1.306) 8.752 4.811 ( 1.426 2.577 -0.159) 2.949 4.811 ( 1.426 2.577 0.159) 2.949 5.106 ( -3.511 2.507 -0.124) 4.316 5.106 ( -3.511 2.507 0.124) 4.316 5.554 ( -0.726 5.107 -0.353) 5.171 5.554 ( -0.726 5.107 0.353) 5.171 5.703 ( -2.785 3.808 -0.922) 4.807 5.703 ( -2.785 3.808 0.922) 4.807 5.969 ( 2.870 4.582 -0.692) 5.450 5.969 ( 2.870 4.582 0.692) 5.450 6.039 ( 0.474 4.634 -0.162) 4.661 6.039 ( 0.474 4.634 0.162) 4.661 7.137 ( 4.781 -4.505 -0.308) 6.576 7.137 ( 4.781 -4.505 0.308) 6.576 7.507 ( -3.662 5.435 -2.073) 6.874 7.507 ( -3.662 5.435 2.073) 6.874 7.691 ( 0.766 0.742 -0.433) 1.151 7.691 ( 0.766 0.742 0.433) 1.151 7.746 ( 1.282 -6.067 -2.095) 6.545 7.746 ( 1.282 -6.067 2.095) 6.545 9.526 ( 6.318 4.766 -1.417) 8.040 9.526 ( 6.318 4.766 1.417) 8.040 9.653 ( 1.793 1.332 -2.553) 3.392 9.653 ( 1.793 1.332 2.553) 3.392 9.768 ( 0.944 -1.389 -4.267) 4.585 9.768 ( 0.944 -1.389 4.267) 4.585 10.256 ( 2.370 7.141 -1.459) 7.664 10.256 ( 2.370 7.141 1.459) 7.664 10.412 ( 2.579 0.081 -1.218) 2.853 10.412 ( 2.579 0.081 1.218) 2.853 10.584 ( -11.795 -5.683 -2.506) 13.330 10.584 ( -11.795 -5.683 2.506) 13.330 11.227 ( 1.061 3.877 -2.896) 4.954 11.227 ( 1.061 3.877 2.896) 4.954 11.494 ( -0.469 2.785 -2.103) 3.521 11.494 ( -0.469 2.785 2.103) 3.521 11.724 ( -2.881 -1.446 -3.434) 4.710 11.724 ( -2.881 -1.446 3.434) 4.710 11.936 ( -6.826 -1.306 -0.600) 6.975 11.936 ( -6.826 -1.306 0.600) 6.975 12.275 ( 1.554 -0.199 -2.075) 2.600 12.275 ( 1.554 -0.199 2.075) 2.600 12.390 ( -1.421 2.739 -8.246) 8.805 12.390 ( -1.421 2.739 8.246) 8.805 12.560 ( 5.914 -2.957 -11.150) 12.963 12.560 ( 5.914 -2.957 11.150) 12.963 12.986 ( -1.771 -1.232 -2.406) 3.231 12.986 ( -1.771 -1.232 2.406) 3.231 13.073 ( 2.567 -2.400 -1.743) 3.923 13.073 ( 2.567 -2.400 1.743) 3.923 13.321 ( -2.074 -0.895 -1.228) 2.571 13.321 ( -2.074 -0.895 1.228) 2.571 15.478 ( -2.216 1.164 -2.828) 3.777 15.478 ( -2.216 1.164 2.828) 3.777 15.573 ( -3.550 -5.706 -1.487) 6.883 15.573 ( -3.550 -5.706 1.487) 6.883 15.970 ( 7.165 -1.936 -1.379) 7.549 15.970 ( 7.165 -1.936 1.379) 7.549 16.231 ( -0.584 -1.315 -0.431) 1.502 16.231 ( -0.584 -1.315 0.431) 1.502 ======================= Grid point 224 (72/72) ======================= q-point: ( 0.40 0.47 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.433 ( 1.826 1.823 -0.425) 2.615 2.433 ( 1.826 1.823 0.425) 2.615 2.487 ( -1.349 -0.083 -0.971) 1.664 2.487 ( -1.349 -0.083 0.971) 1.664 2.649 ( -0.258 0.148 -1.146) 1.184 2.649 ( -0.258 0.148 1.146) 1.184 2.683 ( -2.753 -0.980 -1.739) 3.400 2.683 ( -2.753 -0.980 1.739) 3.400 3.382 ( 0.180 7.007 -2.223) 7.353 3.382 ( 0.180 7.007 2.223) 7.353 3.507 ( -0.619 -0.722 -0.693) 1.177 3.507 ( -0.619 -0.722 0.693) 1.177 3.626 ( 3.264 2.903 -2.189) 4.886 3.626 ( 3.264 2.903 2.189) 4.886 3.728 ( -2.911 3.743 -1.762) 5.059 3.728 ( -2.911 3.743 1.762) 5.059 3.801 ( 1.915 -3.356 -1.938) 4.322 3.801 ( 1.915 -3.356 1.938) 4.322 3.897 ( 0.950 -5.426 -3.569) 6.564 3.897 ( 0.950 -5.426 3.569) 6.564 4.210 ( 1.077 3.393 -1.059) 3.714 4.210 ( 1.077 3.393 1.059) 3.714 4.349 ( -1.288 -8.918 -1.554) 9.144 4.349 ( -1.288 -8.918 1.554) 9.144 4.879 ( 5.318 2.753 -0.295) 5.996 4.879 ( 5.318 2.753 0.295) 5.996 5.008 ( -6.040 1.726 -0.272) 6.288 5.008 ( -6.040 1.726 0.272) 6.288 5.566 ( 2.144 4.677 -0.521) 5.171 5.566 ( 2.144 4.677 0.521) 5.171 5.634 ( -3.818 3.820 -0.705) 5.447 5.634 ( -3.818 3.820 0.705) 5.447 6.022 ( 2.044 4.777 -0.847) 5.265 6.022 ( 2.044 4.777 0.847) 5.265 6.044 ( -0.224 4.769 -0.573) 4.808 6.044 ( -0.224 4.769 0.573) 4.808 7.258 ( 6.877 -1.347 -0.286) 7.014 7.258 ( 6.877 -1.347 0.286) 7.014 7.405 ( -6.352 1.097 -1.149) 6.547 7.405 ( -6.352 1.097 1.149) 6.547 7.704 ( 0.434 1.628 -0.261) 1.705 7.704 ( 0.434 1.628 0.261) 1.705 7.772 ( 0.915 -5.307 -0.536) 5.412 7.772 ( 0.915 -5.307 0.536) 5.412 9.612 ( 1.934 8.807 -2.871) 9.463 9.612 ( 1.934 8.807 2.871) 9.463 9.694 ( 0.156 2.829 -3.172) 4.253 9.694 ( 0.156 2.829 3.172) 4.253 9.894 ( 14.159 -6.052 -1.670) 15.489 9.894 ( 14.159 -6.052 1.670) 15.489 10.229 ( -16.213 -2.264 -2.491) 16.559 10.229 ( -16.213 -2.264 2.491) 16.559 10.307 ( -0.679 8.297 -1.860) 8.531 10.307 ( -0.679 8.297 1.860) 8.531 10.513 ( 2.743 -9.648 -0.711) 10.055 10.513 ( 2.743 -9.648 0.711) 10.055 11.257 ( 1.345 9.209 -1.680) 9.457 11.257 ( 1.345 9.209 1.680) 9.457 11.457 ( -2.249 -0.010 -1.172) 2.536 11.457 ( -2.249 -0.010 1.172) 2.536 11.681 ( -1.286 2.391 -1.146) 2.947 11.681 ( -1.286 2.391 1.146) 2.947 11.827 ( -3.154 -2.736 -0.346) 4.189 11.827 ( -3.154 -2.736 0.346) 4.189 12.287 ( 0.104 3.622 -2.908) 4.646 12.287 ( 0.104 3.622 2.908) 4.646 12.381 ( -0.010 -2.801 -1.200) 3.047 12.381 ( -0.010 -2.801 1.200) 3.047 12.676 ( 4.950 1.961 -4.219) 6.793 12.676 ( 4.950 1.961 4.219) 6.793 12.903 ( -4.511 -9.093 -1.816) 10.312 12.903 ( -4.511 -9.093 1.816) 10.312 13.167 ( 5.396 0.569 -0.982) 5.514 13.167 ( 5.396 0.569 0.982) 5.514 13.261 ( -3.990 0.009 -1.237) 4.177 13.261 ( -3.990 0.009 1.237) 4.177 15.450 ( -0.424 -0.002 -0.823) 0.926 15.450 ( -0.424 -0.002 0.823) 0.926 15.512 ( -2.178 -4.800 -0.405) 5.287 15.512 ( -2.178 -4.800 0.405) 5.287 16.105 ( 5.807 -1.229 -1.082) 6.033 16.105 ( 5.807 -1.229 1.082) 6.033 16.200 ( -2.674 -1.911 -0.738) 3.368 16.200 ( -2.674 -1.911 0.738) 3.368 =================== 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 3/25200 10.0 5149.975 5058.903 3730.745 0.000 0.000 0.000 3/25200 20.0 721.352 939.243 611.024 0.000 0.000 0.000 3/25200 30.0 234.707 366.936 199.506 0.000 0.000 0.000 3/25200 40.0 119.664 215.742 103.664 0.000 0.000 0.000 3/25200 50.0 76.032 150.769 67.143 0.000 0.000 0.000 3/25200 60.0 54.078 113.599 48.478 0.000 0.000 0.000 3/25200 70.0 41.020 89.084 37.183 0.000 0.000 0.000 3/25200 80.0 32.455 71.799 29.657 0.000 0.000 0.000 3/25200 90.0 26.487 59.173 24.342 0.000 0.000 0.000 3/25200 100.0 22.154 49.727 20.440 0.000 0.000 0.000 3/25200 110.0 18.909 42.519 17.491 0.000 0.000 0.000 3/25200 120.0 16.414 36.917 15.209 0.000 0.000 0.000 3/25200 130.0 14.455 32.487 13.407 0.000 0.000 0.000 3/25200 140.0 12.887 28.929 11.958 0.000 0.000 0.000 3/25200 150.0 11.610 26.026 10.775 0.000 0.000 0.000 3/25200 160.0 10.555 23.627 9.795 0.000 0.000 0.000 3/25200 170.0 9.671 21.617 8.973 0.000 0.000 0.000 3/25200 180.0 8.921 19.915 8.275 0.000 0.000 0.000 3/25200 190.0 8.279 18.458 7.676 0.000 0.000 0.000 3/25200 200.0 7.723 17.198 7.157 0.000 0.000 0.000 3/25200 210.0 7.237 16.100 6.705 0.000 0.000 0.000 3/25200 220.0 6.810 15.134 6.306 0.000 0.000 0.000 3/25200 230.0 6.431 14.280 5.953 0.000 0.000 0.000 3/25200 240.0 6.092 13.519 5.637 0.000 0.000 0.000 3/25200 250.0 5.789 12.836 5.354 0.000 0.000 0.000 3/25200 260.0 5.515 12.221 5.099 0.000 0.000 0.000 3/25200 270.0 5.266 11.663 4.868 0.000 0.000 0.000 3/25200 280.0 5.040 11.156 4.657 0.000 0.000 0.000 3/25200 290.0 4.833 10.693 4.464 0.000 0.000 0.000 3/25200 300.0 4.642 10.267 4.287 0.000 0.000 0.000 3/25200 310.0 4.467 9.876 4.124 0.000 0.000 0.000 3/25200 320.0 4.305 9.514 3.973 0.000 0.000 0.000 3/25200 330.0 4.154 9.178 3.834 0.000 0.000 0.000 3/25200 340.0 4.014 8.866 3.704 0.000 0.000 0.000 3/25200 350.0 3.884 8.576 3.582 0.000 0.000 0.000 3/25200 360.0 3.762 8.304 3.469 0.000 0.000 0.000 3/25200 370.0 3.648 8.050 3.363 0.000 0.000 0.000 3/25200 380.0 3.540 7.811 3.263 0.000 0.000 0.000 3/25200 390.0 3.439 7.587 3.170 0.000 0.000 0.000 3/25200 400.0 3.344 7.375 3.082 0.000 0.000 0.000 3/25200 410.0 3.254 7.176 2.998 0.000 0.000 0.000 3/25200 420.0 3.169 6.987 2.919 0.000 0.000 0.000 3/25200 430.0 3.088 6.808 2.845 0.000 0.000 0.000 3/25200 440.0 3.012 6.639 2.774 0.000 0.000 0.000 3/25200 450.0 2.939 6.477 2.707 0.000 0.000 0.000 3/25200 460.0 2.870 6.324 2.643 0.000 0.000 0.000 3/25200 470.0 2.804 6.178 2.582 0.000 0.000 0.000 3/25200 480.0 2.741 6.039 2.523 0.000 0.000 0.000 3/25200 490.0 2.681 5.906 2.468 0.000 0.000 0.000 3/25200 500.0 2.623 5.779 2.415 0.000 0.000 0.000 3/25200 510.0 2.568 5.658 2.364 0.000 0.000 0.000 3/25200 520.0 2.516 5.541 2.315 0.000 0.000 0.000 3/25200 530.0 2.465 5.430 2.269 0.000 0.000 0.000 3/25200 540.0 2.417 5.323 2.224 0.000 0.000 0.000 3/25200 550.0 2.370 5.220 2.181 0.000 0.000 0.000 3/25200 560.0 2.326 5.121 2.140 0.000 0.000 0.000 3/25200 570.0 2.283 5.026 2.100 0.000 0.000 0.000 3/25200 580.0 2.241 4.934 2.062 0.000 0.000 0.000 3/25200 590.0 2.201 4.846 2.025 0.000 0.000 0.000 3/25200 600.0 2.163 4.761 1.989 0.000 0.000 0.000 3/25200 610.0 2.125 4.679 1.955 0.000 0.000 0.000 3/25200 620.0 2.090 4.600 1.922 0.000 0.000 0.000 3/25200 630.0 2.055 4.523 1.890 0.000 0.000 0.000 3/25200 640.0 2.021 4.449 1.859 0.000 0.000 0.000 3/25200 650.0 1.989 4.378 1.829 0.000 0.000 0.000 3/25200 660.0 1.958 4.309 1.800 0.000 0.000 0.000 3/25200 670.0 1.927 4.241 1.772 0.000 0.000 0.000 3/25200 680.0 1.898 4.177 1.745 0.000 0.000 0.000 3/25200 690.0 1.869 4.114 1.719 0.000 0.000 0.000 3/25200 700.0 1.841 4.053 1.693 0.000 0.000 0.000 3/25200 710.0 1.815 3.993 1.668 0.000 0.000 0.000 3/25200 720.0 1.789 3.936 1.644 0.000 0.000 0.000 3/25200 730.0 1.763 3.880 1.621 0.000 0.000 0.000 3/25200 740.0 1.739 3.826 1.598 0.000 0.000 0.000 3/25200 750.0 1.715 3.773 1.576 0.000 0.000 0.000 3/25200 760.0 1.691 3.722 1.555 0.000 0.000 0.000 3/25200 770.0 1.669 3.672 1.534 0.000 0.000 0.000 3/25200 780.0 1.647 3.623 1.514 0.000 0.000 0.000 3/25200 790.0 1.625 3.576 1.494 0.000 0.000 0.000 3/25200 800.0 1.604 3.530 1.475 0.000 0.000 0.000 3/25200 810.0 1.584 3.485 1.456 0.000 0.000 0.000 3/25200 820.0 1.564 3.441 1.438 0.000 0.000 0.000 3/25200 830.0 1.545 3.399 1.420 0.000 0.000 0.000 3/25200 840.0 1.526 3.357 1.403 0.000 0.000 0.000 3/25200 850.0 1.508 3.317 1.386 0.000 0.000 0.000 3/25200 860.0 1.490 3.277 1.369 0.000 0.000 0.000 3/25200 870.0 1.472 3.238 1.353 0.000 0.000 0.000 3/25200 880.0 1.455 3.201 1.337 0.000 0.000 0.000 3/25200 890.0 1.438 3.164 1.322 0.000 0.000 0.000 3/25200 900.0 1.422 3.128 1.307 0.000 0.000 0.000 3/25200 910.0 1.406 3.093 1.292 0.000 0.000 0.000 3/25200 920.0 1.390 3.058 1.278 0.000 0.000 0.000 3/25200 930.0 1.375 3.025 1.264 0.000 0.000 0.000 3/25200 940.0 1.360 2.992 1.250 0.000 0.000 0.000 3/25200 950.0 1.346 2.960 1.237 0.000 0.000 0.000 3/25200 960.0 1.331 2.928 1.223 0.000 0.000 0.000 3/25200 970.0 1.317 2.897 1.210 0.000 0.000 0.000 3/25200 980.0 1.304 2.867 1.198 0.000 0.000 0.000 3/25200 990.0 1.290 2.838 1.186 0.000 0.000 0.000 3/25200 1000.0 1.277 2.809 1.173 0.000 0.000 0.000 3/25200 Thermal conductivity related properties were written into "kappa-m5154.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 22:45:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|