----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 21:15:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.482949890000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.420475730000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.324743560000002 Atomic positions (fractional): *1 Cs 0.15498169299701 0.75000000000000 0.90865105406193 132.905 2 Cs 0.65498169299701 0.75000000000000 0.59134894593807 132.905 3 Cs 0.84501830700299 0.25000000000000 0.09134894593807 132.905 4 Cs 0.34501830700299 0.25000000000000 0.40865105406193 132.905 *5 Cs 0.48576877093630 0.75000000000000 0.19289582604774 132.905 6 Cs 0.98576877093630 0.75000000000000 0.30710417395226 132.905 7 Cs 0.51423122906370 0.25000000000000 0.80710417395226 132.905 8 Cs 0.01423122906370 0.25000000000000 0.69289582604774 132.905 *9 Mg 0.73327307055342 0.75000000000000 0.91873995124815 24.305 10 Mg 0.23327307055342 0.75000000000000 0.58126004875185 24.305 11 Mg 0.26672692944658 0.25000000000000 0.08126004875185 24.305 12 Mg 0.76672692944658 0.25000000000000 0.41873995124815 24.305 *13 H 0.51529224788325 0.75000000000000 0.90764050345187 1.008 14 H 0.01529224788325 0.75000000000000 0.59235949654813 1.008 15 H 0.48470775211675 0.25000000000000 0.09235949654813 1.008 16 H 0.98470775211675 0.25000000000000 0.40764050345187 1.008 *17 H 0.80953255661435 0.75000000000000 0.07278795577732 1.008 18 H 0.30953255661435 0.75000000000000 0.42721204422268 1.008 19 H 0.19046744338565 0.25000000000000 0.92721204422268 1.008 20 H 0.69046744338565 0.25000000000000 0.57278795577732 1.008 *21 H 0.81545821279827 0.51368298784841 0.84844675035504 1.008 22 H 0.31545821279827 0.98631701215159 0.65155324964496 1.008 23 H 0.18454178720173 0.01368298784841 0.15155324964496 1.008 24 H 0.68454178720173 0.48631701215159 0.34844675035504 1.008 25 H 0.18454178720173 0.48631701215159 0.15155324964496 1.008 26 H 0.68454178720173 0.01368298784841 0.34844675035504 1.008 27 H 0.81545821279827 0.98631701215159 0.84844675035504 1.008 28 H 0.31545821279827 0.51368298784841 0.65155324964496 1.008 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.482949890000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.420475730000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.324743560000002 Atomic positions (fractional): *1 Cs 0.15498169299701 0.75000000000000 0.90865105406193 132.905 > 1 2 Cs 0.65498169299701 0.75000000000000 0.59134894593807 132.905 > 2 3 Cs 0.84501830700299 0.25000000000000 0.09134894593807 132.905 > 3 4 Cs 0.34501830700299 0.25000000000000 0.40865105406193 132.905 > 4 *5 Cs 0.48576877093630 0.75000000000000 0.19289582604774 132.905 > 5 6 Cs 0.98576877093630 0.75000000000000 0.30710417395226 132.905 > 6 7 Cs 0.51423122906370 0.25000000000000 0.80710417395226 132.905 > 7 8 Cs 0.01423122906370 0.25000000000000 0.69289582604774 132.905 > 8 *9 Mg 0.73327307055342 0.75000000000000 0.91873995124815 24.305 > 9 10 Mg 0.23327307055342 0.75000000000000 0.58126004875185 24.305 > 10 11 Mg 0.26672692944658 0.25000000000000 0.08126004875185 24.305 > 11 12 Mg 0.76672692944658 0.25000000000000 0.41873995124815 24.305 > 12 *13 H 0.51529224788325 0.75000000000000 0.90764050345187 1.008 > 13 14 H 0.01529224788325 0.75000000000000 0.59235949654813 1.008 > 14 15 H 0.48470775211675 0.25000000000000 0.09235949654813 1.008 > 15 16 H 0.98470775211675 0.25000000000000 0.40764050345187 1.008 > 16 *17 H 0.80953255661435 0.75000000000000 0.07278795577732 1.008 > 17 18 H 0.30953255661435 0.75000000000000 0.42721204422268 1.008 > 18 19 H 0.19046744338565 0.25000000000000 0.92721204422268 1.008 > 19 20 H 0.69046744338565 0.25000000000000 0.57278795577732 1.008 > 20 *21 H 0.81545821279827 0.51368298784841 0.84844675035504 1.008 > 21 22 H 0.31545821279827 0.98631701215159 0.65155324964496 1.008 > 22 23 H 0.18454178720173 0.01368298784841 0.15155324964496 1.008 > 23 24 H 0.68454178720173 0.48631701215159 0.34844675035504 1.008 > 24 25 H 0.18454178720173 0.48631701215159 0.15155324964496 1.008 > 25 26 H 0.68454178720173 0.01368298784841 0.34844675035504 1.008 > 26 27 H 0.81545821279827 0.98631701215159 0.84844675035504 1.008 > 27 28 H 0.31545821279827 0.51368298784841 0.65155324964496 1.008 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.965899780000001 0.000000000000000 0.000000000000000 b 0.000000000000000 12.840951460000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.324743560000002 Atomic positions (fractional): *1 Cs 0.07749084649851 0.37500000000000 0.90865105406193 132.905 > 1 2 Cs 0.57749084649851 0.37500000000000 0.90865105406193 132.905 > 1 3 Cs 0.07749084649851 0.87500000000000 0.90865105406193 132.905 > 1 4 Cs 0.57749084649851 0.87500000000000 0.90865105406193 132.905 > 1 5 Cs 0.32749084649851 0.37500000000000 0.59134894593807 132.905 > 2 6 Cs 0.82749084649851 0.37500000000000 0.59134894593807 132.905 > 2 7 Cs 0.32749084649851 0.87500000000000 0.59134894593807 132.905 > 2 8 Cs 0.82749084649851 0.87500000000000 0.59134894593807 132.905 > 2 9 Cs 0.42250915350149 0.12500000000000 0.09134894593807 132.905 > 3 10 Cs 0.92250915350149 0.12500000000000 0.09134894593807 132.905 > 3 11 Cs 0.42250915350149 0.62500000000000 0.09134894593807 132.905 > 3 12 Cs 0.92250915350149 0.62500000000000 0.09134894593807 132.905 > 3 13 Cs 0.17250915350149 0.12500000000000 0.40865105406193 132.905 > 4 14 Cs 0.67250915350149 0.12500000000000 0.40865105406193 132.905 > 4 15 Cs 0.17250915350149 0.62500000000000 0.40865105406193 132.905 > 4 16 Cs 0.67250915350149 0.62500000000000 0.40865105406193 132.905 > 4 *17 Cs 0.24288438546815 0.37500000000000 0.19289582604774 132.905 > 5 18 Cs 0.74288438546815 0.37500000000000 0.19289582604774 132.905 > 5 19 Cs 0.24288438546815 0.87500000000000 0.19289582604774 132.905 > 5 20 Cs 0.74288438546815 0.87500000000000 0.19289582604774 132.905 > 5 21 Cs 0.49288438546815 0.37500000000000 0.30710417395226 132.905 > 6 22 Cs 0.99288438546815 0.37500000000000 0.30710417395226 132.905 > 6 23 Cs 0.49288438546815 0.87500000000000 0.30710417395226 132.905 > 6 24 Cs 0.99288438546815 0.87500000000000 0.30710417395226 132.905 > 6 25 Cs 0.25711561453185 0.12500000000000 0.80710417395226 132.905 > 7 26 Cs 0.75711561453185 0.12500000000000 0.80710417395226 132.905 > 7 27 Cs 0.25711561453185 0.62500000000000 0.80710417395226 132.905 > 7 28 Cs 0.75711561453185 0.62500000000000 0.80710417395226 132.905 > 7 29 Cs 0.00711561453185 0.12500000000000 0.69289582604774 132.905 > 8 30 Cs 0.50711561453185 0.12500000000000 0.69289582604774 132.905 > 8 31 Cs 0.00711561453185 0.62500000000000 0.69289582604774 132.905 > 8 32 Cs 0.50711561453185 0.62500000000000 0.69289582604774 132.905 > 8 *33 Mg 0.36663653527671 0.37500000000000 0.91873995124815 24.305 > 9 34 Mg 0.86663653527671 0.37500000000000 0.91873995124815 24.305 > 9 35 Mg 0.36663653527671 0.87500000000000 0.91873995124815 24.305 > 9 36 Mg 0.86663653527671 0.87500000000000 0.91873995124815 24.305 > 9 37 Mg 0.11663653527671 0.37500000000000 0.58126004875185 24.305 > 10 38 Mg 0.61663653527671 0.37500000000000 0.58126004875185 24.305 > 10 39 Mg 0.11663653527671 0.87500000000000 0.58126004875185 24.305 > 10 40 Mg 0.61663653527671 0.87500000000000 0.58126004875185 24.305 > 10 41 Mg 0.13336346472329 0.12500000000000 0.08126004875185 24.305 > 11 42 Mg 0.63336346472329 0.12500000000000 0.08126004875185 24.305 > 11 43 Mg 0.13336346472329 0.62500000000000 0.08126004875185 24.305 > 11 44 Mg 0.63336346472329 0.62500000000000 0.08126004875185 24.305 > 11 45 Mg 0.38336346472329 0.12500000000000 0.41873995124815 24.305 > 12 46 Mg 0.88336346472329 0.12500000000000 0.41873995124815 24.305 > 12 47 Mg 0.38336346472329 0.62500000000000 0.41873995124815 24.305 > 12 48 Mg 0.88336346472329 0.62500000000000 0.41873995124815 24.305 > 12 *49 H 0.25764612394163 0.37500000000000 0.90764050345187 1.008 > 13 50 H 0.75764612394163 0.37500000000000 0.90764050345187 1.008 > 13 51 H 0.25764612394163 0.87500000000000 0.90764050345187 1.008 > 13 52 H 0.75764612394163 0.87500000000000 0.90764050345187 1.008 > 13 53 H 0.00764612394163 0.37500000000000 0.59235949654813 1.008 > 14 54 H 0.50764612394163 0.37500000000000 0.59235949654813 1.008 > 14 55 H 0.00764612394163 0.87500000000000 0.59235949654813 1.008 > 14 56 H 0.50764612394163 0.87500000000000 0.59235949654813 1.008 > 14 57 H 0.24235387605837 0.12500000000000 0.09235949654813 1.008 > 15 58 H 0.74235387605837 0.12500000000000 0.09235949654813 1.008 > 15 59 H 0.24235387605837 0.62500000000000 0.09235949654813 1.008 > 15 60 H 0.74235387605837 0.62500000000000 0.09235949654813 1.008 > 15 61 H 0.49235387605837 0.12500000000000 0.40764050345187 1.008 > 16 62 H 0.99235387605837 0.12500000000000 0.40764050345187 1.008 > 16 63 H 0.49235387605837 0.62500000000000 0.40764050345187 1.008 > 16 64 H 0.99235387605837 0.62500000000000 0.40764050345187 1.008 > 16 *65 H 0.40476627830717 0.37500000000000 0.07278795577732 1.008 > 17 66 H 0.90476627830717 0.37500000000000 0.07278795577732 1.008 > 17 67 H 0.40476627830717 0.87500000000000 0.07278795577732 1.008 > 17 68 H 0.90476627830717 0.87500000000000 0.07278795577732 1.008 > 17 69 H 0.15476627830717 0.37500000000000 0.42721204422268 1.008 > 18 70 H 0.65476627830717 0.37500000000000 0.42721204422268 1.008 > 18 71 H 0.15476627830717 0.87500000000000 0.42721204422268 1.008 > 18 72 H 0.65476627830717 0.87500000000000 0.42721204422268 1.008 > 18 73 H 0.09523372169283 0.12500000000000 0.92721204422268 1.008 > 19 74 H 0.59523372169283 0.12500000000000 0.92721204422268 1.008 > 19 75 H 0.09523372169283 0.62500000000000 0.92721204422268 1.008 > 19 76 H 0.59523372169283 0.62500000000000 0.92721204422268 1.008 > 19 77 H 0.34523372169283 0.12500000000000 0.57278795577732 1.008 > 20 78 H 0.84523372169283 0.12500000000000 0.57278795577732 1.008 > 20 79 H 0.34523372169283 0.62500000000000 0.57278795577732 1.008 > 20 80 H 0.84523372169283 0.62500000000000 0.57278795577732 1.008 > 20 *81 H 0.40772910639913 0.25684149392420 0.84844675035504 1.008 > 21 82 H 0.90772910639913 0.25684149392420 0.84844675035504 1.008 > 21 83 H 0.40772910639913 0.75684149392420 0.84844675035504 1.008 > 21 84 H 0.90772910639913 0.75684149392420 0.84844675035504 1.008 > 21 85 H 0.15772910639913 0.49315850607580 0.65155324964496 1.008 > 22 86 H 0.65772910639913 0.49315850607580 0.65155324964496 1.008 > 22 87 H 0.15772910639913 0.99315850607580 0.65155324964496 1.008 > 22 88 H 0.65772910639913 0.99315850607580 0.65155324964496 1.008 > 22 89 H 0.09227089360087 0.00684149392420 0.15155324964496 1.008 > 23 90 H 0.59227089360087 0.00684149392420 0.15155324964496 1.008 > 23 91 H 0.09227089360087 0.50684149392420 0.15155324964496 1.008 > 23 92 H 0.59227089360087 0.50684149392420 0.15155324964496 1.008 > 23 93 H 0.34227089360087 0.24315850607580 0.34844675035504 1.008 > 24 94 H 0.84227089360087 0.24315850607580 0.34844675035504 1.008 > 24 95 H 0.34227089360087 0.74315850607580 0.34844675035504 1.008 > 24 96 H 0.84227089360087 0.74315850607580 0.34844675035504 1.008 > 24 97 H 0.09227089360087 0.24315850607580 0.15155324964496 1.008 > 25 98 H 0.59227089360087 0.24315850607580 0.15155324964496 1.008 > 25 99 H 0.09227089360087 0.74315850607580 0.15155324964496 1.008 > 25 100 H 0.59227089360087 0.74315850607580 0.15155324964496 1.008 > 25 101 H 0.34227089360087 0.00684149392420 0.34844675035504 1.008 > 26 102 H 0.84227089360087 0.00684149392420 0.34844675035504 1.008 > 26 103 H 0.34227089360087 0.50684149392420 0.34844675035504 1.008 > 26 104 H 0.84227089360087 0.50684149392420 0.34844675035504 1.008 > 26 105 H 0.40772910639913 0.49315850607580 0.84844675035504 1.008 > 27 106 H 0.90772910639913 0.49315850607580 0.84844675035504 1.008 > 27 107 H 0.40772910639913 0.99315850607580 0.84844675035504 1.008 > 27 108 H 0.90772910639913 0.99315850607580 0.84844675035504 1.008 > 27 109 H 0.15772910639913 0.25684149392420 0.65155324964496 1.008 > 28 110 H 0.65772910639913 0.25684149392420 0.65155324964496 1.008 > 28 111 H 0.15772910639913 0.75684149392420 0.65155324964496 1.008 > 28 112 H 0.65772910639913 0.75684149392420 0.65155324964496 1.008 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3275660 0.0000000 0.0000000 0.0000000 3.2071646 0.0000000 0.0000000 0.0000000 3.2203295 -------------------------- Born effective charges -------------------------- 1 Cs 1.1931799 0.0000000 -0.0089757 0.0000000 1.1983394 0.0000000 -0.0119551 0.0000000 1.1949442 2 Cs 1.1931799 0.0000000 0.0089757 0.0000000 1.1983394 0.0000000 0.0119551 0.0000000 1.1949442 3 Cs 1.1931799 0.0000000 -0.0089757 0.0000000 1.1983394 0.0000000 -0.0119551 0.0000000 1.1949442 4 Cs 1.1931799 0.0000000 0.0089757 0.0000000 1.1983394 0.0000000 0.0119551 0.0000000 1.1949442 5 Cs 1.1459087 0.0000000 0.0193493 0.0000000 1.1192479 0.0000000 0.0168636 0.0000000 1.1110108 6 Cs 1.1459087 0.0000000 -0.0193493 0.0000000 1.1192479 0.0000000 -0.0168636 0.0000000 1.1110108 7 Cs 1.1459087 0.0000000 0.0193493 0.0000000 1.1192479 0.0000000 0.0168636 0.0000000 1.1110108 8 Cs 1.1459087 0.0000000 -0.0193493 0.0000000 1.1192479 0.0000000 -0.0168636 0.0000000 1.1110108 9 Mg 1.3504843 0.0000000 0.0096218 0.0000000 1.2712174 0.0000000 0.0073436 0.0000000 1.2543941 10 Mg 1.3504843 0.0000000 -0.0096218 0.0000000 1.2712174 0.0000000 -0.0073436 0.0000000 1.2543941 11 Mg 1.3504843 0.0000000 0.0096218 0.0000000 1.2712174 0.0000000 0.0073436 0.0000000 1.2543941 12 Mg 1.3504843 0.0000000 -0.0096218 0.0000000 1.2712174 0.0000000 -0.0073436 0.0000000 1.2543941 13 H -1.0485919 0.0000000 0.0323317 0.0000000 -0.8443931 0.0000000 0.0105701 0.0000000 -0.8557104 14 H -1.0485919 0.0000000 -0.0323317 0.0000000 -0.8443931 0.0000000 -0.0105701 0.0000000 -0.8557104 15 H -1.0485919 0.0000000 0.0323317 0.0000000 -0.8443931 0.0000000 0.0105701 0.0000000 -0.8557104 16 H -1.0485919 0.0000000 -0.0323317 0.0000000 -0.8443931 0.0000000 -0.0105701 0.0000000 -0.8557104 17 H -0.8565123 0.0000000 -0.0376695 0.0000000 -0.8553572 0.0000000 -0.0287179 0.0000000 -0.9903384 18 H -0.8565123 0.0000000 0.0376695 0.0000000 -0.8553572 0.0000000 0.0287179 0.0000000 -0.9903384 19 H -0.8565123 0.0000000 -0.0376695 0.0000000 -0.8553572 0.0000000 -0.0287179 0.0000000 -0.9903384 20 H -0.8565123 0.0000000 0.0376695 0.0000000 -0.8553572 0.0000000 0.0287179 0.0000000 -0.9903384 21 H -0.8922343 0.0254445 0.0079108 0.0373431 -0.9445272 -0.0635257 -0.0062340 -0.0661548 -0.8571502 22 H -0.8922343 -0.0254445 -0.0079108 -0.0373431 -0.9445272 -0.0635257 0.0062340 -0.0661548 -0.8571502 23 H -0.8922343 -0.0254445 0.0079108 -0.0373431 -0.9445272 0.0635257 -0.0062340 0.0661548 -0.8571502 24 H -0.8922343 0.0254445 -0.0079108 0.0373431 -0.9445272 0.0635257 0.0062340 0.0661548 -0.8571502 25 H -0.8922343 0.0254445 0.0079108 0.0373431 -0.9445272 -0.0635257 -0.0062340 -0.0661548 -0.8571502 26 H -0.8922343 -0.0254445 -0.0079108 -0.0373431 -0.9445272 -0.0635257 0.0062340 -0.0661548 -0.8571502 27 H -0.8922343 -0.0254445 0.0079108 -0.0373431 -0.9445272 0.0635257 -0.0062340 0.0661548 -0.8571502 28 H -0.8922343 0.0254445 -0.0079108 0.0373431 -0.9445272 0.0635257 0.0062340 0.0661548 -0.8571502 ---------------------------------------------------------------------------- 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: 1898 Number of blocks in projector: 1898 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: 492 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 292 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 292 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 274 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 274 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 274 Use standard eigh solver. Tree of FC basis block matrices: - (1898, 1864), data: False |-- (274, 268), data: True |-- (274, 268), data: True |-- (274, 268), data: True |-- (292, 290), data: True |-- (292, 290), data: True |-- (492, 480), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 3.004 Solver_block: 200 / 480 - Time: 2.998 Solver_block: 300 / 480 - Time: 2.995 Solver_block: 400 / 480 - Time: 3.000 Solver_block: 480 / 480 - Time: 2.428 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.476 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) 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: 1898 Number of blocks in projector: 1898 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: 492 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 292 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 292 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 274 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 274 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 274 Use standard eigh solver. Tree of FC basis block matrices: - (1898, 1864), data: False |-- (274, 268), data: True |-- (274, 268), data: True |-- (274, 268), data: True |-- (292, 290), data: True |-- (292, 290), data: True |-- (492, 480), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 21:15:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:15:39]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.482949890000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.420475730000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.324743560000002 Atomic positions (fractional): 1 Cs 0.15498169299701 0.75000000000000 0.90865105406193 132.905 2 Cs 0.65498169299701 0.75000000000000 0.59134894593807 132.905 3 Cs 0.84501830700299 0.25000000000000 0.09134894593807 132.905 4 Cs 0.34501830700299 0.25000000000000 0.40865105406193 132.905 5 Cs 0.48576877093630 0.75000000000000 0.19289582604774 132.905 6 Cs 0.98576877093630 0.75000000000000 0.30710417395226 132.905 7 Cs 0.51423122906370 0.25000000000000 0.80710417395226 132.905 8 Cs 0.01423122906370 0.25000000000000 0.69289582604774 132.905 9 Mg 0.73327307055342 0.75000000000000 0.91873995124815 24.305 10 Mg 0.23327307055342 0.75000000000000 0.58126004875185 24.305 11 Mg 0.26672692944658 0.25000000000000 0.08126004875185 24.305 12 Mg 0.76672692944658 0.25000000000000 0.41873995124815 24.305 13 H 0.51529224788325 0.75000000000000 0.90764050345187 1.008 14 H 0.01529224788325 0.75000000000000 0.59235949654813 1.008 15 H 0.48470775211675 0.25000000000000 0.09235949654813 1.008 16 H 0.98470775211675 0.25000000000000 0.40764050345187 1.008 17 H 0.80953255661435 0.75000000000000 0.07278795577732 1.008 18 H 0.30953255661435 0.75000000000000 0.42721204422268 1.008 19 H 0.19046744338565 0.25000000000000 0.92721204422268 1.008 20 H 0.69046744338565 0.25000000000000 0.57278795577732 1.008 21 H 0.81545821279827 0.51368298784841 0.84844675035504 1.008 22 H 0.31545821279827 0.98631701215159 0.65155324964496 1.008 23 H 0.18454178720173 0.01368298784841 0.15155324964496 1.008 24 H 0.68454178720173 0.48631701215159 0.34844675035504 1.008 25 H 0.18454178720173 0.48631701215159 0.15155324964496 1.008 26 H 0.68454178720173 0.01368298784841 0.34844675035504 1.008 27 H 0.81545821279827 0.98631701215159 0.84844675035504 1.008 28 H 0.31545821279827 0.51368298784841 0.65155324964496 1.008 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.965899780000001 0.000000000000000 0.000000000000000 b 0.000000000000000 12.840951460000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.324743560000002 Atomic positions (fractional): 1 Cs 0.07749084649851 0.37500000000000 0.90865105406193 132.905 > 1 2 Cs 0.57749084649851 0.37500000000000 0.90865105406193 132.905 > 1 3 Cs 0.07749084649851 0.87500000000000 0.90865105406193 132.905 > 1 4 Cs 0.57749084649851 0.87500000000000 0.90865105406193 132.905 > 1 5 Cs 0.32749084649851 0.37500000000000 0.59134894593807 132.905 > 5 6 Cs 0.82749084649851 0.37500000000000 0.59134894593807 132.905 > 5 7 Cs 0.32749084649851 0.87500000000000 0.59134894593807 132.905 > 5 8 Cs 0.82749084649851 0.87500000000000 0.59134894593807 132.905 > 5 9 Cs 0.42250915350149 0.12500000000000 0.09134894593807 132.905 > 9 10 Cs 0.92250915350149 0.12500000000000 0.09134894593807 132.905 > 9 11 Cs 0.42250915350149 0.62500000000000 0.09134894593807 132.905 > 9 12 Cs 0.92250915350149 0.62500000000000 0.09134894593807 132.905 > 9 13 Cs 0.17250915350149 0.12500000000000 0.40865105406193 132.905 > 13 14 Cs 0.67250915350149 0.12500000000000 0.40865105406193 132.905 > 13 15 Cs 0.17250915350149 0.62500000000000 0.40865105406193 132.905 > 13 16 Cs 0.67250915350149 0.62500000000000 0.40865105406193 132.905 > 13 17 Cs 0.24288438546815 0.37500000000000 0.19289582604774 132.905 > 17 18 Cs 0.74288438546815 0.37500000000000 0.19289582604774 132.905 > 17 19 Cs 0.24288438546815 0.87500000000000 0.19289582604774 132.905 > 17 20 Cs 0.74288438546815 0.87500000000000 0.19289582604774 132.905 > 17 21 Cs 0.49288438546815 0.37500000000000 0.30710417395226 132.905 > 21 22 Cs 0.99288438546815 0.37500000000000 0.30710417395226 132.905 > 21 23 Cs 0.49288438546815 0.87500000000000 0.30710417395226 132.905 > 21 24 Cs 0.99288438546815 0.87500000000000 0.30710417395226 132.905 > 21 25 Cs 0.25711561453185 0.12500000000000 0.80710417395226 132.905 > 25 26 Cs 0.75711561453185 0.12500000000000 0.80710417395226 132.905 > 25 27 Cs 0.25711561453185 0.62500000000000 0.80710417395226 132.905 > 25 28 Cs 0.75711561453185 0.62500000000000 0.80710417395226 132.905 > 25 29 Cs 0.00711561453185 0.12500000000000 0.69289582604774 132.905 > 29 30 Cs 0.50711561453185 0.12500000000000 0.69289582604774 132.905 > 29 31 Cs 0.00711561453185 0.62500000000000 0.69289582604774 132.905 > 29 32 Cs 0.50711561453185 0.62500000000000 0.69289582604774 132.905 > 29 33 Mg 0.36663653527671 0.37500000000000 0.91873995124815 24.305 > 33 34 Mg 0.86663653527671 0.37500000000000 0.91873995124815 24.305 > 33 35 Mg 0.36663653527671 0.87500000000000 0.91873995124815 24.305 > 33 36 Mg 0.86663653527671 0.87500000000000 0.91873995124815 24.305 > 33 37 Mg 0.11663653527671 0.37500000000000 0.58126004875185 24.305 > 37 38 Mg 0.61663653527671 0.37500000000000 0.58126004875185 24.305 > 37 39 Mg 0.11663653527671 0.87500000000000 0.58126004875185 24.305 > 37 40 Mg 0.61663653527671 0.87500000000000 0.58126004875185 24.305 > 37 41 Mg 0.13336346472329 0.12500000000000 0.08126004875185 24.305 > 41 42 Mg 0.63336346472329 0.12500000000000 0.08126004875185 24.305 > 41 43 Mg 0.13336346472329 0.62500000000000 0.08126004875185 24.305 > 41 44 Mg 0.63336346472329 0.62500000000000 0.08126004875185 24.305 > 41 45 Mg 0.38336346472329 0.12500000000000 0.41873995124815 24.305 > 45 46 Mg 0.88336346472329 0.12500000000000 0.41873995124815 24.305 > 45 47 Mg 0.38336346472329 0.62500000000000 0.41873995124815 24.305 > 45 48 Mg 0.88336346472329 0.62500000000000 0.41873995124815 24.305 > 45 49 H 0.25764612394163 0.37500000000000 0.90764050345187 1.008 > 49 50 H 0.75764612394163 0.37500000000000 0.90764050345187 1.008 > 49 51 H 0.25764612394163 0.87500000000000 0.90764050345187 1.008 > 49 52 H 0.75764612394163 0.87500000000000 0.90764050345187 1.008 > 49 53 H 0.00764612394163 0.37500000000000 0.59235949654813 1.008 > 53 54 H 0.50764612394163 0.37500000000000 0.59235949654813 1.008 > 53 55 H 0.00764612394163 0.87500000000000 0.59235949654813 1.008 > 53 56 H 0.50764612394163 0.87500000000000 0.59235949654813 1.008 > 53 57 H 0.24235387605837 0.12500000000000 0.09235949654813 1.008 > 57 58 H 0.74235387605837 0.12500000000000 0.09235949654813 1.008 > 57 59 H 0.24235387605837 0.62500000000000 0.09235949654813 1.008 > 57 60 H 0.74235387605837 0.62500000000000 0.09235949654813 1.008 > 57 61 H 0.49235387605837 0.12500000000000 0.40764050345187 1.008 > 61 62 H 0.99235387605837 0.12500000000000 0.40764050345187 1.008 > 61 63 H 0.49235387605837 0.62500000000000 0.40764050345187 1.008 > 61 64 H 0.99235387605837 0.62500000000000 0.40764050345187 1.008 > 61 65 H 0.40476627830717 0.37500000000000 0.07278795577732 1.008 > 65 66 H 0.90476627830717 0.37500000000000 0.07278795577732 1.008 > 65 67 H 0.40476627830717 0.87500000000000 0.07278795577732 1.008 > 65 68 H 0.90476627830717 0.87500000000000 0.07278795577732 1.008 > 65 69 H 0.15476627830717 0.37500000000000 0.42721204422268 1.008 > 69 70 H 0.65476627830717 0.37500000000000 0.42721204422268 1.008 > 69 71 H 0.15476627830717 0.87500000000000 0.42721204422268 1.008 > 69 72 H 0.65476627830717 0.87500000000000 0.42721204422268 1.008 > 69 73 H 0.09523372169283 0.12500000000000 0.92721204422268 1.008 > 73 74 H 0.59523372169283 0.12500000000000 0.92721204422268 1.008 > 73 75 H 0.09523372169283 0.62500000000000 0.92721204422268 1.008 > 73 76 H 0.59523372169283 0.62500000000000 0.92721204422268 1.008 > 73 77 H 0.34523372169283 0.12500000000000 0.57278795577732 1.008 > 77 78 H 0.84523372169283 0.12500000000000 0.57278795577732 1.008 > 77 79 H 0.34523372169283 0.62500000000000 0.57278795577732 1.008 > 77 80 H 0.84523372169283 0.62500000000000 0.57278795577732 1.008 > 77 81 H 0.40772910639913 0.25684149392420 0.84844675035504 1.008 > 81 82 H 0.90772910639913 0.25684149392420 0.84844675035504 1.008 > 81 83 H 0.40772910639913 0.75684149392420 0.84844675035504 1.008 > 81 84 H 0.90772910639913 0.75684149392420 0.84844675035504 1.008 > 81 85 H 0.15772910639913 0.49315850607580 0.65155324964496 1.008 > 85 86 H 0.65772910639913 0.49315850607580 0.65155324964496 1.008 > 85 87 H 0.15772910639913 0.99315850607580 0.65155324964496 1.008 > 85 88 H 0.65772910639913 0.99315850607580 0.65155324964496 1.008 > 85 89 H 0.09227089360087 0.00684149392420 0.15155324964496 1.008 > 89 90 H 0.59227089360087 0.00684149392420 0.15155324964496 1.008 > 89 91 H 0.09227089360087 0.50684149392420 0.15155324964496 1.008 > 89 92 H 0.59227089360087 0.50684149392420 0.15155324964496 1.008 > 89 93 H 0.34227089360087 0.24315850607580 0.34844675035504 1.008 > 93 94 H 0.84227089360087 0.24315850607580 0.34844675035504 1.008 > 93 95 H 0.34227089360087 0.74315850607580 0.34844675035504 1.008 > 93 96 H 0.84227089360087 0.74315850607580 0.34844675035504 1.008 > 93 97 H 0.09227089360087 0.24315850607580 0.15155324964496 1.008 > 97 98 H 0.59227089360087 0.24315850607580 0.15155324964496 1.008 > 97 99 H 0.09227089360087 0.74315850607580 0.15155324964496 1.008 > 97 100 H 0.59227089360087 0.74315850607580 0.15155324964496 1.008 > 97 101 H 0.34227089360087 0.00684149392420 0.34844675035504 1.008 > 101 102 H 0.84227089360087 0.00684149392420 0.34844675035504 1.008 > 101 103 H 0.34227089360087 0.50684149392420 0.34844675035504 1.008 > 101 104 H 0.84227089360087 0.50684149392420 0.34844675035504 1.008 > 101 105 H 0.40772910639913 0.49315850607580 0.84844675035504 1.008 > 105 106 H 0.90772910639913 0.49315850607580 0.84844675035504 1.008 > 105 107 H 0.40772910639913 0.99315850607580 0.84844675035504 1.008 > 105 108 H 0.90772910639913 0.99315850607580 0.84844675035504 1.008 > 105 109 H 0.15772910639913 0.25684149392420 0.65155324964496 1.008 > 109 110 H 0.65772910639913 0.25684149392420 0.65155324964496 1.008 > 109 111 H 0.15772910639913 0.75684149392420 0.65155324964496 1.008 > 109 112 H 0.65772910639913 0.75684149392420 0.65155324964496 1.008 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3275660 0.0000000 0.0000000 0.0000000 3.2071646 0.0000000 0.0000000 0.0000000 3.2203295 -------------------------- Born effective charges -------------------------- 1 Cs 1.1931799 0.0000000 -0.0089757 0.0000000 1.1983394 0.0000000 -0.0119551 0.0000000 1.1949442 2 Cs 1.1931799 0.0000000 0.0089757 0.0000000 1.1983394 0.0000000 0.0119551 0.0000000 1.1949442 3 Cs 1.1931799 0.0000000 -0.0089757 0.0000000 1.1983394 0.0000000 -0.0119551 0.0000000 1.1949442 4 Cs 1.1931799 0.0000000 0.0089757 0.0000000 1.1983394 0.0000000 0.0119551 0.0000000 1.1949442 5 Cs 1.1459087 0.0000000 0.0193493 0.0000000 1.1192479 0.0000000 0.0168636 0.0000000 1.1110108 6 Cs 1.1459087 0.0000000 -0.0193493 0.0000000 1.1192479 0.0000000 -0.0168636 0.0000000 1.1110108 7 Cs 1.1459087 0.0000000 0.0193493 0.0000000 1.1192479 0.0000000 0.0168636 0.0000000 1.1110108 8 Cs 1.1459087 0.0000000 -0.0193493 0.0000000 1.1192479 0.0000000 -0.0168636 0.0000000 1.1110108 9 Mg 1.3504843 0.0000000 0.0096218 0.0000000 1.2712174 0.0000000 0.0073436 0.0000000 1.2543941 10 Mg 1.3504843 0.0000000 -0.0096218 0.0000000 1.2712174 0.0000000 -0.0073436 0.0000000 1.2543941 11 Mg 1.3504843 0.0000000 0.0096218 0.0000000 1.2712174 0.0000000 0.0073436 0.0000000 1.2543941 12 Mg 1.3504843 0.0000000 -0.0096218 0.0000000 1.2712174 0.0000000 -0.0073436 0.0000000 1.2543941 13 H -1.0485919 0.0000000 0.0323317 0.0000000 -0.8443931 0.0000000 0.0105701 0.0000000 -0.8557104 14 H -1.0485919 0.0000000 -0.0323317 0.0000000 -0.8443931 0.0000000 -0.0105701 0.0000000 -0.8557104 15 H -1.0485919 0.0000000 0.0323317 0.0000000 -0.8443931 0.0000000 0.0105701 0.0000000 -0.8557104 16 H -1.0485919 0.0000000 -0.0323317 0.0000000 -0.8443931 0.0000000 -0.0105701 0.0000000 -0.8557104 17 H -0.8565123 0.0000000 -0.0376695 0.0000000 -0.8553572 0.0000000 -0.0287179 0.0000000 -0.9903384 18 H -0.8565123 0.0000000 0.0376695 0.0000000 -0.8553572 0.0000000 0.0287179 0.0000000 -0.9903384 19 H -0.8565123 0.0000000 -0.0376695 0.0000000 -0.8553572 0.0000000 -0.0287179 0.0000000 -0.9903384 20 H -0.8565123 0.0000000 0.0376695 0.0000000 -0.8553572 0.0000000 0.0287179 0.0000000 -0.9903384 21 H -0.8922343 0.0254445 0.0079108 0.0373431 -0.9445272 -0.0635257 -0.0062340 -0.0661548 -0.8571502 22 H -0.8922343 -0.0254445 -0.0079108 -0.0373431 -0.9445272 -0.0635257 0.0062340 -0.0661548 -0.8571502 23 H -0.8922343 -0.0254445 0.0079108 -0.0373431 -0.9445272 0.0635257 -0.0062340 0.0661548 -0.8571502 24 H -0.8922343 0.0254445 -0.0079108 0.0373431 -0.9445272 0.0635257 0.0062340 0.0661548 -0.8571502 25 H -0.8922343 0.0254445 0.0079108 0.0373431 -0.9445272 -0.0635257 -0.0062340 -0.0661548 -0.8571502 26 H -0.8922343 -0.0254445 -0.0079108 -0.0373431 -0.9445272 -0.0635257 0.0062340 -0.0661548 -0.8571502 27 H -0.8922343 -0.0254445 0.0079108 -0.0373431 -0.9445272 0.0635257 -0.0062340 0.0661548 -0.8571502 28 H -0.8922343 0.0254445 -0.0079108 0.0373431 -0.9445272 0.0635257 0.0062340 0.0661548 -0.8571502 ---------------------------------------------------------------------------- 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[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000003 (yzy) 0.00000003 (yzy) 0.00000003 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 21:16:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:16:02]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.482949890000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.420475730000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.324743560000002 Atomic positions (fractional): 1 Cs 0.15498169299701 0.75000000000000 0.90865105406193 132.905 2 Cs 0.65498169299701 0.75000000000000 0.59134894593807 132.905 3 Cs 0.84501830700299 0.25000000000000 0.09134894593807 132.905 4 Cs 0.34501830700299 0.25000000000000 0.40865105406193 132.905 5 Cs 0.48576877093630 0.75000000000000 0.19289582604774 132.905 6 Cs 0.98576877093630 0.75000000000000 0.30710417395226 132.905 7 Cs 0.51423122906370 0.25000000000000 0.80710417395226 132.905 8 Cs 0.01423122906370 0.25000000000000 0.69289582604774 132.905 9 Mg 0.73327307055342 0.75000000000000 0.91873995124815 24.305 10 Mg 0.23327307055342 0.75000000000000 0.58126004875185 24.305 11 Mg 0.26672692944658 0.25000000000000 0.08126004875185 24.305 12 Mg 0.76672692944658 0.25000000000000 0.41873995124815 24.305 13 H 0.51529224788325 0.75000000000000 0.90764050345187 1.008 14 H 0.01529224788325 0.75000000000000 0.59235949654813 1.008 15 H 0.48470775211675 0.25000000000000 0.09235949654813 1.008 16 H 0.98470775211675 0.25000000000000 0.40764050345187 1.008 17 H 0.80953255661435 0.75000000000000 0.07278795577732 1.008 18 H 0.30953255661435 0.75000000000000 0.42721204422268 1.008 19 H 0.19046744338565 0.25000000000000 0.92721204422268 1.008 20 H 0.69046744338565 0.25000000000000 0.57278795577732 1.008 21 H 0.81545821279827 0.51368298784841 0.84844675035504 1.008 22 H 0.31545821279827 0.98631701215159 0.65155324964496 1.008 23 H 0.18454178720173 0.01368298784841 0.15155324964496 1.008 24 H 0.68454178720173 0.48631701215159 0.34844675035504 1.008 25 H 0.18454178720173 0.48631701215159 0.15155324964496 1.008 26 H 0.68454178720173 0.01368298784841 0.34844675035504 1.008 27 H 0.81545821279827 0.98631701215159 0.84844675035504 1.008 28 H 0.31545821279827 0.51368298784841 0.65155324964496 1.008 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.965899780000001 0.000000000000000 0.000000000000000 b 0.000000000000000 12.840951460000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.324743560000002 Atomic positions (fractional): 1 Cs 0.07749084649851 0.37500000000000 0.90865105406193 132.905 > 1 2 Cs 0.57749084649851 0.37500000000000 0.90865105406193 132.905 > 1 3 Cs 0.07749084649851 0.87500000000000 0.90865105406193 132.905 > 1 4 Cs 0.57749084649851 0.87500000000000 0.90865105406193 132.905 > 1 5 Cs 0.32749084649851 0.37500000000000 0.59134894593807 132.905 > 5 6 Cs 0.82749084649851 0.37500000000000 0.59134894593807 132.905 > 5 7 Cs 0.32749084649851 0.87500000000000 0.59134894593807 132.905 > 5 8 Cs 0.82749084649851 0.87500000000000 0.59134894593807 132.905 > 5 9 Cs 0.42250915350149 0.12500000000000 0.09134894593807 132.905 > 9 10 Cs 0.92250915350149 0.12500000000000 0.09134894593807 132.905 > 9 11 Cs 0.42250915350149 0.62500000000000 0.09134894593807 132.905 > 9 12 Cs 0.92250915350149 0.62500000000000 0.09134894593807 132.905 > 9 13 Cs 0.17250915350149 0.12500000000000 0.40865105406193 132.905 > 13 14 Cs 0.67250915350149 0.12500000000000 0.40865105406193 132.905 > 13 15 Cs 0.17250915350149 0.62500000000000 0.40865105406193 132.905 > 13 16 Cs 0.67250915350149 0.62500000000000 0.40865105406193 132.905 > 13 17 Cs 0.24288438546815 0.37500000000000 0.19289582604774 132.905 > 17 18 Cs 0.74288438546815 0.37500000000000 0.19289582604774 132.905 > 17 19 Cs 0.24288438546815 0.87500000000000 0.19289582604774 132.905 > 17 20 Cs 0.74288438546815 0.87500000000000 0.19289582604774 132.905 > 17 21 Cs 0.49288438546815 0.37500000000000 0.30710417395226 132.905 > 21 22 Cs 0.99288438546815 0.37500000000000 0.30710417395226 132.905 > 21 23 Cs 0.49288438546815 0.87500000000000 0.30710417395226 132.905 > 21 24 Cs 0.99288438546815 0.87500000000000 0.30710417395226 132.905 > 21 25 Cs 0.25711561453185 0.12500000000000 0.80710417395226 132.905 > 25 26 Cs 0.75711561453185 0.12500000000000 0.80710417395226 132.905 > 25 27 Cs 0.25711561453185 0.62500000000000 0.80710417395226 132.905 > 25 28 Cs 0.75711561453185 0.62500000000000 0.80710417395226 132.905 > 25 29 Cs 0.00711561453185 0.12500000000000 0.69289582604774 132.905 > 29 30 Cs 0.50711561453185 0.12500000000000 0.69289582604774 132.905 > 29 31 Cs 0.00711561453185 0.62500000000000 0.69289582604774 132.905 > 29 32 Cs 0.50711561453185 0.62500000000000 0.69289582604774 132.905 > 29 33 Mg 0.36663653527671 0.37500000000000 0.91873995124815 24.305 > 33 34 Mg 0.86663653527671 0.37500000000000 0.91873995124815 24.305 > 33 35 Mg 0.36663653527671 0.87500000000000 0.91873995124815 24.305 > 33 36 Mg 0.86663653527671 0.87500000000000 0.91873995124815 24.305 > 33 37 Mg 0.11663653527671 0.37500000000000 0.58126004875185 24.305 > 37 38 Mg 0.61663653527671 0.37500000000000 0.58126004875185 24.305 > 37 39 Mg 0.11663653527671 0.87500000000000 0.58126004875185 24.305 > 37 40 Mg 0.61663653527671 0.87500000000000 0.58126004875185 24.305 > 37 41 Mg 0.13336346472329 0.12500000000000 0.08126004875185 24.305 > 41 42 Mg 0.63336346472329 0.12500000000000 0.08126004875185 24.305 > 41 43 Mg 0.13336346472329 0.62500000000000 0.08126004875185 24.305 > 41 44 Mg 0.63336346472329 0.62500000000000 0.08126004875185 24.305 > 41 45 Mg 0.38336346472329 0.12500000000000 0.41873995124815 24.305 > 45 46 Mg 0.88336346472329 0.12500000000000 0.41873995124815 24.305 > 45 47 Mg 0.38336346472329 0.62500000000000 0.41873995124815 24.305 > 45 48 Mg 0.88336346472329 0.62500000000000 0.41873995124815 24.305 > 45 49 H 0.25764612394163 0.37500000000000 0.90764050345187 1.008 > 49 50 H 0.75764612394163 0.37500000000000 0.90764050345187 1.008 > 49 51 H 0.25764612394163 0.87500000000000 0.90764050345187 1.008 > 49 52 H 0.75764612394163 0.87500000000000 0.90764050345187 1.008 > 49 53 H 0.00764612394163 0.37500000000000 0.59235949654813 1.008 > 53 54 H 0.50764612394163 0.37500000000000 0.59235949654813 1.008 > 53 55 H 0.00764612394163 0.87500000000000 0.59235949654813 1.008 > 53 56 H 0.50764612394163 0.87500000000000 0.59235949654813 1.008 > 53 57 H 0.24235387605837 0.12500000000000 0.09235949654813 1.008 > 57 58 H 0.74235387605837 0.12500000000000 0.09235949654813 1.008 > 57 59 H 0.24235387605837 0.62500000000000 0.09235949654813 1.008 > 57 60 H 0.74235387605837 0.62500000000000 0.09235949654813 1.008 > 57 61 H 0.49235387605837 0.12500000000000 0.40764050345187 1.008 > 61 62 H 0.99235387605837 0.12500000000000 0.40764050345187 1.008 > 61 63 H 0.49235387605837 0.62500000000000 0.40764050345187 1.008 > 61 64 H 0.99235387605837 0.62500000000000 0.40764050345187 1.008 > 61 65 H 0.40476627830717 0.37500000000000 0.07278795577732 1.008 > 65 66 H 0.90476627830717 0.37500000000000 0.07278795577732 1.008 > 65 67 H 0.40476627830717 0.87500000000000 0.07278795577732 1.008 > 65 68 H 0.90476627830717 0.87500000000000 0.07278795577732 1.008 > 65 69 H 0.15476627830717 0.37500000000000 0.42721204422268 1.008 > 69 70 H 0.65476627830717 0.37500000000000 0.42721204422268 1.008 > 69 71 H 0.15476627830717 0.87500000000000 0.42721204422268 1.008 > 69 72 H 0.65476627830717 0.87500000000000 0.42721204422268 1.008 > 69 73 H 0.09523372169283 0.12500000000000 0.92721204422268 1.008 > 73 74 H 0.59523372169283 0.12500000000000 0.92721204422268 1.008 > 73 75 H 0.09523372169283 0.62500000000000 0.92721204422268 1.008 > 73 76 H 0.59523372169283 0.62500000000000 0.92721204422268 1.008 > 73 77 H 0.34523372169283 0.12500000000000 0.57278795577732 1.008 > 77 78 H 0.84523372169283 0.12500000000000 0.57278795577732 1.008 > 77 79 H 0.34523372169283 0.62500000000000 0.57278795577732 1.008 > 77 80 H 0.84523372169283 0.62500000000000 0.57278795577732 1.008 > 77 81 H 0.40772910639913 0.25684149392420 0.84844675035504 1.008 > 81 82 H 0.90772910639913 0.25684149392420 0.84844675035504 1.008 > 81 83 H 0.40772910639913 0.75684149392420 0.84844675035504 1.008 > 81 84 H 0.90772910639913 0.75684149392420 0.84844675035504 1.008 > 81 85 H 0.15772910639913 0.49315850607580 0.65155324964496 1.008 > 85 86 H 0.65772910639913 0.49315850607580 0.65155324964496 1.008 > 85 87 H 0.15772910639913 0.99315850607580 0.65155324964496 1.008 > 85 88 H 0.65772910639913 0.99315850607580 0.65155324964496 1.008 > 85 89 H 0.09227089360087 0.00684149392420 0.15155324964496 1.008 > 89 90 H 0.59227089360087 0.00684149392420 0.15155324964496 1.008 > 89 91 H 0.09227089360087 0.50684149392420 0.15155324964496 1.008 > 89 92 H 0.59227089360087 0.50684149392420 0.15155324964496 1.008 > 89 93 H 0.34227089360087 0.24315850607580 0.34844675035504 1.008 > 93 94 H 0.84227089360087 0.24315850607580 0.34844675035504 1.008 > 93 95 H 0.34227089360087 0.74315850607580 0.34844675035504 1.008 > 93 96 H 0.84227089360087 0.74315850607580 0.34844675035504 1.008 > 93 97 H 0.09227089360087 0.24315850607580 0.15155324964496 1.008 > 97 98 H 0.59227089360087 0.24315850607580 0.15155324964496 1.008 > 97 99 H 0.09227089360087 0.74315850607580 0.15155324964496 1.008 > 97 100 H 0.59227089360087 0.74315850607580 0.15155324964496 1.008 > 97 101 H 0.34227089360087 0.00684149392420 0.34844675035504 1.008 > 101 102 H 0.84227089360087 0.00684149392420 0.34844675035504 1.008 > 101 103 H 0.34227089360087 0.50684149392420 0.34844675035504 1.008 > 101 104 H 0.84227089360087 0.50684149392420 0.34844675035504 1.008 > 101 105 H 0.40772910639913 0.49315850607580 0.84844675035504 1.008 > 105 106 H 0.90772910639913 0.49315850607580 0.84844675035504 1.008 > 105 107 H 0.40772910639913 0.99315850607580 0.84844675035504 1.008 > 105 108 H 0.90772910639913 0.99315850607580 0.84844675035504 1.008 > 105 109 H 0.15772910639913 0.25684149392420 0.65155324964496 1.008 > 109 110 H 0.65772910639913 0.25684149392420 0.65155324964496 1.008 > 109 111 H 0.15772910639913 0.75684149392420 0.65155324964496 1.008 > 109 112 H 0.65772910639913 0.75684149392420 0.65155324964496 1.008 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.3275660 0.0000000 0.0000000 0.0000000 3.2071646 0.0000000 0.0000000 0.0000000 3.2203295 -------------------------- Born effective charges -------------------------- 1 Cs 1.1931799 0.0000000 -0.0089757 0.0000000 1.1983394 0.0000000 -0.0119551 0.0000000 1.1949442 2 Cs 1.1931799 0.0000000 0.0089757 0.0000000 1.1983394 0.0000000 0.0119551 0.0000000 1.1949442 3 Cs 1.1931799 0.0000000 -0.0089757 0.0000000 1.1983394 0.0000000 -0.0119551 0.0000000 1.1949442 4 Cs 1.1931799 0.0000000 0.0089757 0.0000000 1.1983394 0.0000000 0.0119551 0.0000000 1.1949442 5 Cs 1.1459087 0.0000000 0.0193493 0.0000000 1.1192479 0.0000000 0.0168636 0.0000000 1.1110108 6 Cs 1.1459087 0.0000000 -0.0193493 0.0000000 1.1192479 0.0000000 -0.0168636 0.0000000 1.1110108 7 Cs 1.1459087 0.0000000 0.0193493 0.0000000 1.1192479 0.0000000 0.0168636 0.0000000 1.1110108 8 Cs 1.1459087 0.0000000 -0.0193493 0.0000000 1.1192479 0.0000000 -0.0168636 0.0000000 1.1110108 9 Mg 1.3504843 0.0000000 0.0096218 0.0000000 1.2712174 0.0000000 0.0073436 0.0000000 1.2543941 10 Mg 1.3504843 0.0000000 -0.0096218 0.0000000 1.2712174 0.0000000 -0.0073436 0.0000000 1.2543941 11 Mg 1.3504843 0.0000000 0.0096218 0.0000000 1.2712174 0.0000000 0.0073436 0.0000000 1.2543941 12 Mg 1.3504843 0.0000000 -0.0096218 0.0000000 1.2712174 0.0000000 -0.0073436 0.0000000 1.2543941 13 H -1.0485919 0.0000000 0.0323317 0.0000000 -0.8443931 0.0000000 0.0105701 0.0000000 -0.8557104 14 H -1.0485919 0.0000000 -0.0323317 0.0000000 -0.8443931 0.0000000 -0.0105701 0.0000000 -0.8557104 15 H -1.0485919 0.0000000 0.0323317 0.0000000 -0.8443931 0.0000000 0.0105701 0.0000000 -0.8557104 16 H -1.0485919 0.0000000 -0.0323317 0.0000000 -0.8443931 0.0000000 -0.0105701 0.0000000 -0.8557104 17 H -0.8565123 0.0000000 -0.0376695 0.0000000 -0.8553572 0.0000000 -0.0287179 0.0000000 -0.9903384 18 H -0.8565123 0.0000000 0.0376695 0.0000000 -0.8553572 0.0000000 0.0287179 0.0000000 -0.9903384 19 H -0.8565123 0.0000000 -0.0376695 0.0000000 -0.8553572 0.0000000 -0.0287179 0.0000000 -0.9903384 20 H -0.8565123 0.0000000 0.0376695 0.0000000 -0.8553572 0.0000000 0.0287179 0.0000000 -0.9903384 21 H -0.8922343 0.0254445 0.0079108 0.0373431 -0.9445272 -0.0635257 -0.0062340 -0.0661548 -0.8571502 22 H -0.8922343 -0.0254445 -0.0079108 -0.0373431 -0.9445272 -0.0635257 0.0062340 -0.0661548 -0.8571502 23 H -0.8922343 -0.0254445 0.0079108 -0.0373431 -0.9445272 0.0635257 -0.0062340 0.0661548 -0.8571502 24 H -0.8922343 0.0254445 -0.0079108 0.0373431 -0.9445272 0.0635257 0.0062340 0.0661548 -0.8571502 25 H -0.8922343 0.0254445 0.0079108 0.0373431 -0.9445272 -0.0635257 -0.0062340 -0.0661548 -0.8571502 26 H -0.8922343 -0.0254445 -0.0079108 -0.0373431 -0.9445272 -0.0635257 0.0062340 -0.0661548 -0.8571502 27 H -0.8922343 -0.0254445 0.0079108 -0.0373431 -0.9445272 0.0635257 -0.0062340 0.0661548 -0.8571502 28 H -0.8922343 0.0254445 -0.0079108 0.0373431 -0.9445272 0.0635257 0.0062340 0.0661548 -0.8571502 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000003 (yzy) 0.00000003 (yzy) 0.00000003 (yyz) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 8 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.49, Number of G-points: 305, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.966 ( 0.000 0.000 0.000) 0.000 1.013 ( 0.000 0.000 0.000) 0.000 1.110 ( 0.000 0.000 0.000) 0.000 1.152 ( 0.000 0.000 0.000) 0.000 1.171 ( 0.000 0.000 0.000) 0.000 1.192 ( 0.000 0.000 0.000) 0.000 1.201 ( 0.000 0.000 0.000) 0.000 1.293 ( 0.000 0.000 0.000) 0.000 1.332 ( 0.000 0.000 0.000) 0.000 1.355 ( 0.000 0.000 0.000) 0.000 1.393 ( 0.000 0.000 0.000) 0.000 1.477 ( 0.000 0.000 0.000) 0.000 1.490 ( 0.000 0.000 0.000) 0.000 1.554 ( 0.000 0.000 0.000) 0.000 1.604 ( 0.000 0.000 0.000) 0.000 1.638 ( 0.000 0.000 0.000) 0.000 1.690 ( 0.000 0.000 0.000) 0.000 1.771 ( 0.000 0.000 0.000) 0.000 1.838 ( 0.000 0.000 0.000) 0.000 1.996 ( 0.000 0.000 0.000) 0.000 2.165 ( 0.000 0.000 0.000) 0.000 3.435 ( 0.000 0.000 0.000) 0.000 3.820 ( 0.000 0.000 0.000) 0.000 3.968 ( 0.000 0.000 0.000) 0.000 4.038 ( 0.000 0.000 0.000) 0.000 4.148 ( 0.000 0.000 0.000) 0.000 4.302 ( 0.000 0.000 0.000) 0.000 4.453 ( 0.000 0.000 0.000) 0.000 4.623 ( 0.000 0.000 0.000) 0.000 4.697 ( 0.000 0.000 0.000) 0.000 4.700 ( 0.000 0.000 0.000) 0.000 4.762 ( 0.000 0.000 0.000) 0.000 4.792 ( 0.000 0.000 0.000) 0.000 6.369 ( 0.000 0.000 0.000) 0.000 6.604 ( 0.000 0.000 0.000) 0.000 7.624 ( 0.000 0.000 0.000) 0.000 7.769 ( 0.000 0.000 0.000) 0.000 8.496 ( 0.000 0.000 0.000) 0.000 8.770 ( 0.000 0.000 0.000) 0.000 8.786 ( 0.000 0.000 0.000) 0.000 8.829 ( 0.000 0.000 0.000) 0.000 9.358 ( 0.000 0.000 0.000) 0.000 9.443 ( 0.000 0.000 0.000) 0.000 9.733 ( 0.000 0.000 0.000) 0.000 10.283 ( 0.000 0.000 0.000) 0.000 15.228 ( 0.000 0.000 0.000) 0.000 15.671 ( 0.000 0.000 0.000) 0.000 15.915 ( 0.000 0.000 0.000) 0.000 16.043 ( 0.000 0.000 0.000) 0.000 16.335 ( 0.000 0.000 0.000) 0.000 16.343 ( 0.000 0.000 0.000) 0.000 16.459 ( 0.000 0.000 0.000) 0.000 16.558 ( 0.000 0.000 0.000) 0.000 16.674 ( 0.000 0.000 0.000) 0.000 16.785 ( 0.000 0.000 0.000) 0.000 17.024 ( 0.000 0.000 0.000) 0.000 17.024 ( 0.000 0.000 0.000) 0.000 17.105 ( 0.000 0.000 0.000) 0.000 17.173 ( 0.000 0.000 0.000) 0.000 17.236 ( 0.000 0.000 0.000) 0.000 18.296 ( 0.000 0.000 0.000) 0.000 18.685 ( 0.000 0.000 0.000) 0.000 19.167 ( 0.000 0.000 0.000) 0.000 19.536 ( 0.000 0.000 0.000) 0.000 20.502 ( 0.000 0.000 0.000) 0.000 35.710 ( 0.000 0.000 0.000) 0.000 35.911 ( 0.000 0.000 0.000) 0.000 36.062 ( 0.000 0.000 0.000) 0.000 36.160 ( 0.000 0.000 0.000) 0.000 36.268 ( 0.000 0.000 0.000) 0.000 36.415 ( 0.000 0.000 0.000) 0.000 36.498 ( 0.000 0.000 0.000) 0.000 36.673 ( 0.000 0.000 0.000) 0.000 36.692 ( 0.000 0.000 0.000) 0.000 36.749 ( 0.000 0.000 0.000) 0.000 36.759 ( 0.000 0.000 0.000) 0.000 37.207 ( 0.000 0.000 0.000) 0.000 39.272 ( 0.000 0.000 0.000) 0.000 39.348 ( 0.000 0.000 0.000) 0.000 39.372 ( 0.000 0.000 0.000) 0.000 39.545 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.291 ( 14.269 0.000 0.000) 14.269 0.334 ( 16.406 0.000 0.000) 16.406 0.564 ( 27.777 0.000 0.000) 27.777 0.978 ( 0.606 0.000 0.000) 0.606 1.073 ( 5.575 0.000 0.000) 5.575 1.086 ( -3.575 0.000 0.000) 3.575 1.164 ( 1.282 0.000 0.000) 1.282 1.180 ( 0.256 0.000 0.000) 0.256 1.212 ( 1.247 0.000 0.000) 1.247 1.214 ( 0.418 0.000 0.000) 0.418 1.329 ( 3.771 0.000 0.000) 3.771 1.332 ( -0.428 0.000 0.000) 0.428 1.377 ( -1.547 0.000 0.000) 1.547 1.385 ( 3.398 0.000 0.000) 3.398 1.464 ( -1.771 0.000 0.000) 1.771 1.510 ( 1.852 0.000 0.000) 1.852 1.561 ( 0.645 0.000 0.000) 0.645 1.586 ( 0.261 0.000 0.000) 0.261 1.634 ( -0.383 0.000 0.000) 0.383 1.731 ( -0.412 0.000 0.000) 0.412 1.808 ( 4.235 0.000 0.000) 4.235 1.814 ( -2.280 0.000 0.000) 2.280 2.002 ( 0.506 0.000 0.000) 0.506 2.095 ( -6.982 0.000 0.000) 6.982 3.491 ( 5.214 0.000 0.000) 5.214 3.818 ( -0.397 0.000 0.000) 0.397 3.969 ( 0.139 0.000 0.000) 0.139 4.030 ( -0.777 0.000 0.000) 0.777 4.161 ( 1.336 0.000 0.000) 1.336 4.295 ( -0.732 0.000 0.000) 0.732 4.430 ( -1.713 0.000 0.000) 1.713 4.647 ( -4.374 0.000 0.000) 4.374 4.707 ( -0.864 0.000 0.000) 0.864 4.709 ( 0.201 0.000 0.000) 0.201 4.817 ( 2.729 0.000 0.000) 2.729 5.234 ( -3.709 0.000 0.000) 3.709 6.378 ( 1.019 0.000 0.000) 1.019 6.582 ( -2.072 0.000 0.000) 2.072 7.697 ( 6.969 0.000 0.000) 6.969 7.885 ( 10.281 0.000 0.000) 10.281 8.495 ( 0.465 0.000 0.000) 0.465 8.744 ( -1.250 0.000 0.000) 1.250 8.819 ( 2.717 0.000 0.000) 2.717 8.842 ( 0.751 0.000 0.000) 0.751 9.499 ( 11.625 0.000 0.000) 11.625 9.534 ( 4.110 0.000 0.000) 4.110 9.810 ( 7.232 0.000 0.000) 7.232 10.270 ( -1.421 0.000 0.000) 1.421 15.293 ( 6.627 0.000 0.000) 6.627 15.689 ( 1.874 0.000 0.000) 1.874 15.948 ( 3.212 0.000 0.000) 3.212 16.014 ( -2.925 0.000 0.000) 2.925 16.335 ( 0.003 0.000 0.000) 0.003 16.432 ( -2.361 0.000 0.000) 2.361 16.467 ( -7.760 0.000 0.000) 7.760 16.469 ( -14.509 0.000 0.000) 14.509 16.701 ( 2.379 0.000 0.000) 2.379 16.824 ( 3.530 0.000 0.000) 3.530 17.013 ( -1.112 0.000 0.000) 1.112 17.091 ( -1.321 0.000 0.000) 1.321 17.108 ( 5.234 0.000 0.000) 5.234 17.156 ( -1.654 0.000 0.000) 1.654 18.009 ( -18.219 0.000 0.000) 18.219 18.300 ( -27.107 0.000 0.000) 27.107 19.620 ( 33.599 0.000 0.000) 33.599 19.679 ( 25.287 0.000 0.000) 25.287 20.555 ( 5.266 0.000 0.000) 5.266 21.640 ( -5.928 0.000 0.000) 5.928 35.724 ( 1.322 0.000 0.000) 1.322 35.899 ( -1.219 0.000 0.000) 1.219 36.067 ( 0.388 0.000 0.000) 0.388 36.140 ( -1.761 0.000 0.000) 1.761 36.459 ( 4.508 0.000 0.000) 4.508 36.596 ( 9.581 0.000 0.000) 9.581 36.678 ( 0.511 0.000 0.000) 0.511 36.697 ( 0.506 0.000 0.000) 0.506 36.744 ( -0.534 0.000 0.000) 0.534 36.756 ( -0.371 0.000 0.000) 0.371 37.128 ( -4.921 0.000 0.000) 4.921 37.787 ( -9.985 0.000 0.000) 9.985 39.310 ( 3.345 0.000 0.000) 3.345 39.385 ( 1.160 0.000 0.000) 1.160 39.386 ( 1.716 0.000 0.000) 1.716 39.541 ( -0.402 0.000 0.000) 0.402 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.555 ( 12.501 0.000 0.000) 12.501 0.633 ( 13.669 0.000 0.000) 13.669 0.961 ( -1.853 0.000 0.000) 1.853 0.966 ( -8.038 0.000 0.000) 8.038 1.076 ( 22.349 0.000 0.000) 22.349 1.192 ( 3.084 0.000 0.000) 3.084 1.202 ( 2.448 0.000 0.000) 2.448 1.214 ( -0.637 0.000 0.000) 0.637 1.214 ( 2.663 0.000 0.000) 2.663 1.214 ( 2.600 0.000 0.000) 2.600 1.308 ( -1.966 0.000 0.000) 1.966 1.335 ( -2.645 0.000 0.000) 2.645 1.378 ( -1.727 0.000 0.000) 1.727 1.457 ( 3.509 0.000 0.000) 3.509 1.458 ( 2.506 0.000 0.000) 2.506 1.553 ( 2.338 0.000 0.000) 2.338 1.583 ( 1.560 0.000 0.000) 1.560 1.621 ( -0.986 0.000 0.000) 0.986 1.626 ( 3.000 0.000 0.000) 3.000 1.712 ( -0.858 0.000 0.000) 0.858 1.754 ( -3.883 0.000 0.000) 3.883 1.903 ( 4.804 0.000 0.000) 4.804 1.905 ( -11.536 0.000 0.000) 11.536 2.008 ( -0.280 0.000 0.000) 0.280 3.615 ( 6.708 0.000 0.000) 6.708 3.797 ( -1.969 0.000 0.000) 1.969 3.975 ( 0.415 0.000 0.000) 0.415 4.009 ( -1.242 0.000 0.000) 1.242 4.197 ( 2.132 0.000 0.000) 2.132 4.274 ( -1.421 0.000 0.000) 1.421 4.413 ( 0.416 0.000 0.000) 0.416 4.545 ( -5.461 0.000 0.000) 5.461 4.686 ( -0.981 0.000 0.000) 0.981 4.697 ( -1.170 0.000 0.000) 1.170 4.896 ( 5.081 0.000 0.000) 5.081 5.135 ( -6.052 0.000 0.000) 6.052 6.412 ( 2.428 0.000 0.000) 2.428 6.530 ( -3.006 0.000 0.000) 3.006 7.865 ( 9.179 0.000 0.000) 9.179 8.059 ( 4.173 0.000 0.000) 4.173 8.562 ( 7.661 0.000 0.000) 7.661 8.750 ( 1.739 0.000 0.000) 1.739 8.838 ( -1.321 0.000 0.000) 1.321 8.849 ( -0.938 0.000 0.000) 0.938 9.651 ( 6.973 0.000 0.000) 6.973 9.705 ( 7.449 0.000 0.000) 7.449 9.980 ( 8.997 0.000 0.000) 8.997 10.225 ( -3.289 0.000 0.000) 3.289 15.488 ( 13.050 0.000 0.000) 13.050 15.744 ( 3.725 0.000 0.000) 3.725 15.934 ( -4.952 0.000 0.000) 4.952 16.021 ( 2.071 0.000 0.000) 2.071 16.160 ( -14.283 0.000 0.000) 14.283 16.303 ( -8.074 0.000 0.000) 8.074 16.338 ( 0.360 0.000 0.000) 0.360 16.384 ( -2.198 0.000 0.000) 2.198 16.784 ( 6.838 0.000 0.000) 6.838 16.902 ( 3.985 0.000 0.000) 3.985 16.987 ( -1.267 0.000 0.000) 1.267 17.063 ( -1.153 0.000 0.000) 1.153 17.112 ( -2.623 0.000 0.000) 2.623 17.148 ( -2.826 0.000 0.000) 2.826 17.739 ( -9.074 0.000 0.000) 9.074 17.822 ( -18.515 0.000 0.000) 18.515 20.119 ( 17.833 0.000 0.000) 17.833 20.199 ( 20.216 0.000 0.000) 20.216 20.731 ( 14.491 0.000 0.000) 14.491 21.452 ( -13.436 0.000 0.000) 13.436 35.760 ( 2.332 0.000 0.000) 2.332 35.863 ( -2.340 0.000 0.000) 2.340 36.073 ( 0.218 0.000 0.000) 0.218 36.103 ( -1.690 0.000 0.000) 1.690 36.591 ( 8.746 0.000 0.000) 8.746 36.692 ( 0.871 0.000 0.000) 0.871 36.710 ( 0.848 0.000 0.000) 0.848 36.730 ( -0.876 0.000 0.000) 0.876 36.745 ( -0.732 0.000 0.000) 0.732 36.852 ( 15.820 0.000 0.000) 15.820 36.987 ( -9.146 0.000 0.000) 9.146 37.525 ( -15.881 0.000 0.000) 15.881 39.376 ( 2.815 0.000 0.000) 2.815 39.409 ( 0.951 0.000 0.000) 0.951 39.435 ( 3.092 0.000 0.000) 3.092 39.527 ( -1.169 0.000 0.000) 1.169 ======================= Grid point 3 (4/60) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( -10.558 0.000 0.000) 10.558 0.782 ( 10.558 0.000 0.000) 10.558 0.856 ( -8.620 0.000 0.000) 8.620 0.856 ( 8.620 0.000 0.000) 8.620 1.192 ( -0.153 0.000 0.000) 0.153 1.192 ( 0.153 0.000 0.000) 0.153 1.251 ( -1.743 0.000 0.000) 1.743 1.251 ( 1.743 0.000 0.000) 1.743 1.281 ( -2.087 0.000 0.000) 2.087 1.281 ( 2.087 0.000 0.000) 2.087 1.313 ( -4.344 0.000 0.000) 4.344 1.313 ( 4.344 0.000 0.000) 4.344 1.431 ( -8.472 0.000 0.000) 8.472 1.431 ( 8.472 0.000 0.000) 8.472 1.550 ( -6.815 0.000 0.000) 6.815 1.550 ( 6.815 0.000 0.000) 6.815 1.594 ( -1.751 0.000 0.000) 1.751 1.594 ( 1.751 0.000 0.000) 1.751 1.671 ( -1.737 0.000 0.000) 1.737 1.671 ( 1.737 0.000 0.000) 1.737 1.732 ( -4.140 0.000 0.000) 4.140 1.732 ( 4.140 0.000 0.000) 4.140 1.980 ( -2.720 0.000 0.000) 2.720 1.980 ( 2.720 0.000 0.000) 2.720 3.731 ( -4.784 0.000 0.000) 4.784 3.731 ( 4.784 0.000 0.000) 4.784 3.987 ( -0.904 0.000 0.000) 0.904 3.987 ( 0.904 0.000 0.000) 0.904 4.239 ( -2.048 0.000 0.000) 2.048 4.239 ( 2.048 0.000 0.000) 2.048 4.453 ( -3.591 0.000 0.000) 3.591 4.453 ( 3.591 0.000 0.000) 3.591 4.679 ( -0.375 0.000 0.000) 0.375 4.679 ( 0.375 0.000 0.000) 0.375 5.010 ( -6.313 0.000 0.000) 6.313 5.010 ( 6.313 0.000 0.000) 6.313 6.468 ( -3.162 0.000 0.000) 3.162 6.468 ( 3.162 0.000 0.000) 3.162 8.025 ( -6.189 0.000 0.000) 6.189 8.025 ( 6.189 0.000 0.000) 6.189 8.751 ( -8.861 0.000 0.000) 8.861 8.751 ( 8.861 0.000 0.000) 8.861 8.796 ( -2.596 0.000 0.000) 2.596 8.796 ( 2.596 0.000 0.000) 2.596 9.755 ( -2.262 0.000 0.000) 2.262 9.755 ( 2.262 0.000 0.000) 2.262 10.133 ( -6.219 0.000 0.000) 6.219 10.133 ( 6.219 0.000 0.000) 6.219 15.788 ( -16.732 0.000 0.000) 16.732 15.788 ( 16.732 0.000 0.000) 16.732 15.832 ( -5.076 0.000 0.000) 5.076 15.832 ( 5.076 0.000 0.000) 5.076 16.164 ( -6.066 0.000 0.000) 6.066 16.164 ( 6.066 0.000 0.000) 6.066 16.351 ( -1.098 0.000 0.000) 1.098 16.351 ( 1.098 0.000 0.000) 1.098 16.961 ( -1.794 0.000 0.000) 1.794 16.961 ( 1.794 0.000 0.000) 1.794 16.979 ( -11.937 0.000 0.000) 11.937 16.979 ( 11.937 0.000 0.000) 11.937 17.065 ( -1.646 0.000 0.000) 1.646 17.065 ( 1.646 0.000 0.000) 1.646 17.647 ( -0.354 0.000 0.000) 0.354 17.647 ( 0.354 0.000 0.000) 0.354 20.339 ( -3.733 0.000 0.000) 3.733 20.339 ( 3.733 0.000 0.000) 3.733 21.112 ( -20.597 0.000 0.000) 20.597 21.112 ( 20.597 0.000 0.000) 20.597 35.811 ( -2.764 0.000 0.000) 2.764 35.811 ( 2.764 0.000 0.000) 2.764 36.080 ( -0.679 0.000 0.000) 0.679 36.080 ( 0.679 0.000 0.000) 0.679 36.711 ( -0.996 0.000 0.000) 0.996 36.711 ( 0.996 0.000 0.000) 0.996 36.728 ( -0.924 0.000 0.000) 0.924 36.728 ( 0.924 0.000 0.000) 0.924 36.787 ( -10.659 0.000 0.000) 10.659 36.787 ( 10.659 0.000 0.000) 10.659 37.189 ( -17.750 0.000 0.000) 17.750 37.189 ( 17.750 0.000 0.000) 17.750 39.412 ( -0.804 0.000 0.000) 0.804 39.412 ( 0.804 0.000 0.000) 0.804 39.492 ( -2.408 0.000 0.000) 2.408 39.492 ( 2.408 0.000 0.000) 2.408 ======================= Grid point 7 (5/60) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.310 ( 0.000 15.635 0.000) 15.635 0.331 ( 0.000 16.567 0.000) 16.567 0.518 ( 0.000 25.540 0.000) 25.540 0.990 ( 0.000 2.383 0.000) 2.383 1.032 ( 0.000 1.860 0.000) 1.860 1.065 ( 0.000 -3.654 0.000) 3.654 1.122 ( 0.000 1.006 0.000) 1.006 1.184 ( 0.000 -1.234 0.000) 1.234 1.217 ( 0.000 2.392 0.000) 2.392 1.288 ( 0.000 5.434 0.000) 5.434 1.292 ( 0.000 -0.118 0.000) 0.118 1.304 ( 0.000 -1.615 0.000) 1.615 1.398 ( 0.000 2.857 0.000) 2.857 1.431 ( 0.000 3.813 0.000) 3.813 1.452 ( 0.000 -2.526 0.000) 2.526 1.461 ( 0.000 -2.790 0.000) 2.790 1.549 ( 0.000 -0.648 0.000) 0.648 1.551 ( 0.000 -3.103 0.000) 3.103 1.685 ( 0.000 2.268 0.000) 2.268 1.703 ( 0.000 1.483 0.000) 1.483 1.775 ( 0.000 0.440 0.000) 0.440 1.819 ( 0.000 -1.764 0.000) 1.764 1.979 ( 0.000 -1.811 0.000) 1.811 2.150 ( 0.000 -1.585 0.000) 1.585 3.888 ( 0.000 6.209 0.000) 6.209 4.005 ( 0.000 3.692 0.000) 3.692 4.067 ( 0.000 1.787 0.000) 1.787 4.149 ( 0.000 1.128 0.000) 1.128 4.284 ( 0.000 -1.551 0.000) 1.551 4.420 ( 0.000 -3.152 0.000) 3.152 4.599 ( 0.000 -2.524 0.000) 2.524 4.666 ( 0.000 -1.804 0.000) 1.804 4.690 ( 0.000 -0.947 0.000) 0.947 4.743 ( 0.000 0.366 0.000) 0.366 4.745 ( 0.000 -1.573 0.000) 1.573 4.772 ( 0.000 -1.848 0.000) 1.848 6.591 ( 0.000 21.226 0.000) 21.226 6.769 ( 0.000 15.240 0.000) 15.240 7.660 ( 0.000 3.084 0.000) 3.084 7.925 ( 0.000 14.488 0.000) 14.488 8.414 ( 0.000 -6.417 0.000) 6.417 8.662 ( 0.000 -6.475 0.000) 6.475 8.779 ( 0.000 1.029 0.000) 1.029 9.205 ( 0.000 19.727 0.000) 19.727 9.419 ( 0.000 -2.204 0.000) 2.204 9.462 ( 0.000 8.909 0.000) 8.909 9.771 ( 0.000 3.259 0.000) 3.259 10.336 ( 0.000 4.873 0.000) 4.873 15.240 ( 0.000 1.237 0.000) 1.237 15.854 ( 0.000 -5.240 0.000) 5.240 15.903 ( 0.000 -11.544 0.000) 11.544 16.191 ( 0.000 -12.820 0.000) 12.820 16.358 ( 0.000 3.389 0.000) 3.389 16.436 ( 0.000 9.040 0.000) 9.040 16.500 ( 0.000 -10.621 0.000) 10.621 16.692 ( 0.000 9.769 0.000) 9.769 16.822 ( 0.000 2.549 0.000) 2.549 16.981 ( 0.000 -3.436 0.000) 3.436 17.013 ( 0.000 -1.131 0.000) 1.131 17.240 ( 0.000 6.640 0.000) 6.640 17.348 ( 0.000 25.385 0.000) 25.385 17.625 ( 0.000 28.464 0.000) 28.464 18.403 ( 0.000 10.211 0.000) 10.211 18.697 ( 0.000 1.361 0.000) 1.361 19.143 ( 0.000 -2.208 0.000) 2.208 19.491 ( 0.000 -4.271 0.000) 4.271 20.394 ( 0.000 -10.628 0.000) 10.628 20.439 ( 0.000 -3.261 0.000) 3.261 35.713 ( 0.000 0.286 0.000) 0.286 35.894 ( 0.000 -1.479 0.000) 1.479 36.032 ( 0.000 -2.811 0.000) 2.811 36.157 ( 0.000 -0.284 0.000) 0.284 36.257 ( 0.000 -1.128 0.000) 1.128 36.381 ( 0.000 -2.679 0.000) 2.679 36.430 ( 0.000 -4.827 0.000) 4.827 36.463 ( 0.000 -15.593 0.000) 15.593 36.832 ( 0.000 7.264 0.000) 7.264 36.861 ( 0.000 8.057 0.000) 8.057 37.432 ( 0.000 17.048 0.000) 17.048 38.207 ( 0.000 0.442 0.000) 0.442 39.277 ( 0.000 0.456 0.000) 0.456 39.337 ( 0.000 -1.068 0.000) 1.068 39.357 ( 0.000 -1.484 0.000) 1.484 39.510 ( 0.000 -3.396 0.000) 3.396 ======================= Grid point 8 (6/60) ======================= q-point: ( 0.17 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.425 ( 9.563 11.342 0.000) 14.836 0.462 ( 11.023 11.049 0.000) 15.607 0.759 ( 19.924 16.749 0.000) 26.029 0.991 ( 0.297 1.406 0.000) 1.437 1.077 ( 3.064 0.703 0.000) 3.144 1.104 ( 2.855 -2.913 0.000) 4.079 1.113 ( -1.140 1.945 0.000) 2.255 1.190 ( -0.039 0.682 0.000) 0.683 1.213 ( 1.041 0.579 0.000) 1.191 1.280 ( -0.249 2.960 0.000) 2.971 1.331 ( 2.400 0.503 0.000) 2.452 1.337 ( 1.799 0.420 0.000) 1.847 1.387 ( 0.913 0.054 0.000) 0.915 1.421 ( 0.238 3.207 0.000) 3.216 1.460 ( -0.870 0.598 0.000) 1.056 1.496 ( 2.553 -1.257 0.000) 2.846 1.539 ( 0.438 -2.930 0.000) 2.963 1.558 ( 1.020 -0.261 0.000) 1.053 1.650 ( -1.308 0.108 0.000) 1.313 1.740 ( -0.437 1.940 0.000) 1.989 1.799 ( -1.908 -1.425 0.000) 2.381 1.803 ( 4.233 -0.037 0.000) 4.234 1.983 ( 0.386 -1.955 0.000) 1.992 2.087 ( -6.331 -0.887 0.000) 6.393 3.882 ( -0.573 5.957 0.000) 5.985 3.941 ( -13.856 16.711 0.000) 21.709 4.044 ( -6.528 12.405 0.000) 14.018 4.070 ( 0.014 3.192 0.000) 3.192 4.154 ( 0.671 -0.119 0.000) 0.681 4.288 ( -1.138 -0.166 0.000) 1.150 4.402 ( -1.341 -2.717 0.000) 3.030 4.620 ( -4.214 -2.749 0.000) 5.031 4.691 ( -0.714 -1.392 0.000) 1.564 4.696 ( 0.150 -1.141 0.000) 1.150 4.795 ( 2.422 -2.099 0.000) 3.205 5.077 ( 4.309 -11.090 0.000) 11.898 6.602 ( 1.181 21.516 0.000) 21.548 6.756 ( -1.132 16.582 0.000) 16.621 7.746 ( 7.938 4.107 0.000) 8.937 8.041 ( 10.098 14.776 0.000) 17.897 8.431 ( 2.349 -5.178 0.000) 5.686 8.690 ( 3.299 -4.812 0.000) 5.834 8.775 ( -0.262 2.436 0.000) 2.450 9.108 ( -4.971 16.645 0.000) 17.372 9.498 ( 5.071 -1.764 0.000) 5.369 9.551 ( 7.750 4.774 0.000) 9.102 9.844 ( 6.970 2.861 0.000) 7.534 10.326 ( -1.173 4.953 0.000) 5.090 15.301 ( 6.204 0.865 0.000) 6.263 15.855 ( -0.500 -4.288 0.000) 4.317 15.890 ( -1.129 -10.381 0.000) 10.442 16.070 ( -6.912 7.993 0.000) 10.567 16.324 ( -2.893 1.634 0.000) 3.322 16.353 ( -12.772 0.327 0.000) 12.776 16.543 ( 3.641 -4.678 0.000) 5.928 16.572 ( -9.021 10.869 0.000) 14.125 16.663 ( -2.497 8.566 0.000) 8.922 16.850 ( 2.942 2.261 0.000) 3.710 17.023 ( -1.931 0.839 0.000) 2.105 17.187 ( -5.614 4.670 0.000) 7.302 17.294 ( -4.457 21.674 0.000) 22.128 17.525 ( -5.968 27.875 0.000) 28.507 18.145 ( -14.879 12.608 0.000) 19.502 18.356 ( -23.753 6.052 0.000) 24.512 19.592 ( 32.652 -2.563 0.000) 32.753 19.622 ( 20.768 -5.332 0.000) 21.441 20.453 ( 5.881 -9.956 0.000) 11.563 21.163 ( 23.698 -29.552 0.000) 37.880 35.723 ( 1.155 0.096 0.000) 1.159 35.884 ( -1.067 -1.321 0.000) 1.699 36.040 ( 0.638 -2.658 0.000) 2.734 36.125 ( -1.974 -1.325 0.000) 2.377 36.399 ( 2.023 -4.221 0.000) 4.680 36.447 ( 8.504 -11.783 0.000) 14.531 36.482 ( 2.686 -14.001 0.000) 14.257 36.489 ( 4.965 -6.646 0.000) 8.295 36.849 ( 1.696 8.571 0.000) 8.737 36.892 ( 3.775 9.466 0.000) 10.191 37.366 ( -6.162 16.953 0.000) 18.038 37.983 ( -16.175 9.157 0.000) 18.587 39.308 ( 2.914 -0.076 0.000) 2.915 39.365 ( 2.283 -1.481 0.000) 2.721 39.371 ( 1.229 -1.412 0.000) 1.872 39.509 ( -0.151 -3.139 0.000) 3.143 ======================= Grid point 9 (7/60) ======================= q-point: ( 0.33 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.628 ( 10.391 6.929 0.000) 12.490 0.693 ( 11.445 5.822 0.000) 12.841 0.979 ( -1.672 1.785 0.000) 2.446 0.997 ( -7.321 2.868 0.000) 7.863 1.149 ( 1.598 -2.333 0.000) 2.827 1.172 ( 1.995 -1.574 0.000) 2.541 1.174 ( 19.357 9.142 0.000) 21.408 1.224 ( 3.294 1.175 0.000) 3.498 1.232 ( 1.591 1.222 0.000) 2.006 1.275 ( 0.154 2.655 0.000) 2.659 1.334 ( -1.754 -0.355 0.000) 1.789 1.338 ( -0.347 2.759 0.000) 2.781 1.412 ( -2.950 2.676 0.000) 3.983 1.450 ( 3.094 -0.923 0.000) 3.229 1.477 ( 4.317 2.366 0.000) 4.923 1.539 ( 1.599 -1.201 0.000) 2.000 1.570 ( 1.069 -2.435 0.000) 2.660 1.595 ( 2.702 1.059 0.000) 2.902 1.646 ( 1.432 -0.616 0.000) 1.558 1.714 ( -1.573 0.912 0.000) 1.818 1.749 ( -3.108 -0.601 0.000) 3.166 1.897 ( 4.561 -0.415 0.000) 4.580 1.910 ( -11.066 0.650 0.000) 11.085 1.989 ( -0.172 -1.882 0.000) 1.890 3.796 ( -0.690 14.388 0.000) 14.405 3.864 ( -1.332 6.282 0.000) 6.422 4.025 ( 0.236 5.004 0.000) 5.010 4.058 ( -1.122 4.489 0.000) 4.627 4.182 ( 2.050 -1.289 0.000) 2.422 4.263 ( -1.590 -0.847 0.000) 1.801 4.391 ( 0.638 -2.162 0.000) 2.254 4.522 ( -5.244 -2.303 0.000) 5.727 4.673 ( -0.795 -1.132 0.000) 1.383 4.686 ( -1.036 -1.030 0.000) 1.461 4.863 ( 4.360 -3.140 0.000) 5.373 5.058 ( -4.072 -6.937 0.000) 8.044 6.637 ( 2.310 21.785 0.000) 21.907 6.728 ( -1.795 19.052 0.000) 19.137 7.935 ( 10.314 6.301 0.000) 12.087 8.189 ( 1.689 12.050 0.000) 12.168 8.564 ( 12.082 0.448 0.000) 12.090 8.764 ( 3.086 -2.423 0.000) 3.923 8.777 ( 0.611 2.565 0.000) 2.637 9.006 ( -6.499 10.401 0.000) 12.265 9.609 ( 5.972 -3.144 0.000) 6.749 9.689 ( 4.594 -1.399 0.000) 4.802 10.017 ( 9.739 3.045 0.000) 10.204 10.285 ( -3.185 5.096 0.000) 6.009 15.479 ( 11.509 -0.853 0.000) 11.540 15.827 ( -1.858 -0.552 0.000) 1.938 15.871 ( -0.561 -6.406 0.000) 6.430 16.015 ( -3.995 0.306 0.000) 4.007 16.118 ( -5.858 3.476 0.000) 6.811 16.256 ( -4.040 3.111 0.000) 5.099 16.500 ( -1.988 9.485 0.000) 9.691 16.547 ( -3.867 12.180 0.000) 12.779 16.705 ( 8.362 -5.249 0.000) 9.873 16.914 ( 1.988 -4.762 0.000) 5.160 17.007 ( 1.878 5.847 0.000) 6.141 17.060 ( -5.493 1.383 0.000) 5.664 17.201 ( -5.048 14.871 0.000) 15.705 17.328 ( -14.725 12.397 0.000) 19.248 17.950 ( -5.496 18.038 0.000) 18.857 18.003 ( -10.714 17.012 0.000) 20.105 20.025 ( 17.325 -8.716 0.000) 19.394 20.137 ( 17.769 -6.069 0.000) 18.777 20.651 ( 15.994 -7.559 0.000) 17.690 21.288 ( -5.927 -14.473 0.000) 15.640 35.757 ( 2.180 -0.233 0.000) 2.192 35.852 ( -2.140 -0.973 0.000) 2.350 36.052 ( 0.532 -2.154 0.000) 2.219 36.087 ( -1.662 -1.639 0.000) 2.334 36.453 ( 2.969 -7.847 0.000) 8.390 36.496 ( 0.855 -12.838 0.000) 12.866 36.574 ( 3.024 -9.931 0.000) 10.382 36.577 ( 3.041 -9.306 0.000) 9.790 36.906 ( 4.470 11.500 0.000) 12.338 37.039 ( 11.519 11.210 0.000) 16.073 37.211 ( -9.113 15.565 0.000) 18.036 37.656 ( -17.026 9.552 0.000) 19.522 39.366 ( 2.536 -0.905 0.000) 2.693 39.396 ( 1.014 -1.277 0.000) 1.631 39.421 ( 3.149 -1.219 0.000) 3.377 39.501 ( -0.761 -2.462 0.000) 2.577 ======================= Grid point 10 (8/60) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( -7.906 3.720 0.000) 8.738 0.819 ( 7.906 3.720 0.000) 8.738 0.895 ( -5.908 3.769 0.000) 7.008 0.895 ( 5.908 3.769 0.000) 7.008 1.171 ( -0.882 -1.612 0.000) 1.838 1.171 ( 0.882 -1.612 0.000) 1.838 1.262 ( -0.821 0.881 0.000) 1.204 1.262 ( 0.821 0.881 0.000) 1.204 1.288 ( -2.542 0.499 0.000) 2.591 1.288 ( 2.542 0.499 0.000) 2.591 1.356 ( -2.424 3.609 0.000) 4.347 1.356 ( 2.424 3.609 0.000) 4.347 1.456 ( -4.500 1.807 0.000) 4.849 1.456 ( 4.500 1.807 0.000) 4.849 1.564 ( -0.985 -1.651 0.000) 1.922 1.564 ( 0.985 -1.651 0.000) 1.922 1.592 ( -7.361 3.642 0.000) 8.213 1.592 ( 7.361 3.642 0.000) 8.213 1.685 ( -1.038 1.009 0.000) 1.448 1.685 ( 1.038 1.009 0.000) 1.448 1.717 ( -5.065 -1.182 0.000) 5.201 1.717 ( 5.065 -1.182 0.000) 5.201 1.967 ( -2.322 -1.242 0.000) 2.634 1.967 ( 2.322 -1.242 0.000) 2.634 3.826 ( -2.362 8.529 0.000) 8.850 3.826 ( 2.362 8.529 0.000) 8.850 4.036 ( -0.936 4.621 0.000) 4.714 4.036 ( 0.936 4.621 0.000) 4.714 4.225 ( -2.209 -1.201 0.000) 2.514 4.225 ( 2.209 -1.201 0.000) 2.514 4.433 ( -3.551 -2.015 0.000) 4.083 4.433 ( 3.551 -2.015 0.000) 4.083 4.668 ( -0.427 -0.929 0.000) 1.023 4.668 ( 0.427 -0.929 0.000) 1.023 4.960 ( -5.315 -4.716 0.000) 7.105 4.960 ( 5.315 -4.716 0.000) 7.105 6.686 ( -2.435 21.059 0.000) 21.199 6.686 ( 2.435 21.059 0.000) 21.199 8.117 ( -7.468 8.559 0.000) 11.359 8.117 ( 7.468 8.559 0.000) 11.359 8.790 ( -0.184 0.587 0.000) 0.616 8.790 ( 0.184 0.588 0.000) 0.616 8.825 ( -12.134 6.060 0.000) 13.563 8.825 ( 12.134 6.060 0.000) 13.563 9.705 ( -2.784 -4.305 0.000) 5.127 9.705 ( 2.784 -4.305 0.000) 5.127 10.188 ( -6.976 4.394 0.000) 8.244 10.188 ( 6.976 4.394 0.000) 8.244 15.721 ( -11.263 -4.800 0.000) 12.243 15.721 ( 11.263 -4.800 0.000) 12.243 15.881 ( -2.701 -0.306 0.000) 2.718 15.881 ( 2.701 -0.306 0.000) 2.718 16.163 ( -5.058 6.066 0.000) 7.899 16.163 ( 5.058 6.066 0.000) 7.899 16.489 ( -1.211 10.020 0.000) 10.093 16.489 ( 1.211 10.020 0.000) 10.093 16.894 ( -6.102 -9.905 0.000) 11.634 16.894 ( 6.102 -9.905 0.000) 11.634 17.044 ( -7.542 5.570 0.000) 9.376 17.044 ( 7.542 5.570 0.000) 9.376 17.096 ( -4.982 11.472 0.000) 12.507 17.096 ( 4.982 11.472 0.000) 12.507 17.905 ( -0.737 20.909 0.000) 20.922 17.905 ( 0.737 20.909 0.000) 20.922 20.246 ( -4.296 -8.764 0.000) 9.760 20.246 ( 4.296 -8.764 0.000) 9.760 21.031 ( -18.689 -7.692 0.000) 20.210 21.031 ( 18.689 -7.692 0.000) 20.210 35.804 ( -2.574 -0.583 0.000) 2.639 35.804 ( 2.574 -0.583 0.000) 2.639 36.063 ( -0.782 -1.745 0.000) 1.912 36.063 ( 0.782 -1.745 0.000) 1.912 36.496 ( -1.110 -11.034 0.000) 11.089 36.496 ( 1.110 -11.034 0.000) 11.089 36.603 ( -0.148 -9.224 0.000) 9.225 36.603 ( 0.148 -9.224 0.000) 9.225 37.033 ( -8.300 14.057 0.000) 16.324 37.033 ( 8.300 14.057 0.000) 16.324 37.323 ( -16.425 10.097 0.000) 19.281 37.323 ( 16.425 10.097 0.000) 19.281 39.400 ( -0.749 -1.183 0.000) 1.400 39.400 ( 0.749 -1.183 0.000) 1.400 39.474 ( -2.053 -1.651 0.000) 2.634 39.474 ( 2.053 -1.651 0.000) 2.634 ======================= Grid point 14 (9/60) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.603 ( 0.000 14.233 0.000) 14.233 0.633 ( 0.000 14.096 0.000) 14.096 0.968 ( 0.000 18.918 0.000) 18.918 1.017 ( 0.000 -1.179 0.000) 1.179 1.055 ( 0.000 4.902 0.000) 4.902 1.082 ( 0.000 3.182 0.000) 3.182 1.121 ( 0.000 -1.421 0.000) 1.421 1.181 ( 0.000 1.115 0.000) 1.115 1.273 ( 0.000 -1.552 0.000) 1.552 1.278 ( 0.000 -1.703 0.000) 1.703 1.278 ( 0.000 3.450 0.000) 3.450 1.352 ( 0.000 1.543 0.000) 1.543 1.392 ( 0.000 -2.950 0.000) 2.950 1.392 ( 0.000 -4.040 0.000) 4.040 1.448 ( 0.000 1.992 0.000) 1.992 1.499 ( 0.000 1.788 0.000) 1.788 1.508 ( 0.000 -1.033 0.000) 1.033 1.535 ( 0.000 -0.378 0.000) 0.378 1.722 ( 0.000 1.713 0.000) 1.713 1.743 ( 0.000 1.615 0.000) 1.615 1.782 ( 0.000 -1.533 0.000) 1.533 1.797 ( 0.000 2.129 0.000) 2.129 1.922 ( 0.000 -4.109 0.000) 4.109 2.099 ( 0.000 -3.737 0.000) 3.737 4.021 ( 0.000 6.320 0.000) 6.320 4.071 ( 0.000 -0.687 0.000) 0.687 4.103 ( 0.000 6.003 0.000) 6.003 4.214 ( 0.000 4.386 0.000) 4.386 4.255 ( 0.000 -1.096 0.000) 1.096 4.348 ( 0.000 -3.605 0.000) 3.605 4.525 ( 0.000 -4.774 0.000) 4.774 4.631 ( 0.000 -2.026 0.000) 2.026 4.671 ( 0.000 -0.762 0.000) 0.762 4.712 ( 0.000 -1.581 0.000) 1.581 4.718 ( 0.000 -2.607 0.000) 2.607 4.730 ( 0.000 -2.154 0.000) 2.154 7.099 ( 0.000 28.169 0.000) 28.169 7.131 ( 0.000 19.379 0.000) 19.379 7.707 ( 0.000 0.980 0.000) 0.980 8.148 ( 0.000 0.138 0.000) 0.138 8.416 ( 0.000 13.553 0.000) 13.553 8.625 ( 0.000 3.329 0.000) 3.329 8.816 ( 0.000 2.958 0.000) 2.958 9.366 ( 0.000 -3.340 0.000) 3.340 9.619 ( 0.000 21.936 0.000) 21.936 9.632 ( 0.000 7.355 0.000) 7.355 9.828 ( 0.000 1.835 0.000) 1.835 10.436 ( 0.000 4.230 0.000) 4.230 15.276 ( 0.000 2.355 0.000) 2.355 15.682 ( 0.000 -10.250 0.000) 10.250 15.743 ( 0.000 -5.668 0.000) 5.668 15.933 ( 0.000 -12.472 0.000) 12.472 16.338 ( 0.000 -5.748 0.000) 5.748 16.416 ( 0.000 1.046 0.000) 1.046 16.628 ( 0.000 9.482 0.000) 9.482 16.872 ( 0.000 2.845 0.000) 2.845 16.901 ( 0.000 12.429 0.000) 12.429 16.942 ( 0.000 -2.079 0.000) 2.079 16.986 ( 0.000 -1.378 0.000) 1.378 17.404 ( 0.000 9.010 0.000) 9.010 17.884 ( 0.000 27.402 0.000) 27.402 18.248 ( 0.000 33.973 0.000) 33.973 18.631 ( 0.000 10.926 0.000) 10.926 18.748 ( 0.000 4.120 0.000) 4.120 19.111 ( 0.000 0.264 0.000) 0.264 19.396 ( 0.000 -4.659 0.000) 4.659 20.121 ( 0.000 -16.334 0.000) 16.334 20.329 ( 0.000 -8.471 0.000) 8.471 35.724 ( 0.000 0.934 0.000) 0.934 35.864 ( 0.000 -1.412 0.000) 1.412 35.965 ( 0.000 -3.710 0.000) 3.710 36.151 ( 0.000 -0.162 0.000) 0.162 36.168 ( 0.000 -12.631 0.000) 12.631 36.235 ( 0.000 -2.349 0.000) 2.349 36.333 ( 0.000 -2.032 0.000) 2.032 36.350 ( 0.000 -3.181 0.000) 3.181 36.987 ( 0.000 7.874 0.000) 7.874 37.018 ( 0.000 7.384 0.000) 7.384 37.756 ( 0.000 15.140 0.000) 15.140 38.215 ( 0.000 0.138 0.000) 0.138 39.287 ( 0.000 0.501 0.000) 0.501 39.313 ( 0.000 -1.163 0.000) 1.163 39.321 ( 0.000 -2.013 0.000) 2.013 39.426 ( 0.000 -4.819 0.000) 4.819 ======================= Grid point 15 (10/60) ======================= q-point: ( 0.17 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.669 ( 5.876 12.908 0.000) 14.182 0.696 ( 5.872 11.964 0.000) 13.327 1.014 ( 0.204 0.580 0.000) 0.614 1.076 ( 4.399 3.035 0.000) 5.344 1.093 ( 1.207 0.302 0.000) 1.244 1.112 ( 10.071 14.577 0.000) 17.717 1.134 ( -0.232 0.544 0.000) 0.591 1.214 ( 2.577 1.881 0.000) 3.190 1.244 ( -0.549 2.046 0.000) 2.118 1.299 ( 1.592 -0.915 0.000) 1.836 1.337 ( -1.127 -0.069 0.000) 1.129 1.343 ( 4.479 -0.094 0.000) 4.480 1.382 ( -0.292 -0.450 0.000) 0.536 1.417 ( 2.338 -1.382 0.000) 2.716 1.470 ( 1.787 -1.171 0.000) 2.136 1.496 ( -1.063 -0.231 0.000) 1.088 1.522 ( 2.364 1.627 0.000) 2.869 1.557 ( 2.241 0.403 0.000) 2.277 1.656 ( -3.367 0.948 0.000) 3.498 1.770 ( -1.208 -1.038 0.000) 1.593 1.780 ( -1.160 1.043 0.000) 1.560 1.820 ( 4.085 2.308 0.000) 4.692 1.924 ( 0.236 -4.245 0.000) 4.251 2.055 ( -4.431 -2.531 0.000) 5.103 4.012 ( -0.496 6.241 0.000) 6.261 4.088 ( -1.725 6.132 0.000) 6.370 4.096 ( 2.095 -0.095 0.000) 2.098 4.200 ( -1.304 4.086 0.000) 4.290 4.227 ( -3.730 1.386 0.000) 3.979 4.338 ( -0.755 -3.339 0.000) 3.423 4.350 ( -9.906 5.636 0.000) 11.397 4.547 ( -4.009 -4.423 0.000) 5.970 4.666 ( -0.725 -0.894 0.000) 1.152 4.673 ( -0.038 -0.994 0.000) 0.995 4.746 ( 1.542 -2.668 0.000) 3.082 4.886 ( 4.605 -8.435 0.000) 9.610 7.124 ( 2.340 29.424 0.000) 29.516 7.152 ( 2.008 21.613 0.000) 21.706 7.816 ( 10.208 2.171 0.000) 10.436 8.282 ( 12.339 -1.881 0.000) 12.481 8.439 ( 2.309 16.288 0.000) 16.451 8.662 ( 3.644 2.615 0.000) 4.485 8.826 ( 0.649 2.891 0.000) 2.963 9.316 ( -4.860 0.786 0.000) 4.923 9.608 ( -0.467 16.129 0.000) 16.136 9.650 ( 1.449 4.534 0.000) 4.760 9.890 ( 6.196 1.109 0.000) 6.294 10.420 ( -1.632 3.571 0.000) 3.926 15.326 ( 5.043 1.714 0.000) 5.326 15.691 ( 1.130 -9.207 0.000) 9.276 15.746 ( 0.107 -5.737 0.000) 5.738 15.928 ( -0.700 -11.379 0.000) 11.401 16.324 ( -0.435 -2.085 0.000) 2.129 16.477 ( 5.111 -1.646 0.000) 5.370 16.565 ( -8.850 12.837 0.000) 15.592 16.739 ( -6.599 5.233 0.000) 8.422 16.884 ( -0.893 0.704 0.000) 1.137 16.887 ( -1.553 13.661 0.000) 13.749 17.057 ( 2.790 1.932 0.000) 3.394 17.317 ( -8.216 8.525 0.000) 11.840 17.771 ( -10.168 24.951 0.000) 26.943 18.060 ( -19.340 24.681 0.000) 31.356 18.406 ( -10.459 11.413 0.000) 15.481 18.547 ( -12.738 13.362 0.000) 18.461 19.513 ( 15.305 -3.962 0.000) 15.809 19.549 ( 29.718 -0.810 0.000) 29.729 20.204 ( 8.381 -14.319 0.000) 16.591 20.717 ( 23.368 -18.315 0.000) 29.690 35.732 ( 0.877 0.903 0.000) 1.259 35.857 ( -0.705 -1.191 0.000) 1.384 35.973 ( 0.778 -3.800 0.000) 3.879 36.081 ( -3.078 -4.380 0.000) 5.353 36.235 ( 3.116 -8.221 0.000) 8.791 36.312 ( 5.973 -4.834 0.000) 7.684 36.332 ( 0.204 -2.506 0.000) 2.514 36.382 ( 2.451 -4.263 0.000) 4.918 37.022 ( 3.278 8.418 0.000) 9.033 37.065 ( 5.251 7.802 0.000) 9.405 37.683 ( -7.115 14.703 0.000) 16.334 38.087 ( -11.707 2.673 0.000) 12.008 39.307 ( 1.819 -0.110 0.000) 1.822 39.336 ( 1.386 -1.916 0.000) 2.365 39.339 ( 2.433 -1.086 0.000) 2.665 39.432 ( 0.526 -4.398 0.000) 4.429 ======================= Grid point 16 (11/60) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( 6.740 9.958 0.000) 12.025 0.834 ( 7.236 7.834 0.000) 10.665 1.021 ( -0.195 2.134 0.000) 2.143 1.062 ( -4.705 3.492 0.000) 5.859 1.117 ( 1.262 -0.833 0.000) 1.513 1.137 ( 0.953 -1.842 0.000) 2.074 1.251 ( 0.826 1.259 0.000) 1.506 1.266 ( 2.509 2.586 0.000) 3.603 1.304 ( -1.257 0.217 0.000) 1.276 1.319 ( 0.283 0.054 0.000) 0.288 1.376 ( 11.152 8.282 0.000) 13.891 1.385 ( 1.237 0.344 0.000) 1.284 1.433 ( 3.211 0.436 0.000) 3.241 1.456 ( -0.678 2.015 0.000) 2.126 1.493 ( 3.608 -0.329 0.000) 3.623 1.511 ( 2.324 -1.580 0.000) 2.811 1.584 ( 2.747 3.108 0.000) 4.148 1.611 ( 0.177 -2.274 0.000) 2.281 1.616 ( 3.375 0.835 0.000) 3.477 1.736 ( -2.201 -0.160 0.000) 2.206 1.746 ( -2.045 1.964 0.000) 2.835 1.896 ( 3.273 0.444 0.000) 3.303 1.919 ( -5.357 -1.275 0.000) 5.506 1.943 ( -2.346 -1.643 0.000) 2.864 4.007 ( -0.096 7.441 0.000) 7.442 4.033 ( -2.784 9.011 0.000) 9.431 4.140 ( 1.908 1.345 0.000) 2.335 4.150 ( -1.914 6.324 0.000) 6.607 4.173 ( -0.852 2.496 0.000) 2.638 4.255 ( -2.629 0.642 0.000) 2.706 4.336 ( 0.897 -3.246 0.000) 3.367 4.459 ( -4.645 -4.021 0.000) 6.144 4.652 ( -0.588 -0.826 0.000) 1.014 4.664 ( -0.838 -1.015 0.000) 1.316 4.788 ( 2.650 -4.224 0.000) 4.986 4.904 ( -1.811 -8.165 0.000) 8.364 7.177 ( 2.617 31.218 0.000) 31.327 7.195 ( 1.902 26.602 0.000) 26.670 8.060 ( 13.309 5.198 0.000) 14.288 8.417 ( -1.745 6.528 0.000) 6.757 8.623 ( 16.290 8.174 0.000) 18.226 8.751 ( 4.588 1.424 0.000) 4.804 8.837 ( 0.910 3.346 0.000) 3.467 9.184 ( -8.638 4.952 0.000) 9.957 9.611 ( 0.835 6.113 0.000) 6.170 9.667 ( -0.237 -0.394 0.000) 0.460 10.058 ( 10.123 0.160 0.000) 10.124 10.367 ( -4.062 2.028 0.000) 4.540 15.462 ( 8.258 -0.600 0.000) 8.280 15.728 ( -2.631 -6.080 0.000) 6.625 15.733 ( 3.163 -6.912 0.000) 7.601 15.888 ( -3.583 -8.300 0.000) 9.040 16.336 ( 1.617 2.981 0.000) 3.391 16.402 ( -4.277 16.507 0.000) 17.052 16.598 ( 6.897 -4.480 0.000) 8.224 16.683 ( -1.420 8.893 0.000) 9.006 16.822 ( -5.702 15.862 0.000) 16.855 16.826 ( -4.431 -3.842 0.000) 5.865 17.149 ( 6.347 6.635 0.000) 9.182 17.161 ( -4.353 8.989 0.000) 9.987 17.557 ( -10.486 19.539 0.000) 22.175 17.621 ( -21.310 17.509 0.000) 27.580 18.295 ( -2.016 13.887 0.000) 14.033 18.376 ( -5.756 17.575 0.000) 18.493 19.853 ( 15.887 -5.988 0.000) 16.978 20.002 ( 12.710 -5.968 0.000) 14.041 20.474 ( 19.277 -9.807 0.000) 21.628 20.976 ( 2.389 -16.617 0.000) 16.788 35.758 ( 1.756 0.577 0.000) 1.848 35.834 ( -1.616 -0.636 0.000) 1.736 35.991 ( 0.929 -3.838 0.000) 3.948 36.035 ( -1.721 -4.053 0.000) 4.403 36.293 ( 2.615 -7.149 0.000) 7.613 36.338 ( 0.178 -3.910 0.000) 3.914 36.407 ( 3.264 -6.869 0.000) 7.605 36.427 ( 1.722 -6.061 0.000) 6.301 37.118 ( 6.728 9.844 0.000) 11.923 37.231 ( 11.420 8.011 0.000) 13.950 37.499 ( -10.820 13.359 0.000) 17.191 37.808 ( -15.718 5.496 0.000) 16.651 39.346 ( 1.902 -0.963 0.000) 2.132 39.365 ( 1.170 -1.713 0.000) 2.075 39.396 ( 2.831 -1.318 0.000) 3.123 39.442 ( 0.324 -3.319 0.000) 3.334 ======================= Grid point 17 (12/60) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( -3.155 5.698 0.000) 6.514 0.916 ( 3.155 5.698 0.000) 6.514 0.989 ( -1.327 5.560 0.000) 5.716 0.989 ( 1.327 5.560 0.000) 5.716 1.138 ( -0.798 -1.736 0.000) 1.911 1.138 ( 0.798 -1.736 0.000) 1.911 1.273 ( -1.515 0.296 0.000) 1.544 1.273 ( 1.515 0.296 0.000) 1.544 1.304 ( -1.341 1.213 0.000) 1.808 1.304 ( 1.341 1.213 0.000) 1.808 1.421 ( -2.164 2.444 0.000) 3.264 1.421 ( 2.164 2.444 0.000) 3.264 1.463 ( -0.138 -1.525 0.000) 1.531 1.463 ( 0.138 -1.525 0.000) 1.531 1.550 ( -1.058 0.793 0.000) 1.323 1.550 ( 1.058 0.793 0.000) 1.323 1.645 ( -2.466 -0.770 0.000) 2.583 1.645 ( 2.466 -0.770 0.000) 2.583 1.707 ( -0.369 1.234 0.000) 1.288 1.707 ( 0.369 1.234 0.000) 1.288 1.733 ( -10.055 4.554 0.000) 11.038 1.733 ( 10.055 4.554 0.000) 11.038 1.938 ( -0.850 -1.553 0.000) 1.771 1.938 ( 0.850 -1.553 0.000) 1.771 4.007 ( -0.253 8.889 0.000) 8.893 4.007 ( 0.253 8.889 0.000) 8.893 4.140 ( -0.479 5.281 0.000) 5.303 4.140 ( 0.479 5.281 0.000) 5.303 4.203 ( -2.688 -0.760 0.000) 2.794 4.203 ( 2.688 -0.760 0.000) 2.794 4.378 ( -3.344 -3.463 0.000) 4.814 4.378 ( 3.344 -3.463 0.000) 4.814 4.649 ( -0.411 -0.836 0.000) 0.932 4.649 ( 0.411 -0.836 0.000) 0.932 4.848 ( -3.294 -6.272 0.000) 7.085 4.848 ( 3.294 -6.272 0.000) 7.085 7.210 ( -0.537 30.541 0.000) 30.546 7.210 ( 0.537 30.541 0.000) 30.546 8.297 ( -9.879 8.069 0.000) 12.756 8.297 ( 9.879 8.069 0.000) 12.756 8.805 ( -0.024 1.406 0.000) 1.406 8.805 ( 0.024 1.406 0.000) 1.406 8.969 ( -12.891 6.693 0.000) 14.524 8.969 ( 12.891 6.693 0.000) 14.524 9.641 ( -1.920 -0.511 0.000) 1.987 9.641 ( 1.920 -0.511 0.000) 1.987 10.247 ( -8.251 0.483 0.000) 8.265 10.247 ( 8.251 0.483 0.000) 8.265 15.625 ( -7.545 -4.351 0.000) 8.710 15.625 ( 7.545 -4.351 0.000) 8.710 15.807 ( -4.141 -5.546 0.000) 6.921 15.807 ( 4.141 -5.546 0.000) 6.921 16.370 ( -1.135 10.657 0.000) 10.717 16.370 ( 1.135 10.657 0.000) 10.717 16.695 ( -2.934 8.367 0.000) 8.867 16.695 ( 2.934 8.367 0.000) 8.867 16.733 ( -4.392 -2.027 0.000) 4.837 16.733 ( 4.392 -2.027 0.000) 4.837 17.201 ( -5.438 9.186 0.000) 10.674 17.201 ( 5.438 9.186 0.000) 10.674 17.392 ( -3.414 17.749 0.000) 18.074 17.392 ( 3.414 17.749 0.000) 18.074 18.299 ( -2.171 15.989 0.000) 16.136 18.299 ( 2.171 15.989 0.000) 16.136 20.065 ( -4.711 -7.108 0.000) 8.527 20.065 ( 4.711 -7.108 0.000) 8.527 20.842 ( -14.761 -11.184 0.000) 18.519 20.842 ( 14.761 -11.184 0.000) 18.519 35.797 ( -2.057 0.020 0.000) 2.057 35.797 ( 2.057 0.020 0.000) 2.057 36.009 ( -0.979 -3.809 0.000) 3.933 36.009 ( 0.979 -3.809 0.000) 3.933 36.330 ( -1.092 -5.694 0.000) 5.798 36.330 ( 1.092 -5.694 0.000) 5.798 36.441 ( -0.377 -6.917 0.000) 6.927 36.441 ( 0.377 -6.917 0.000) 6.927 37.287 ( -10.171 11.623 0.000) 15.445 37.287 ( 10.171 11.623 0.000) 15.445 37.498 ( -15.253 7.102 0.000) 16.825 37.498 ( 15.253 7.102 0.000) 16.825 39.372 ( -0.527 -1.435 0.000) 1.528 39.372 ( 0.527 -1.435 0.000) 1.528 39.436 ( -1.115 -2.131 0.000) 2.405 39.436 ( 1.115 -2.131 0.000) 2.405 ======================= Grid point 21 (13/60) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( 0.000 11.891 0.000) 11.891 0.865 ( 0.000 9.448 0.000) 9.448 1.019 ( 0.000 1.362 0.000) 1.362 1.080 ( 0.000 -2.807 0.000) 2.807 1.084 ( 0.000 0.412 0.000) 0.412 1.151 ( 0.000 3.641 0.000) 3.641 1.200 ( 0.000 -4.663 0.000) 4.663 1.207 ( 0.000 1.300 0.000) 1.300 1.245 ( 0.000 -1.194 0.000) 1.194 1.299 ( 0.000 9.494 0.000) 9.494 1.314 ( 0.000 -3.713 0.000) 3.713 1.345 ( 0.000 3.012 0.000) 3.012 1.356 ( 0.000 -0.528 0.000) 0.528 1.362 ( 0.000 -0.211 0.000) 0.211 1.459 ( 0.000 -1.319 0.000) 1.319 1.493 ( 0.000 -2.021 0.000) 2.021 1.545 ( 0.000 5.738 0.000) 5.738 1.560 ( 0.000 3.563 0.000) 3.563 1.745 ( 0.000 -1.280 0.000) 1.280 1.757 ( 0.000 1.994 0.000) 1.994 1.775 ( 0.000 -0.502 0.000) 0.502 1.829 ( 0.000 -3.461 0.000) 3.461 1.831 ( 0.000 0.243 0.000) 0.243 2.005 ( 0.000 -5.762 0.000) 5.762 4.064 ( 0.000 0.211 0.000) 0.211 4.094 ( 0.000 0.826 0.000) 0.826 4.225 ( 0.000 5.926 0.000) 5.926 4.250 ( 0.000 0.689 0.000) 0.689 4.285 ( 0.000 2.549 0.000) 2.549 4.307 ( 0.000 -0.367 0.000) 0.367 4.433 ( 0.000 -3.806 0.000) 3.806 4.561 ( 0.000 -5.542 0.000) 5.542 4.664 ( 0.000 0.087 0.000) 0.087 4.676 ( 0.000 -1.094 0.000) 1.094 4.686 ( 0.000 -1.071 0.000) 1.071 4.694 ( 0.000 -1.465 0.000) 1.465 7.442 ( 0.000 11.724 0.000) 11.724 7.593 ( 0.000 20.967 0.000) 20.967 7.687 ( 0.000 -2.869 0.000) 2.869 8.056 ( 0.000 -6.447 0.000) 6.447 8.746 ( 0.000 15.201 0.000) 15.201 8.796 ( 0.000 13.311 0.000) 13.311 8.892 ( 0.000 4.217 0.000) 4.217 9.272 ( 0.000 -7.065 0.000) 7.065 9.728 ( 0.000 2.749 0.000) 2.749 9.826 ( 0.000 -2.015 0.000) 2.015 10.024 ( 0.000 18.889 0.000) 18.889 10.461 ( 0.000 -2.428 0.000) 2.428 15.330 ( 0.000 3.277 0.000) 3.277 15.515 ( 0.000 -6.905 0.000) 6.905 15.652 ( 0.000 -3.180 0.000) 3.180 15.732 ( 0.000 -7.818 0.000) 7.818 16.278 ( 0.000 -0.509 0.000) 0.509 16.385 ( 0.000 -3.621 0.000) 3.621 16.768 ( 0.000 4.543 0.000) 4.543 16.885 ( 0.000 -3.353 0.000) 3.353 16.930 ( 0.000 2.820 0.000) 2.820 16.971 ( 0.000 -0.038 0.000) 0.038 17.179 ( 0.000 15.295 0.000) 15.295 17.529 ( 0.000 2.017 0.000) 2.017 18.334 ( 0.000 17.972 0.000) 17.972 18.745 ( 0.000 -0.549 0.000) 0.549 18.844 ( 0.000 22.037 0.000) 22.037 18.855 ( 0.000 6.472 0.000) 6.472 19.216 ( 0.000 11.296 0.000) 11.296 19.368 ( 0.000 5.543 0.000) 5.543 19.800 ( 0.000 -15.972 0.000) 15.972 20.092 ( 0.000 -16.176 0.000) 16.176 35.754 ( 0.000 2.361 0.000) 2.361 35.847 ( 0.000 -0.188 0.000) 0.188 35.900 ( 0.000 -2.837 0.000) 2.837 35.955 ( 0.000 -8.775 0.000) 8.775 36.153 ( 0.000 0.421 0.000) 0.421 36.198 ( 0.000 -1.726 0.000) 1.726 36.303 ( 0.000 -1.049 0.000) 1.049 36.306 ( 0.000 -1.412 0.000) 1.412 37.116 ( 0.000 4.893 0.000) 4.893 37.132 ( 0.000 4.053 0.000) 4.053 38.002 ( 0.000 9.944 0.000) 9.944 38.204 ( 0.000 -1.507 0.000) 1.507 39.289 ( 0.000 -1.042 0.000) 1.042 39.294 ( 0.000 0.151 0.000) 0.151 39.297 ( 0.000 -0.465 0.000) 0.465 39.339 ( 0.000 -3.752 0.000) 3.752 ======================= Grid point 22 (14/60) ======================= q-point: ( 0.17 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( 3.114 8.315 0.000) 8.879 0.908 ( 4.241 11.182 0.000) 11.959 1.027 ( 0.914 1.317 0.000) 1.603 1.073 ( 0.212 -2.039 0.000) 2.050 1.096 ( 0.981 -0.126 0.000) 0.989 1.163 ( 0.033 2.290 0.000) 2.290 1.243 ( 3.472 -4.474 0.000) 5.663 1.249 ( 2.639 0.473 0.000) 2.681 1.267 ( 2.518 1.071 0.000) 2.736 1.326 ( -0.324 1.485 0.000) 1.520 1.328 ( 0.625 -0.930 0.000) 1.120 1.364 ( 3.357 3.851 0.000) 5.109 1.382 ( 4.551 0.244 0.000) 4.557 1.398 ( 3.822 1.212 0.000) 4.010 1.450 ( -0.587 -1.276 0.000) 1.404 1.516 ( 1.746 -0.992 0.000) 2.008 1.546 ( 0.620 5.220 0.000) 5.257 1.583 ( 2.156 2.880 0.000) 3.598 1.676 ( -3.831 0.477 0.000) 3.860 1.785 ( 0.461 2.655 0.000) 2.695 1.791 ( 0.481 0.811 0.000) 0.943 1.820 ( -0.259 -5.939 0.000) 5.945 1.857 ( 2.499 0.323 0.000) 2.519 1.985 ( -2.058 -4.675 0.000) 5.108 4.077 ( 1.382 0.971 0.000) 1.688 4.112 ( 1.596 0.808 0.000) 1.789 4.206 ( -1.711 5.520 0.000) 5.779 4.241 ( -0.953 1.058 0.000) 1.424 4.264 ( -1.703 2.197 0.000) 2.780 4.297 ( -0.958 -0.393 0.000) 1.035 4.390 ( -4.316 -1.047 0.000) 4.442 4.469 ( -5.658 -3.451 0.000) 6.627 4.660 ( -0.550 0.261 0.000) 0.608 4.663 ( -0.258 -0.037 0.000) 0.260 4.700 ( 0.490 -1.945 0.000) 2.006 4.750 ( 2.440 -5.368 0.000) 5.896 7.513 ( 6.817 14.314 0.000) 15.854 7.655 ( 5.578 23.391 0.000) 24.047 7.811 ( 11.769 -2.719 0.000) 12.079 8.182 ( 11.476 -6.650 0.000) 13.264 8.773 ( 2.434 13.895 0.000) 14.106 8.806 ( 1.020 11.731 0.000) 11.775 8.890 ( -0.230 3.486 0.000) 3.494 9.247 ( -2.546 -6.641 0.000) 7.113 9.717 ( -1.019 2.728 0.000) 2.912 9.869 ( 4.491 -3.266 0.000) 5.553 9.969 ( -5.096 18.291 0.000) 18.988 10.427 ( -3.382 -3.529 0.000) 4.888 15.369 ( 3.802 2.769 0.000) 4.703 15.540 ( 2.519 -6.381 0.000) 6.861 15.656 ( 0.159 -2.967 0.000) 2.971 15.741 ( 0.645 -7.439 0.000) 7.467 16.299 ( 2.284 0.322 0.000) 2.307 16.421 ( 3.501 -4.102 0.000) 5.393 16.765 ( -6.149 5.557 0.000) 8.288 16.797 ( 0.318 1.970 0.000) 1.995 16.894 ( -2.851 2.372 0.000) 3.709 17.072 ( 6.538 -1.054 0.000) 6.622 17.185 ( 0.424 15.819 0.000) 15.825 17.466 ( -6.105 4.809 0.000) 7.771 18.188 ( -13.582 16.601 0.000) 21.449 18.445 ( -25.196 15.609 0.000) 29.639 18.516 ( -11.398 -0.430 0.000) 11.406 18.766 ( -12.907 4.298 0.000) 13.604 19.580 ( 17.918 13.437 0.000) 22.396 19.595 ( 25.358 5.600 0.000) 25.969 19.941 ( 13.324 -11.953 0.000) 17.900 20.369 ( 19.328 -18.767 0.000) 26.940 35.762 ( 0.772 2.327 0.000) 2.452 35.845 ( -0.275 0.021 0.000) 0.276 35.905 ( 0.498 -3.025 0.000) 3.066 35.947 ( -0.673 -7.407 0.000) 7.437 36.173 ( 2.003 -0.094 0.000) 2.005 36.238 ( 3.331 -3.007 0.000) 4.488 36.300 ( -0.143 -0.893 0.000) 0.904 36.321 ( 1.000 -2.121 0.000) 2.345 37.157 ( 4.061 5.161 0.000) 6.567 37.182 ( 5.345 3.983 0.000) 6.666 37.921 ( -7.878 9.619 0.000) 12.433 38.106 ( -9.362 -0.649 0.000) 9.384 39.305 ( 1.313 0.071 0.000) 1.315 39.306 ( 1.560 -0.964 0.000) 1.834 39.323 ( 2.205 -0.660 0.000) 2.301 39.352 ( 1.281 -3.421 0.000) 3.653 ======================= Grid point 23 (15/60) ======================= q-point: ( 0.33 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( 3.601 5.619 0.000) 6.674 0.987 ( 3.050 7.993 0.000) 8.555 1.058 ( 2.054 2.216 0.000) 3.022 1.087 ( 0.842 -1.613 0.000) 1.820 1.113 ( 0.598 0.439 0.000) 0.742 1.149 ( -1.330 3.851 0.000) 4.074 1.277 ( 0.859 0.764 0.000) 1.150 1.296 ( 1.098 -1.260 0.000) 1.671 1.310 ( 0.738 1.076 0.000) 1.305 1.313 ( -0.235 -0.229 0.000) 0.328 1.361 ( 2.694 -0.464 0.000) 2.734 1.399 ( 0.767 -2.847 0.000) 2.948 1.445 ( 0.217 -0.805 0.000) 0.834 1.483 ( 4.526 -1.469 0.000) 4.758 1.497 ( 0.761 1.903 0.000) 2.050 1.548 ( 3.330 -0.030 0.000) 3.330 1.588 ( 1.578 2.740 0.000) 3.162 1.632 ( 2.319 1.873 0.000) 2.981 1.635 ( 2.600 1.478 0.000) 2.991 1.759 ( -2.333 1.296 0.000) 2.669 1.793 ( 0.219 3.401 0.000) 3.408 1.854 ( 2.597 -2.906 0.000) 3.897 1.904 ( 1.758 -0.293 0.000) 1.783 1.929 ( -3.409 -1.439 0.000) 3.701 4.117 ( 2.466 2.949 0.000) 3.844 4.149 ( 2.085 1.146 0.000) 2.379 4.171 ( -1.522 5.535 0.000) 5.740 4.218 ( -1.040 1.769 0.000) 2.052 4.232 ( -1.374 2.012 0.000) 2.436 4.281 ( -0.220 -1.808 0.000) 1.822 4.294 ( -4.666 1.858 0.000) 5.022 4.375 ( -4.188 -4.265 0.000) 5.977 4.648 ( -0.574 0.513 0.000) 0.769 4.653 ( -0.683 -0.020 0.000) 0.684 4.713 ( 0.872 -3.238 0.000) 3.353 4.762 ( -0.813 -5.983 0.000) 6.038 7.674 ( 8.295 20.814 0.000) 22.406 7.766 ( 4.416 27.503 0.000) 27.855 8.098 ( 15.851 -1.866 0.000) 15.961 8.408 ( 7.695 -5.607 0.000) 9.521 8.819 ( 1.910 8.088 0.000) 8.311 8.834 ( 1.614 7.318 0.000) 7.494 8.902 ( 2.719 2.898 0.000) 3.974 9.167 ( -5.826 -5.293 0.000) 7.872 9.701 ( -0.023 4.615 0.000) 4.616 9.849 ( -6.572 15.575 0.000) 16.905 10.001 ( 8.581 -6.059 0.000) 10.504 10.332 ( -6.269 -5.953 0.000) 8.645 15.467 ( 5.678 1.345 0.000) 5.836 15.611 ( 4.392 -5.619 0.000) 7.131 15.642 ( -1.970 -2.239 0.000) 2.982 15.741 ( -1.006 -6.474 0.000) 6.552 16.375 ( 5.474 1.914 0.000) 5.799 16.511 ( 5.349 -4.509 0.000) 6.996 16.632 ( -6.293 6.411 0.000) 8.984 16.760 ( -6.294 -2.948 0.000) 6.950 16.887 ( 3.879 12.616 0.000) 13.199 17.160 ( -4.994 17.012 0.000) 17.730 17.217 ( 7.887 -0.533 0.000) 7.905 17.347 ( -3.003 8.040 0.000) 8.583 17.905 ( -12.975 15.567 0.000) 20.265 17.985 ( -19.439 19.073 0.000) 27.233 18.388 ( -2.331 -4.835 0.000) 5.367 18.537 ( -9.426 -2.798 0.000) 9.832 19.913 ( 13.777 12.981 0.000) 18.929 19.978 ( 11.841 4.067 0.000) 12.520 20.289 ( 20.002 -9.085 0.000) 21.968 20.642 ( 6.498 -18.055 0.000) 19.188 35.783 ( 1.314 2.044 0.000) 2.430 35.834 ( -0.907 0.638 0.000) 1.109 35.916 ( 0.583 -3.540 0.000) 3.588 35.935 ( -0.510 -5.523 0.000) 5.546 36.223 ( 2.726 -0.770 0.000) 2.833 36.293 ( -0.670 -0.934 0.000) 1.149 36.301 ( 2.620 -4.204 0.000) 4.954 36.337 ( 0.503 -3.254 0.000) 3.292 37.277 ( 8.195 6.241 0.000) 10.301 37.341 ( 10.657 3.230 0.000) 11.135 37.716 ( -12.151 8.778 0.000) 14.990 37.869 ( -13.975 0.787 0.000) 13.997 39.336 ( 1.505 0.024 0.000) 1.505 39.339 ( 1.481 -0.698 0.000) 1.637 39.370 ( 2.161 -1.308 0.000) 2.526 39.381 ( 1.392 -2.684 0.000) 3.024 ======================= Grid point 24 (16/60) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( -0.444 3.898 0.000) 3.923 1.015 ( 0.444 3.898 0.000) 3.923 1.090 ( -0.838 1.320 0.000) 1.563 1.090 ( 0.838 1.320 0.000) 1.563 1.123 ( -0.836 3.797 0.000) 3.888 1.123 ( 0.836 3.797 0.000) 3.888 1.291 ( -0.646 1.742 0.000) 1.858 1.291 ( 0.646 1.742 0.000) 1.858 1.316 ( -0.108 -0.807 0.000) 0.814 1.316 ( 0.108 -0.807 0.000) 0.814 1.400 ( -0.857 -3.225 0.000) 3.337 1.400 ( 0.857 -3.225 0.000) 3.337 1.465 ( -2.033 1.309 0.000) 2.418 1.465 ( 2.033 1.309 0.000) 2.418 1.546 ( -1.975 -2.146 0.000) 2.917 1.546 ( 1.975 -2.146 0.000) 2.917 1.640 ( -2.103 1.651 0.000) 2.674 1.640 ( 2.103 1.651 0.000) 2.674 1.716 ( -2.444 -0.511 0.000) 2.497 1.716 ( 2.444 -0.511 0.000) 2.497 1.830 ( -3.959 4.245 0.000) 5.805 1.830 ( 3.959 4.245 0.000) 5.805 1.913 ( -0.910 -1.052 0.000) 1.391 1.913 ( 0.910 -1.052 0.000) 1.391 4.151 ( -0.848 5.705 0.000) 5.768 4.151 ( 0.848 5.705 0.000) 5.768 4.200 ( -2.237 0.909 0.000) 2.415 4.200 ( 2.237 0.909 0.000) 2.415 4.220 ( -1.315 2.144 0.000) 2.516 4.220 ( 1.315 2.144 0.000) 2.516 4.305 ( -2.687 -3.788 0.000) 4.644 4.305 ( 2.687 -3.788 0.000) 4.644 4.643 ( -0.176 0.300 0.000) 0.348 4.643 ( 0.176 0.300 0.000) 0.348 4.736 ( -1.466 -4.829 0.000) 5.047 4.736 ( 1.466 -4.829 0.000) 5.047 7.789 ( -2.546 27.028 0.000) 27.148 7.789 ( 2.546 27.028 0.000) 27.148 8.372 ( -10.214 -1.554 0.000) 10.331 8.372 ( 10.214 -1.554 0.000) 10.331 8.852 ( -0.410 3.582 0.000) 3.606 8.852 ( 0.410 3.582 0.000) 3.606 9.020 ( -8.370 -1.687 0.000) 8.538 9.020 ( 8.370 -1.687 0.000) 8.538 9.738 ( -4.038 10.226 0.000) 10.994 9.738 ( 4.038 10.226 0.000) 10.994 10.180 ( -8.957 -7.405 0.000) 11.622 10.180 ( 8.957 -7.405 0.000) 11.622 15.574 ( -4.782 -0.592 0.000) 4.819 15.574 ( 4.782 -0.592 0.000) 4.819 15.695 ( -3.639 -5.637 0.000) 6.710 15.695 ( 3.639 -5.637 0.000) 6.710 16.504 ( -7.020 3.945 0.000) 8.053 16.504 ( 7.020 3.945 0.000) 8.053 16.626 ( -6.443 -3.710 0.000) 7.434 16.626 ( 6.443 -3.710 0.000) 7.434 17.008 ( -8.082 16.482 0.000) 18.357 17.008 ( 8.082 16.482 0.000) 18.357 17.334 ( -2.214 2.801 0.000) 3.570 17.334 ( 2.214 2.801 0.000) 3.570 17.761 ( -1.285 19.787 0.000) 19.829 17.761 ( 1.285 19.787 0.000) 19.829 18.405 ( -3.884 -5.960 0.000) 7.113 18.405 ( 3.884 -5.960 0.000) 7.113 20.073 ( -1.913 8.584 0.000) 8.795 20.073 ( 1.913 8.584 0.000) 8.795 20.604 ( -10.038 -13.283 0.000) 16.649 20.604 ( 10.038 -13.283 0.000) 16.649 35.810 ( -1.372 1.423 0.000) 1.976 35.810 ( 1.372 1.423 0.000) 1.976 35.926 ( -0.414 -4.308 0.000) 4.327 35.926 ( 0.414 -4.308 0.000) 4.327 36.269 ( -1.834 -1.009 0.000) 2.093 36.269 ( 1.834 -1.009 0.000) 2.093 36.335 ( -0.850 -4.092 0.000) 4.179 36.335 ( 0.850 -4.092 0.000) 4.179 37.475 ( -11.700 7.596 0.000) 13.950 37.475 ( 11.700 7.596 0.000) 13.950 37.588 ( -13.965 2.047 0.000) 14.115 37.588 ( 13.965 2.047 0.000) 14.115 39.354 ( -0.096 -0.270 0.000) 0.287 39.354 ( 0.096 -0.270 0.000) 0.287 39.395 ( -0.241 -1.975 0.000) 1.990 39.395 ( 0.241 -1.975 0.000) 1.990 ======================= Grid point 28 (17/60) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( 0.000 -5.210 0.000) 5.210 1.004 ( 0.000 5.210 0.000) 5.210 1.048 ( 0.000 -5.045 0.000) 5.045 1.048 ( 0.000 5.045 0.000) 5.045 1.074 ( 0.000 -6.185 0.000) 6.185 1.074 ( 0.000 6.185 0.000) 6.185 1.206 ( 0.000 -1.759 0.000) 1.759 1.206 ( 0.000 1.759 0.000) 1.759 1.254 ( 0.000 -2.322 0.000) 2.322 1.254 ( 0.000 2.322 0.000) 2.322 1.351 ( 0.000 -0.674 0.000) 0.674 1.351 ( 0.000 0.674 0.000) 0.674 1.406 ( 0.000 -3.423 0.000) 3.423 1.406 ( 0.000 3.423 0.000) 3.423 1.430 ( 0.000 -4.352 0.000) 4.352 1.430 ( 0.000 4.352 0.000) 4.352 1.669 ( 0.000 -6.924 0.000) 6.924 1.669 ( 0.000 6.924 0.000) 6.924 1.681 ( 0.000 -5.826 0.000) 5.826 1.681 ( 0.000 5.826 0.000) 5.826 1.802 ( 0.000 -2.494 0.000) 2.494 1.802 ( 0.000 2.494 0.000) 2.494 1.887 ( 0.000 -5.851 0.000) 5.851 1.887 ( 0.000 5.851 0.000) 5.851 4.080 ( 0.000 -1.301 0.000) 1.301 4.080 ( 0.000 1.301 0.000) 1.301 4.276 ( 0.000 -1.102 0.000) 1.102 4.276 ( 0.000 1.102 0.000) 1.102 4.310 ( 0.000 -0.145 0.000) 0.145 4.310 ( 0.000 0.146 0.000) 0.146 4.443 ( 0.000 -5.246 0.000) 5.246 4.443 ( 0.000 5.246 0.000) 5.246 4.671 ( 0.000 -0.395 0.000) 0.395 4.671 ( 0.000 0.395 0.000) 0.395 4.673 ( 0.000 -0.764 0.000) 0.764 4.673 ( 0.000 0.764 0.000) 0.764 7.603 ( 0.000 -5.790 0.000) 5.790 7.603 ( 0.000 5.791 0.000) 5.791 7.897 ( 0.000 -10.869 0.000) 10.869 7.897 ( 0.000 10.869 0.000) 10.869 8.926 ( 0.000 -2.691 0.000) 2.691 8.926 ( 0.000 2.691 0.000) 2.691 9.073 ( 0.000 -13.234 0.000) 13.234 9.073 ( 0.000 13.234 0.000) 13.234 9.772 ( 0.000 -2.624 0.000) 2.624 9.772 ( 0.000 2.624 0.000) 2.624 10.326 ( 0.000 -11.515 0.000) 11.515 10.326 ( 0.000 11.515 0.000) 11.515 15.406 ( 0.000 -4.584 0.000) 4.584 15.406 ( 0.000 4.584 0.000) 4.584 15.636 ( 0.000 -1.931 0.000) 1.931 15.636 ( 0.000 1.931 0.000) 1.931 16.310 ( 0.000 -3.314 0.000) 3.314 16.310 ( 0.000 3.314 0.000) 3.314 16.827 ( 0.000 -2.499 0.000) 2.499 16.827 ( 0.000 2.499 0.000) 2.499 16.968 ( 0.000 -0.865 0.000) 0.865 16.968 ( 0.000 0.865 0.000) 0.865 17.444 ( 0.000 -10.315 0.000) 10.315 17.444 ( 0.000 10.315 0.000) 10.315 18.615 ( 0.000 -11.459 0.000) 11.459 18.615 ( 0.000 11.459 0.000) 11.459 18.969 ( 0.000 -3.763 0.000) 3.763 18.969 ( 0.000 3.763 0.000) 3.763 19.497 ( 0.000 -15.588 0.000) 15.588 19.497 ( 0.000 15.588 0.000) 15.588 19.703 ( 0.000 -22.756 0.000) 22.756 19.703 ( 0.000 22.756 0.000) 22.756 35.823 ( 0.000 -4.944 0.000) 4.944 35.823 ( 0.000 4.944 0.000) 4.944 35.858 ( 0.000 -1.367 0.000) 1.367 35.858 ( 0.000 1.367 0.000) 1.367 36.169 ( 0.000 -1.179 0.000) 1.179 36.169 ( 0.000 1.179 0.000) 1.179 36.293 ( 0.000 -0.024 0.000) 0.024 36.293 ( 0.000 0.024 0.000) 0.024 37.168 ( 0.000 -0.410 0.000) 0.410 37.168 ( 0.000 0.410 0.000) 0.410 38.144 ( 0.000 -4.915 0.000) 4.915 38.144 ( 0.000 4.915 0.000) 4.915 39.289 ( 0.000 -1.248 0.000) 1.248 39.289 ( 0.000 1.248 0.000) 1.248 39.294 ( 0.000 -0.028 0.000) 0.028 39.294 ( 0.000 0.028 0.000) 0.028 ======================= Grid point 30 (18/60) ======================= q-point: ( 0.17 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( 1.253 -4.067 0.000) 4.256 1.016 ( 1.253 4.067 0.000) 4.256 1.051 ( 0.518 -2.044 0.000) 2.109 1.051 ( 0.518 2.044 0.000) 2.109 1.125 ( 4.213 -6.862 0.000) 8.052 1.125 ( 4.213 6.862 0.000) 8.052 1.213 ( 0.630 -2.697 0.000) 2.770 1.213 ( 0.630 2.697 0.000) 2.770 1.306 ( 4.141 -1.709 0.000) 4.480 1.306 ( 4.141 1.709 0.000) 4.480 1.349 ( -0.201 -1.562 0.000) 1.575 1.349 ( -0.201 1.562 0.000) 1.575 1.406 ( 0.363 -2.551 0.000) 2.577 1.406 ( 0.363 2.551 0.000) 2.577 1.471 ( 3.589 -3.209 0.000) 4.814 1.471 ( 3.589 3.209 0.000) 4.814 1.653 ( -2.165 -3.441 0.000) 4.066 1.653 ( -2.165 3.441 0.000) 4.066 1.683 ( 1.323 -6.761 0.000) 6.890 1.683 ( 1.323 6.761 0.000) 6.890 1.827 ( 2.087 -2.629 0.000) 3.357 1.827 ( 2.087 2.629 0.000) 3.357 1.880 ( -0.516 -5.642 0.000) 5.666 1.880 ( -0.516 5.642 0.000) 5.666 4.099 ( 1.841 -1.366 0.000) 2.293 4.099 ( 1.841 1.366 0.000) 2.293 4.263 ( -1.170 -0.734 0.000) 1.381 4.263 ( -1.170 0.734 0.000) 1.381 4.293 ( -1.511 -0.795 0.000) 1.707 4.293 ( -1.511 0.795 0.000) 1.707 4.398 ( -3.906 -3.243 0.000) 5.077 4.398 ( -3.906 3.243 0.000) 5.077 4.672 ( -0.178 -0.938 0.000) 0.955 4.672 ( -0.178 0.938 0.000) 0.955 4.680 ( 0.410 -2.022 0.000) 2.063 4.680 ( 0.410 2.022 0.000) 2.063 7.715 ( 10.700 -7.217 0.000) 12.907 7.715 ( 10.700 7.217 0.000) 12.907 8.004 ( 9.726 -12.667 0.000) 15.970 8.004 ( 9.726 12.667 0.000) 15.970 8.924 ( -0.298 -1.712 0.000) 1.738 8.924 ( -0.298 1.712 0.000) 1.738 9.059 ( -1.448 -12.429 0.000) 12.513 9.059 ( -1.448 12.429 0.000) 12.513 9.784 ( 1.432 -4.508 0.000) 4.730 9.784 ( 1.432 4.508 0.000) 4.730 10.273 ( -5.103 -12.167 0.000) 13.193 10.273 ( -5.103 12.167 0.000) 13.194 15.437 ( 3.105 -4.293 0.000) 5.299 15.437 ( 3.105 4.293 0.000) 5.299 15.646 ( 0.711 -2.162 0.000) 2.276 15.646 ( 0.711 2.162 0.000) 2.276 16.340 ( 3.079 -3.616 0.000) 4.749 16.340 ( 3.079 3.616 0.000) 4.749 16.802 ( -2.926 -0.915 0.000) 3.066 16.802 ( -2.926 0.915 0.000) 3.066 17.003 ( 3.818 -5.851 0.000) 6.986 17.003 ( 3.818 5.851 0.000) 6.986 17.437 ( -0.885 -8.257 0.000) 8.305 17.437 ( -0.886 8.257 0.000) 8.305 18.422 ( -14.520 -8.332 0.000) 16.741 18.422 ( -14.520 8.332 0.000) 16.741 18.692 ( -20.304 -9.560 0.000) 22.442 18.692 ( -20.304 9.560 0.000) 22.442 19.742 ( 19.605 -8.887 0.000) 21.525 19.742 ( 19.605 8.887 0.000) 21.525 19.966 ( 18.665 -22.286 0.000) 29.070 19.966 ( 18.665 22.286 0.000) 29.070 35.828 ( 0.489 -4.649 0.000) 4.675 35.828 ( 0.489 4.649 0.000) 4.675 35.860 ( 0.123 -1.547 0.000) 1.552 35.860 ( 0.123 1.547 0.000) 1.552 36.192 ( 2.101 -1.784 0.000) 2.757 36.192 ( 2.101 1.784 0.000) 2.757 36.296 ( 0.194 -0.512 0.000) 0.548 36.296 ( 0.194 0.512 0.000) 0.548 37.215 ( 4.764 -0.669 0.000) 4.811 37.215 ( 4.764 0.669 0.000) 4.811 38.058 ( -8.440 -4.561 0.000) 9.594 38.058 ( -8.440 4.561 0.000) 9.594 39.307 ( 1.628 -1.186 0.000) 2.014 39.307 ( 1.628 1.186 0.000) 2.014 39.311 ( 1.627 -0.512 0.000) 1.706 39.311 ( 1.627 0.512 0.000) 1.706 ======================= Grid point 32 (19/60) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( 1.574 -2.630 0.000) 3.065 1.047 ( 1.574 2.630 0.000) 3.065 1.063 ( 0.590 -1.816 0.000) 1.909 1.063 ( 0.590 1.816 0.000) 1.909 1.206 ( 3.410 -6.975 0.000) 7.765 1.206 ( 3.410 6.975 0.000) 7.765 1.230 ( 1.034 -4.099 0.000) 4.228 1.230 ( 1.034 4.099 0.000) 4.228 1.344 ( -0.284 -2.517 0.000) 2.533 1.344 ( -0.284 2.517 0.000) 2.533 1.350 ( 0.090 -2.250 0.000) 2.252 1.350 ( 0.090 2.250 0.000) 2.252 1.443 ( 3.079 -1.768 0.000) 3.550 1.443 ( 3.079 1.768 0.000) 3.550 1.526 ( 0.391 -1.219 0.000) 1.280 1.526 ( 0.391 1.219 0.000) 1.280 1.635 ( 1.533 -1.343 0.000) 2.038 1.635 ( 1.533 1.343 0.000) 2.038 1.706 ( 0.381 -4.905 0.000) 4.920 1.706 ( 0.381 4.905 0.000) 4.920 1.868 ( 1.818 -3.378 0.000) 3.836 1.868 ( 1.818 3.378 0.000) 3.836 1.878 ( 0.486 -3.357 0.000) 3.392 1.878 ( 0.486 3.357 0.000) 3.392 4.150 ( 3.268 -1.236 0.000) 3.494 4.150 ( 3.268 1.236 0.000) 3.494 4.240 ( -0.929 -0.791 0.000) 1.220 4.240 ( -0.929 0.791 0.000) 1.220 4.260 ( -1.608 -1.139 0.000) 1.971 4.260 ( -1.608 1.140 0.000) 1.971 4.312 ( -4.469 -1.526 0.000) 4.723 4.312 ( -4.469 1.526 0.000) 4.723 4.667 ( -0.264 -1.496 0.000) 1.519 4.667 ( -0.264 1.496 0.000) 1.519 4.678 ( -0.559 -2.765 0.000) 2.821 4.678 ( -0.559 2.765 0.000) 2.821 7.978 ( 14.469 -10.588 0.000) 17.930 7.978 ( 14.469 10.588 0.000) 17.930 8.199 ( 7.492 -16.404 0.000) 18.034 8.199 ( 7.492 16.404 0.000) 18.034 8.914 ( -0.305 -2.147 0.000) 2.168 8.914 ( -0.305 2.147 0.000) 2.168 9.013 ( -3.241 -9.733 0.000) 10.258 9.013 ( -3.241 9.733 0.000) 10.258 9.844 ( 4.960 -8.991 0.000) 10.268 9.844 ( 4.960 8.991 0.000) 10.268 10.140 ( -7.965 -13.216 0.000) 15.431 10.140 ( -7.965 13.216 0.000) 15.431 15.518 ( 4.674 -3.817 0.000) 6.034 15.518 ( 4.674 3.817 0.000) 6.034 15.648 ( -0.918 -2.783 0.000) 2.931 15.648 ( -0.918 2.784 0.000) 2.931 16.429 ( 5.887 -3.660 0.000) 6.932 16.429 ( 5.887 3.660 0.000) 6.932 16.708 ( -6.502 -2.679 0.000) 7.033 16.708 ( -6.502 2.679 0.000) 7.033 17.117 ( 7.399 -9.412 0.000) 11.973 17.117 ( 7.399 9.413 0.000) 11.973 17.393 ( -4.091 -4.930 0.000) 6.406 17.393 ( -4.091 4.930 0.000) 6.406 18.182 ( -8.061 -13.558 0.000) 15.774 18.182 ( -8.061 13.558 0.000) 15.774 18.332 ( -14.813 -15.714 0.000) 21.596 18.332 ( -14.813 15.714 0.000) 21.596 20.116 ( 16.302 -8.649 0.000) 18.454 20.116 ( 16.302 8.649 0.000) 18.454 20.265 ( 10.040 -20.286 0.000) 22.635 20.265 ( 10.040 20.286 0.000) 22.635 35.841 ( 0.697 -3.915 0.000) 3.977 35.841 ( 0.697 3.915 0.000) 3.977 35.860 ( -0.141 -2.138 0.000) 2.143 35.860 ( -0.141 2.138 0.000) 2.143 36.239 ( 2.422 -2.149 0.000) 3.238 36.239 ( 2.422 2.149 0.000) 3.238 36.295 ( -0.357 -1.129 0.000) 1.184 36.295 ( -0.357 1.129 0.000) 1.184 37.356 ( 9.472 -1.739 0.000) 9.630 37.356 ( 9.472 1.739 0.000) 9.630 37.839 ( -12.992 -3.857 0.000) 13.553 37.839 ( -12.992 3.857 0.000) 13.553 39.343 ( 1.742 -1.155 0.000) 2.090 39.343 ( 1.742 1.155 0.000) 2.090 39.347 ( 1.615 -0.976 0.000) 1.887 39.347 ( 1.615 0.976 0.000) 1.887 ======================= Grid point 34 (20/60) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( -0.352 -1.848 0.000) 1.882 1.067 ( 0.352 -1.848 0.000) 1.882 1.067 ( -0.352 1.848 0.000) 1.882 1.067 ( 0.352 1.848 0.000) 1.882 1.243 ( -0.259 -5.866 0.000) 5.871 1.243 ( 0.259 -5.866 0.000) 5.871 1.243 ( -0.259 5.866 0.000) 5.871 1.243 ( 0.259 5.866 0.000) 5.871 1.343 ( -0.328 -2.861 0.000) 2.880 1.343 ( 0.328 -2.861 0.000) 2.880 1.343 ( -0.328 2.861 0.000) 2.880 1.343 ( 0.328 2.861 0.000) 2.880 1.497 ( -2.319 -2.208 0.000) 3.202 1.497 ( 2.319 -2.208 0.000) 3.202 1.497 ( -2.319 2.208 0.000) 3.202 1.497 ( 2.319 2.208 0.000) 3.202 1.686 ( -2.331 -2.395 0.000) 3.343 1.686 ( 2.331 -2.395 0.000) 3.343 1.686 ( -2.331 2.395 0.000) 3.343 1.686 ( 2.331 2.395 0.000) 3.343 1.888 ( -0.039 -1.848 0.000) 1.849 1.888 ( 0.039 -1.848 0.000) 1.849 1.888 ( -0.039 1.848 0.000) 1.849 1.888 ( 0.039 1.848 0.000) 1.849 4.222 ( -3.326 -1.142 0.000) 3.517 4.222 ( -3.326 1.142 0.000) 3.517 4.222 ( 3.326 -1.142 0.000) 3.517 4.222 ( 3.326 1.142 0.000) 3.517 4.240 ( -0.316 -2.465 0.000) 2.485 4.240 ( 0.316 -2.465 0.000) 2.485 4.240 ( -0.316 2.465 0.000) 2.485 4.240 ( 0.316 2.465 0.000) 2.485 4.667 ( -0.348 -2.295 0.000) 2.321 4.667 ( 0.348 -2.295 0.000) 2.321 4.667 ( -0.348 2.295 0.000) 2.321 4.667 ( 0.348 2.295 0.000) 2.321 8.209 ( -7.000 -15.286 0.000) 16.813 8.209 ( 7.000 -15.286 0.000) 16.813 8.209 ( -7.000 15.286 0.000) 16.813 8.209 ( 7.000 15.286 0.000) 16.813 8.942 ( -3.294 -5.178 0.000) 6.137 8.942 ( 3.294 -5.178 0.000) 6.137 8.942 ( -3.294 5.178 0.000) 6.137 8.942 ( 3.294 5.178 0.000) 6.137 9.977 ( -8.141 -12.632 0.000) 15.028 9.977 ( 8.141 -12.632 0.000) 15.028 9.977 ( -8.141 12.632 0.000) 15.028 9.977 ( 8.141 12.632 0.000) 15.028 15.603 ( -3.588 -3.397 0.000) 4.941 15.603 ( 3.588 -3.397 0.000) 4.941 15.603 ( -3.588 3.397 0.000) 4.941 15.603 ( 3.588 3.397 0.000) 4.941 16.564 ( -7.557 -2.855 0.000) 8.078 16.564 ( -7.557 2.855 0.000) 8.078 16.564 ( 7.557 -2.855 0.000) 8.078 16.564 ( 7.557 2.855 0.000) 8.078 17.272 ( -7.742 -9.171 0.000) 12.002 17.272 ( 7.742 -9.171 0.000) 12.002 17.272 ( -7.742 9.171 0.000) 12.002 17.272 ( 7.742 9.171 0.000) 12.002 18.142 ( -4.088 -18.368 0.000) 18.817 18.142 ( 4.088 -18.368 0.000) 18.817 18.142 ( -4.088 18.368 0.000) 18.817 18.142 ( 4.088 18.368 0.000) 18.817 20.325 ( -4.130 -14.960 0.000) 15.519 20.325 ( 4.130 -14.960 0.000) 15.519 20.325 ( -4.130 14.960 0.000) 15.519 20.325 ( 4.130 14.960 0.000) 15.519 35.853 ( -0.550 -3.006 0.000) 3.056 35.853 ( 0.550 -3.006 0.000) 3.056 35.853 ( -0.550 3.006 0.000) 3.056 35.853 ( 0.550 3.006 0.000) 3.056 36.278 ( -1.447 -1.769 0.000) 2.286 36.278 ( 1.447 -1.769 0.000) 2.286 36.278 ( -1.447 1.769 0.000) 2.286 36.278 ( 1.447 1.769 0.000) 2.286 37.578 ( -12.846 -2.945 0.000) 13.179 37.578 ( -12.846 2.945 0.000) 13.179 37.578 ( 12.846 -2.945 0.000) 13.179 37.578 ( 12.846 2.945 0.000) 13.179 39.363 ( -0.115 -1.180 0.000) 1.186 39.363 ( 0.115 -1.180 0.000) 1.186 39.363 ( -0.115 1.180 0.000) 1.186 39.363 ( 0.115 1.180 0.000) 1.186 ======================= Grid point 63 (21/60) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.320 ( 0.000 0.000 14.160) 14.160 0.350 ( 0.000 0.000 15.113) 15.113 0.561 ( 0.000 0.000 22.663) 22.663 0.882 ( 0.000 0.000 -5.750) 5.750 0.893 ( 0.000 0.000 -11.557) 11.557 1.067 ( 0.000 0.000 2.997) 2.997 1.104 ( 0.000 0.000 -4.061) 4.061 1.207 ( 0.000 0.000 1.275) 1.275 1.243 ( 0.000 0.000 1.350) 1.350 1.286 ( 0.000 0.000 -0.432) 0.432 1.299 ( 0.000 0.000 0.581) 0.581 1.335 ( 0.000 0.000 5.451) 5.451 1.352 ( 0.000 0.000 -0.425) 0.425 1.431 ( 0.000 0.000 2.768) 2.768 1.477 ( 0.000 0.000 -0.197) 0.197 1.478 ( 0.000 0.000 -1.135) 1.135 1.605 ( 0.000 0.000 -2.936) 2.936 1.607 ( 0.000 0.000 0.782) 0.782 1.616 ( 0.000 0.000 -6.601) 6.601 1.681 ( 0.000 0.000 1.503) 1.503 1.728 ( 0.000 0.000 -3.467) 3.467 1.794 ( 0.000 0.000 -3.690) 3.690 2.025 ( 0.000 0.000 2.857) 2.857 2.148 ( 0.000 0.000 -1.606) 1.606 3.506 ( 0.000 0.000 5.708) 5.708 3.768 ( 0.000 0.000 -4.276) 4.276 3.990 ( 0.000 0.000 1.466) 1.466 4.035 ( 0.000 0.000 -0.370) 0.370 4.326 ( 0.000 0.000 1.957) 1.957 4.429 ( 0.000 0.000 -1.976) 1.976 4.607 ( 0.000 0.000 0.377) 0.377 4.624 ( 0.000 0.000 -0.018) 0.018 4.709 ( 0.000 0.000 0.924) 0.924 4.749 ( 0.000 0.000 -0.699) 0.699 4.853 ( 0.000 0.000 4.818) 4.818 5.106 ( 0.000 0.000 -4.408) 4.408 6.552 ( 0.000 0.000 15.605) 15.605 6.858 ( 0.000 0.000 21.587) 21.587 7.408 ( 0.000 0.000 -15.898) 15.898 7.814 ( 0.000 0.000 -2.931) 2.931 8.349 ( 0.000 0.000 -8.453) 8.453 8.639 ( 0.000 0.000 -11.298) 11.298 8.857 ( 0.000 0.000 6.954) 6.954 8.950 ( 0.000 0.000 9.627) 9.627 9.274 ( 0.000 0.000 -7.414) 7.414 9.373 ( 0.000 0.000 -6.053) 6.053 9.852 ( 0.000 0.000 9.016) 9.016 10.224 ( 0.000 0.000 -5.255) 5.255 15.713 ( 0.000 0.000 3.776) 3.776 15.965 ( 0.000 0.000 4.477) 4.477 15.971 ( 0.000 0.000 -5.760) 5.760 16.293 ( 0.000 0.000 -6.184) 6.184 16.346 ( 0.000 0.000 1.100) 1.100 16.435 ( 0.000 0.000 -1.978) 1.978 16.443 ( 0.000 0.000 -4.473) 4.473 16.528 ( 0.000 0.000 -6.206) 6.206 16.840 ( 0.000 0.000 4.310) 4.310 17.006 ( 0.000 0.000 -1.846) 1.846 17.124 ( 0.000 0.000 1.484) 1.484 17.169 ( 0.000 0.000 -0.314) 0.314 17.263 ( 0.000 0.000 17.102) 17.102 17.484 ( 0.000 0.000 17.576) 17.576 18.141 ( 0.000 0.000 -12.487) 12.487 18.439 ( 0.000 0.000 -17.083) 17.083 19.265 ( 0.000 0.000 11.287) 11.287 19.539 ( 0.000 0.000 -0.539) 0.539 20.229 ( 0.000 0.000 1.743) 1.743 20.435 ( 0.000 0.000 -5.513) 5.513 35.734 ( 0.000 0.000 2.101) 2.101 35.872 ( 0.000 0.000 -3.047) 3.047 36.181 ( 0.000 0.000 1.821) 1.821 36.268 ( 0.000 0.000 -0.500) 0.500 36.401 ( 0.000 0.000 -0.773) 0.773 36.416 ( 0.000 0.000 -0.599) 0.599 36.676 ( 0.000 0.000 0.222) 0.222 36.689 ( 0.000 0.000 -0.244) 0.244 36.751 ( 0.000 0.000 0.151) 0.151 36.758 ( 0.000 0.000 -0.101) 0.101 37.268 ( 0.000 0.000 5.020) 5.020 37.519 ( 0.000 0.000 -4.083) 4.083 39.294 ( 0.000 0.000 1.687) 1.687 39.344 ( 0.000 0.000 -0.405) 0.405 39.420 ( 0.000 0.000 0.890) 0.890 39.517 ( 0.000 0.000 -2.308) 2.308 ======================= Grid point 64 (22/60) ======================= q-point: ( 0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.428 ( 9.319 0.000 10.170) 13.794 0.432 ( 9.585 0.000 10.250) 14.034 0.803 ( 18.020 0.000 12.633) 22.007 0.915 ( 3.611 0.000 -2.833) 4.589 0.918 ( 2.360 0.000 -10.415) 10.679 1.084 ( 1.480 0.000 1.389) 2.030 1.145 ( 2.857 0.000 -3.058) 4.185 1.159 ( -4.247 0.000 1.682) 4.568 1.264 ( 1.164 0.000 1.343) 1.777 1.274 ( -1.635 0.000 -2.293) 2.816 1.334 ( 3.589 0.000 0.572) 3.634 1.341 ( 0.620 0.000 6.027) 6.059 1.378 ( 2.731 0.000 -0.679) 2.814 1.424 ( -0.603 0.000 2.755) 2.820 1.477 ( -0.253 0.000 0.595) 0.646 1.498 ( 1.808 0.000 -0.927) 2.032 1.551 ( -1.440 0.000 -0.414) 1.498 1.602 ( -0.245 0.000 -2.799) 2.809 1.648 ( -0.427 0.000 0.395) 0.582 1.686 ( 0.947 0.000 -1.949) 2.167 1.735 ( 1.861 0.000 -4.139) 4.538 1.785 ( -0.683 0.000 -3.428) 3.496 2.027 ( -0.135 0.000 2.012) 2.017 2.091 ( -5.580 0.000 -0.405) 5.595 3.555 ( 4.536 0.000 5.124) 6.843 3.780 ( 0.983 0.000 -3.309) 3.452 3.983 ( -0.592 0.000 1.078) 1.230 4.026 ( -0.878 0.000 -0.462) 0.992 4.301 ( -2.355 0.000 2.798) 3.657 4.397 ( -4.109 0.000 2.550) 4.836 4.426 ( -4.664 0.000 4.766) 6.668 4.604 ( -3.178 0.000 -2.336) 3.944 4.732 ( -0.144 0.000 2.130) 2.135 4.786 ( 2.195 0.000 2.331) 3.201 4.822 ( -1.883 0.000 2.646) 3.248 5.121 ( -1.022 0.000 -7.448) 7.518 6.569 ( 1.806 0.000 16.324) 16.423 6.831 ( -2.440 0.000 21.077) 21.217 7.482 ( 6.907 0.000 -16.385) 17.781 7.867 ( 3.844 0.000 -8.193) 9.050 8.395 ( 5.328 0.000 -3.900) 6.603 8.700 ( 5.343 0.000 -9.410) 10.820 8.798 ( -3.568 0.000 4.773) 5.959 8.914 ( -2.637 0.000 4.315) 5.057 9.446 ( 12.205 0.000 -3.986) 12.840 9.506 ( 11.889 0.000 -1.869) 12.035 9.906 ( 5.073 0.000 7.414) 8.983 10.219 ( -0.550 0.000 -4.460) 4.494 15.727 ( 1.407 0.000 3.360) 3.643 15.880 ( -13.606 0.000 13.799) 19.379 15.954 ( -1.795 0.000 -4.925) 5.242 16.094 ( -7.804 0.000 16.946) 18.656 16.232 ( -9.167 0.000 -8.563) 12.544 16.340 ( -0.507 0.000 0.759) 0.912 16.415 ( -1.920 0.000 -1.552) 2.468 16.571 ( 2.582 0.000 -8.041) 8.445 16.864 ( 2.274 0.000 3.253) 3.969 16.867 ( -24.892 0.000 22.846) 33.787 16.997 ( -0.803 0.000 -1.536) 1.733 17.112 ( -1.189 0.000 1.557) 1.959 17.154 ( -1.490 0.000 -0.188) 1.501 17.278 ( -2.403 0.000 10.047) 10.330 17.921 ( -14.783 0.000 -5.785) 15.874 18.195 ( -17.346 0.000 -9.360) 19.710 19.705 ( 30.821 0.000 7.298) 31.673 19.801 ( 21.920 0.000 8.257) 23.424 20.478 ( 4.782 0.000 -5.767) 7.491 20.926 ( 28.539 0.000 -35.593) 45.621 35.748 ( 1.382 0.000 2.135) 2.543 35.877 ( 0.218 0.000 -2.408) 2.417 36.156 ( -2.579 0.000 1.619) 3.045 36.162 ( -4.844 0.000 3.685) 6.086 36.464 ( 6.182 0.000 0.799) 6.233 36.558 ( 10.511 0.000 -2.699) 10.852 36.681 ( 0.508 0.000 0.219) 0.553 36.694 ( 0.501 0.000 -0.246) 0.558 36.746 ( -0.505 0.000 0.178) 0.535 36.755 ( -0.394 0.000 -0.124) 0.413 37.199 ( -5.815 0.000 5.710) 8.150 37.562 ( -1.912 0.000 -11.554) 11.711 39.315 ( 2.294 0.000 0.960) 2.487 39.368 ( 2.070 0.000 -0.937) 2.272 39.415 ( 0.183 0.000 1.650) 1.660 39.516 ( -0.156 0.000 -2.114) 2.119 ======================= Grid point 65 (23/60) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.631 ( 10.553 0.000 6.246) 12.263 0.656 ( 11.714 0.000 3.727) 12.292 0.935 ( -0.063 0.000 -3.238) 3.239 0.950 ( -1.561 0.000 -3.725) 4.039 1.081 ( -1.343 0.000 -2.003) 2.411 1.097 ( 0.263 0.000 -3.129) 3.140 1.165 ( -1.379 0.000 -3.549) 3.808 1.205 ( 17.919 0.000 8.388) 19.785 1.218 ( -3.846 0.000 -4.424) 5.862 1.296 ( 3.068 0.000 3.433) 4.604 1.359 ( 1.209 0.000 5.787) 5.912 1.397 ( -0.191 0.000 1.363) 1.376 1.409 ( -1.024 0.000 3.467) 3.615 1.430 ( 3.104 0.000 -0.650) 3.172 1.489 ( 2.095 0.000 1.152) 2.391 1.538 ( 2.034 0.000 -1.256) 2.391 1.562 ( 1.878 0.000 -0.894) 2.080 1.593 ( -0.726 0.000 -2.409) 2.516 1.661 ( 1.082 0.000 1.775) 2.079 1.681 ( 0.486 0.000 -2.078) 2.134 1.739 ( -2.091 0.000 -1.090) 2.359 1.838 ( 5.517 0.000 -5.558) 7.831 1.937 ( -9.707 0.000 2.442) 10.009 2.009 ( -1.901 0.000 -0.149) 1.907 3.661 ( 5.664 0.000 3.659) 6.743 3.792 ( -0.248 0.000 -0.874) 0.909 3.973 ( -0.265 0.000 0.072) 0.275 4.002 ( -1.376 0.000 -0.627) 1.512 4.273 ( 0.078 0.000 4.171) 4.171 4.333 ( -2.175 0.000 5.090) 5.536 4.402 ( 0.555 0.000 -0.766) 0.946 4.526 ( -4.521 0.000 -1.774) 4.856 4.715 ( -0.950 0.000 2.509) 2.682 4.752 ( -2.853 0.000 4.235) 5.106 4.870 ( 4.206 0.000 -1.906) 4.618 5.060 ( -4.574 0.000 -6.002) 7.546 6.622 ( 3.451 0.000 17.914) 18.243 6.771 ( -3.489 0.000 20.390) 20.686 7.645 ( 8.905 0.000 -17.731) 19.841 7.896 ( -1.742 0.000 -16.607) 16.698 8.567 ( 11.145 0.000 2.183) 11.356 8.765 ( 0.203 0.000 1.765) 1.777 8.794 ( 2.602 0.000 -4.733) 5.402 8.855 ( -3.250 0.000 0.271) 3.261 9.669 ( 10.110 0.000 2.010) 10.308 9.737 ( 8.831 0.000 1.386) 8.939 10.026 ( 6.415 0.000 3.735) 7.423 10.197 ( -1.955 0.000 -2.493) 3.168 15.730 ( 1.286 0.000 15.309) 15.363 15.769 ( 2.824 0.000 2.158) 3.555 15.903 ( -3.201 0.000 -2.599) 4.123 16.048 ( -8.473 0.000 -2.380) 8.801 16.105 ( 2.860 0.000 4.253) 5.125 16.330 ( -0.318 0.000 -0.243) 0.400 16.370 ( -2.272 0.000 -1.205) 2.572 16.449 ( -15.271 0.000 6.717) 16.683 16.682 ( 5.320 0.000 -3.804) 6.540 16.919 ( 2.958 0.000 1.416) 3.280 16.981 ( -0.700 0.000 -0.672) 0.970 17.085 ( -1.244 0.000 1.574) 2.006 17.116 ( -2.222 0.000 0.218) 2.232 17.124 ( -12.971 0.000 -6.359) 14.445 17.742 ( -2.751 0.000 4.955) 5.668 17.913 ( -10.736 0.000 3.134) 11.184 20.157 ( 17.420 0.000 4.522) 17.997 20.299 ( 19.023 0.000 8.468) 20.823 20.616 ( 11.384 0.000 -9.176) 14.622 21.140 ( -2.296 0.000 -23.168) 23.281 35.786 ( 2.369 0.000 2.141) 3.193 35.871 ( -1.004 0.000 -0.202) 1.024 36.091 ( -2.037 0.000 1.390) 2.466 36.110 ( -2.268 0.000 0.502) 2.323 36.625 ( 9.777 0.000 3.015) 10.231 36.695 ( 0.858 0.000 0.208) 0.883 36.707 ( 0.811 0.000 -0.256) 0.851 36.733 ( -0.815 0.000 0.231) 0.847 36.743 ( -0.744 0.000 -0.157) 0.761 36.811 ( 14.785 0.000 -3.517) 15.198 37.047 ( -9.474 0.000 5.206) 10.810 37.408 ( -12.336 0.000 -8.914) 15.219 39.369 ( 2.651 0.000 -0.124) 2.654 39.405 ( 1.048 0.000 -1.001) 1.450 39.439 ( 2.276 0.000 0.990) 2.482 39.509 ( -0.718 0.000 -1.488) 1.652 ======================= Grid point 66 (24/60) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( -9.028 0.000 3.627) 9.729 0.826 ( 9.028 0.000 3.627) 9.729 0.856 ( -7.830 0.000 0.764) 7.867 0.856 ( 7.830 0.000 0.764) 7.867 1.119 ( -2.305 0.000 -5.150) 5.642 1.119 ( 2.305 0.000 -5.150) 5.642 1.133 ( -4.481 0.000 -5.873) 7.387 1.133 ( 4.481 0.000 -5.873) 7.387 1.359 ( -2.852 0.000 3.020) 4.154 1.359 ( 2.852 0.000 3.020) 4.154 1.385 ( -1.329 0.000 4.661) 4.847 1.385 ( 1.329 0.000 4.661) 4.847 1.442 ( -3.730 0.000 -0.015) 3.730 1.442 ( 3.730 0.000 -0.015) 3.730 1.560 ( -4.156 0.000 0.636) 4.205 1.560 ( 4.156 0.000 0.636) 4.205 1.572 ( -1.424 0.000 -1.853) 2.337 1.572 ( 1.424 0.000 -1.853) 2.337 1.683 ( -2.931 0.000 1.207) 3.170 1.683 ( 2.931 0.000 1.207) 3.170 1.752 ( -6.783 0.000 2.237) 7.142 1.752 ( 6.783 0.000 2.237) 7.142 1.945 ( -4.658 0.000 -3.183) 5.642 1.945 ( 4.658 0.000 -3.183) 5.642 3.756 ( -3.510 0.000 1.718) 3.908 3.756 ( 3.510 0.000 1.718) 3.908 3.979 ( -0.880 0.000 -0.655) 1.097 3.979 ( 0.880 0.000 -0.655) 1.097 4.295 ( -1.775 0.000 4.177) 4.539 4.295 ( 1.775 0.000 4.177) 4.539 4.443 ( -3.469 0.000 -1.022) 3.616 4.443 ( 3.469 0.000 -1.022) 3.616 4.712 ( -0.953 0.000 2.851) 3.007 4.712 ( 0.953 0.000 2.851) 3.007 4.962 ( -5.060 0.000 -3.856) 6.362 4.962 ( 5.060 0.000 -3.856) 6.362 6.697 ( -3.957 0.000 19.423) 19.822 6.697 ( 3.957 0.000 19.423) 19.822 7.806 ( -6.879 0.000 -18.610) 19.841 7.806 ( 6.879 0.000 -18.610) 19.841 8.758 ( -6.532 0.000 0.410) 6.545 8.758 ( 6.532 0.000 0.410) 6.545 8.795 ( -2.574 0.000 -0.121) 2.577 8.795 ( 2.574 0.000 -0.121) 2.577 9.803 ( -2.324 0.000 3.267) 4.010 9.803 ( 2.324 0.000 3.267) 4.010 10.135 ( -4.400 0.000 0.156) 4.403 10.135 ( 4.400 0.000 0.156) 4.403 15.834 ( -3.646 0.000 0.136) 3.649 15.834 ( 3.646 0.000 0.136) 3.649 15.860 ( -9.721 0.000 4.859) 10.868 15.860 ( 9.721 0.000 4.859) 10.868 16.214 ( -8.255 0.000 4.559) 9.430 16.214 ( 8.255 0.000 4.559) 9.430 16.336 ( -1.034 0.000 -1.069) 1.487 16.336 ( 1.034 0.000 -1.069) 1.487 16.857 ( -12.149 0.000 -8.631) 14.903 16.857 ( 12.149 0.000 -8.631) 14.903 16.964 ( -1.358 0.000 0.206) 1.374 16.964 ( 1.358 0.000 0.206) 1.374 17.079 ( -0.998 0.000 1.032) 1.436 17.079 ( 0.998 0.000 1.032) 1.436 17.767 ( -4.443 0.000 7.756) 8.938 17.767 ( 4.443 0.000 7.756) 8.938 20.392 ( -5.660 0.000 5.399) 7.822 20.392 ( 5.660 0.000 5.399) 7.822 20.941 ( -16.367 0.000 -13.697) 21.342 20.941 ( 16.367 0.000 -13.697) 21.342 35.835 ( -2.428 0.000 1.681) 2.953 35.835 ( 2.428 0.000 1.681) 2.953 36.079 ( -0.717 0.000 -0.087) 0.722 36.079 ( 0.717 0.000 -0.087) 0.722 36.712 ( -0.838 0.000 0.115) 0.846 36.712 ( 0.838 0.000 0.115) 0.846 36.727 ( -0.787 0.000 -0.103) 0.794 36.727 ( 0.787 0.000 -0.103) 0.794 36.834 ( -11.052 0.000 4.121) 11.795 36.834 ( 11.052 0.000 4.121) 11.795 37.123 ( -15.715 0.000 -5.402) 16.618 37.123 ( 15.715 0.000 -5.402) 16.618 39.406 ( -0.946 0.000 -0.456) 1.050 39.406 ( 0.946 0.000 -0.456) 1.050 39.484 ( -1.860 0.000 -0.524) 1.932 39.484 ( 1.860 0.000 -0.524) 1.932 ======================= Grid point 70 (25/60) ======================= q-point: ( 0.00 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.445 ( 0.000 10.634 9.581) 14.314 0.461 ( 0.000 9.860 10.876) 14.680 0.743 ( 0.000 15.181 13.491) 20.310 0.914 ( 0.000 1.701 -9.451) 9.603 0.920 ( 0.000 4.320 -3.513) 5.568 1.074 ( 0.000 0.871 2.473) 2.622 1.111 ( 0.000 0.340 -2.419) 2.443 1.217 ( 0.000 -1.276 1.348) 1.856 1.237 ( 0.000 2.390 1.599) 2.876 1.293 ( 0.000 -0.565 -0.531) 0.775 1.295 ( 0.000 -0.330 0.349) 0.481 1.351 ( 0.000 1.761 2.877) 3.373 1.389 ( 0.000 2.940 0.155) 2.944 1.427 ( 0.000 -3.189 -0.989) 3.339 1.455 ( 0.000 2.377 1.924) 3.058 1.485 ( 0.000 -0.989 0.655) 1.186 1.550 ( 0.000 -2.778 -0.104) 2.780 1.601 ( 0.000 -2.537 1.801) 3.111 1.627 ( 0.000 1.217 -6.300) 6.416 1.689 ( 0.000 2.054 0.875) 2.232 1.739 ( 0.000 0.900 -3.694) 3.802 1.781 ( 0.000 -0.983 -3.111) 3.263 2.004 ( 0.000 -2.097 2.687) 3.409 2.130 ( 0.000 -1.665 -1.838) 2.479 3.792 ( 0.000 15.384 -8.275) 17.468 3.841 ( 0.000 6.484 -3.514) 7.375 4.029 ( 0.000 3.895 1.563) 4.197 4.083 ( 0.000 4.752 -0.738) 4.809 4.327 ( 0.000 0.008 1.817) 1.817 4.405 ( 0.000 -2.255 -1.287) 2.596 4.607 ( 0.000 -1.873 0.449) 1.926 4.607 ( 0.000 0.023 -0.227) 0.228 4.705 ( 0.000 -0.390 0.818) 0.907 4.739 ( 0.000 -0.996 -0.450) 1.093 4.811 ( 0.000 -3.880 3.397) 5.157 4.953 ( 0.000 -11.288 2.232) 11.507 6.747 ( 0.000 18.115 12.914) 22.247 7.002 ( 0.000 13.888 20.450) 24.720 7.480 ( 0.000 6.173 -13.962) 15.266 7.964 ( 0.000 14.646 -3.802) 15.131 8.285 ( 0.000 -5.573 -5.600) 7.901 8.615 ( 0.000 -2.132 -6.157) 6.516 8.863 ( 0.000 1.172 7.148) 7.243 9.117 ( 0.000 14.616 0.314) 14.619 9.316 ( 0.000 0.148 -8.739) 8.741 9.404 ( 0.000 6.278 -5.179) 8.138 9.905 ( 0.000 4.993 9.504) 10.736 10.277 ( 0.000 4.929 -5.216) 7.176 15.461 ( 0.000 -12.599 9.867) 16.002 15.818 ( 0.000 -12.055 -6.755) 13.818 15.960 ( 0.000 -4.478 6.868) 8.199 16.180 ( 0.000 -10.531 -1.553) 10.645 16.377 ( 0.000 3.150 1.594) 3.530 16.433 ( 0.000 -4.344 -1.668) 4.653 16.446 ( 0.000 3.655 -1.593) 3.987 16.533 ( 0.000 6.974 -8.604) 11.076 16.883 ( 0.000 3.753 4.495) 5.856 17.042 ( 0.000 1.541 -0.362) 1.583 17.103 ( 0.000 -0.086 5.979) 5.980 17.225 ( 0.000 6.329 -1.398) 6.482 17.543 ( 0.000 21.132 14.962) 25.892 17.766 ( 0.000 23.883 12.158) 26.799 18.260 ( 0.000 11.656 -11.980) 16.714 18.481 ( 0.000 4.608 -14.822) 15.522 19.288 ( 0.000 -1.010 8.751) 8.809 19.494 ( 0.000 -4.387 -0.326) 4.399 20.263 ( 0.000 0.998 -6.213) 6.293 20.338 ( 0.000 -9.421 -4.543) 10.459 35.733 ( 0.000 -0.037 1.873) 1.873 35.859 ( 0.000 -1.194 -2.812) 3.055 36.153 ( 0.000 -4.065 2.578) 4.814 36.256 ( 0.000 -1.407 -0.725) 1.583 36.270 ( 0.000 -10.260 7.633) 12.788 36.353 ( 0.000 -4.655 -1.369) 4.852 36.442 ( 0.000 -7.835 1.340) 7.949 36.480 ( 0.000 -13.512 0.783) 13.535 36.834 ( 0.000 7.345 0.198) 7.348 36.853 ( 0.000 7.972 -0.570) 7.992 37.489 ( 0.000 16.775 4.972) 17.496 37.897 ( 0.000 17.649 -15.365) 23.401 39.296 ( 0.000 0.269 1.473) 1.498 39.334 ( 0.000 -0.973 -0.283) 1.013 39.379 ( 0.000 -3.082 1.342) 3.362 39.483 ( 0.000 -3.240 -2.246) 3.943 ======================= Grid point 71 (26/60) ======================= q-point: ( 0.17 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.530 ( 8.135 9.051 6.860) 13.970 0.539 ( 7.010 9.246 8.921) 14.636 0.899 ( 8.329 6.229 -0.487) 10.412 0.938 ( 6.502 4.308 -1.591) 7.960 0.976 ( 5.401 5.745 -0.021) 7.885 1.090 ( 1.394 0.655 1.058) 1.868 1.141 ( 1.711 -0.092 -1.164) 2.072 1.189 ( -3.106 1.882 1.390) 3.888 1.235 ( 0.585 -0.475 0.258) 0.797 1.305 ( 1.087 -0.003 -0.231) 1.111 1.322 ( 0.840 1.205 1.608) 2.178 1.370 ( 2.979 0.008 0.954) 3.128 1.389 ( 0.438 1.260 1.149) 1.760 1.434 ( 0.910 0.685 0.745) 1.361 1.474 ( 0.658 1.359 1.008) 1.816 1.494 ( 1.294 -0.847 -0.022) 1.547 1.530 ( -0.573 -1.582 -0.098) 1.686 1.598 ( -0.210 -0.910 0.563) 1.091 1.628 ( 0.221 -1.001 -1.808) 2.078 1.709 ( 0.152 1.920 -1.667) 2.547 1.743 ( 1.184 0.795 -3.442) 3.726 1.774 ( 0.057 -0.801 -3.696) 3.782 2.005 ( -0.060 -2.116 2.080) 2.968 2.080 ( -5.007 -1.149 -0.695) 5.184 3.781 ( -0.461 15.013 -3.962) 15.534 3.849 ( 0.712 6.259 -2.660) 6.838 4.024 ( -0.431 3.966 0.990) 4.111 4.072 ( -1.004 4.449 -0.658) 4.608 4.306 ( -2.271 0.481 1.843) 2.964 4.378 ( -3.202 -1.778 0.894) 3.770 4.417 ( -6.530 -0.611 6.955) 9.560 4.590 ( -3.373 -1.439 -1.871) 4.117 4.715 ( -0.329 -1.605 1.941) 2.540 4.764 ( 0.585 -2.328 3.793) 4.489 4.789 ( -0.035 -2.810 0.334) 2.830 5.022 ( 1.872 -8.349 -4.668) 9.747 6.765 ( 1.923 18.532 13.813) 23.194 6.984 ( -1.627 14.702 19.653) 24.597 7.560 ( 7.435 6.887 -14.519) 17.706 8.008 ( 2.669 13.266 -10.232) 16.965 8.358 ( 8.111 -2.783 -0.274) 8.579 8.667 ( 4.714 -2.135 -3.984) 6.531 8.832 ( -2.145 2.998 4.729) 5.996 9.049 ( -4.353 11.682 -2.767) 12.770 9.439 ( 9.217 -0.877 -3.462) 9.885 9.523 ( 10.143 2.684 -2.908) 10.888 9.952 ( 4.460 4.114 8.000) 10.041 10.273 ( -0.451 4.871 -4.560) 6.687 15.478 ( 2.224 -9.929 9.215) 13.728 15.811 ( -0.527 -10.680 -5.999) 12.261 15.971 ( 0.858 -5.965 6.336) 8.745 16.107 ( -5.943 -1.738 1.831) 6.457 16.302 ( -10.281 6.524 -1.594) 12.280 16.329 ( -3.892 1.664 0.042) 4.234 16.502 ( 3.404 2.835 -1.179) 4.584 16.564 ( 2.050 4.345 -3.060) 5.696 16.840 ( -13.594 3.468 11.667) 18.247 16.906 ( -0.023 4.001 5.359) 6.688 17.025 ( -2.002 0.429 -0.578) 2.127 17.176 ( -5.141 4.000 -2.110) 6.847 17.384 ( -14.698 21.314 9.083) 27.437 17.585 ( -9.273 25.597 3.900) 27.502 18.073 ( -10.496 13.353 -4.787) 17.646 18.257 ( -14.402 6.436 -8.672) 18.001 19.675 ( 27.924 -3.124 7.240) 29.016 19.743 ( 22.523 -5.028 8.462) 24.580 20.383 ( 4.878 -9.174 -5.145) 11.594 20.771 ( 26.878 -12.328 -24.721) 38.543 35.745 ( 1.258 -0.185 1.939) 2.318 35.862 ( 0.175 -1.263 -2.202) 2.544 36.115 ( -3.212 -4.405 3.565) 6.514 36.147 ( -3.268 -1.455 1.911) 4.056 36.392 ( 3.454 -5.885 0.009) 6.823 36.443 ( 7.816 -8.764 -1.022) 11.787 36.486 ( 2.540 -11.455 1.033) 11.778 36.503 ( 3.184 -11.109 0.548) 11.569 36.853 ( 1.975 8.702 0.372) 8.931 36.882 ( 3.468 9.392 -0.746) 10.039 37.422 ( -6.447 16.395 4.855) 18.274 37.798 ( -9.368 14.442 -11.818) 20.881 39.316 ( 1.992 0.024 0.792) 2.143 39.356 ( 1.848 -1.168 -0.712) 2.299 39.389 ( 1.173 -2.183 1.453) 2.873 39.485 ( 0.162 -2.926 -1.981) 3.537 ======================= Grid point 72 (27/60) ======================= q-point: ( 0.33 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( 8.750 6.491 5.999) 12.437 0.719 ( 10.010 5.859 3.238) 12.042 0.954 ( 0.550 2.230 -3.062) 3.827 0.993 ( -2.143 3.404 -2.057) 4.518 1.088 ( -0.761 0.715 -1.358) 1.713 1.113 ( 0.620 1.229 -3.091) 3.384 1.173 ( -1.025 0.867 -3.345) 3.604 1.215 ( 0.230 0.669 -2.395) 2.497 1.284 ( 13.413 6.730 6.044) 16.179 1.312 ( 1.043 0.746 1.943) 2.328 1.338 ( 0.544 -0.911 3.172) 3.345 1.397 ( 0.137 -0.559 1.695) 1.790 1.428 ( 0.754 1.438 1.336) 2.103 1.464 ( 0.722 2.166 1.545) 2.757 1.491 ( 4.060 1.532 1.206) 4.504 1.530 ( 1.444 -0.997 -0.637) 1.867 1.556 ( 2.316 -0.562 -0.827) 2.523 1.590 ( -0.303 -0.007 -1.231) 1.267 1.656 ( 2.737 -1.246 0.911) 3.142 1.687 ( -1.350 1.362 -1.618) 2.509 1.730 ( -1.869 -0.835 -1.264) 2.405 1.841 ( 5.181 0.354 -5.056) 7.248 1.939 ( -9.089 0.180 2.084) 9.327 1.992 ( -1.525 -1.699 0.131) 2.287 3.796 ( 2.012 11.217 0.723) 11.419 3.860 ( 0.044 6.326 -0.646) 6.359 4.017 ( -0.136 4.133 -0.089) 4.136 4.048 ( -1.310 4.271 -0.819) 4.542 4.266 ( -0.605 -0.403 4.056) 4.121 4.317 ( -2.147 -1.502 4.899) 5.555 4.383 ( 0.518 -1.815 -0.388) 1.927 4.508 ( -4.664 -1.833 -1.473) 5.223 4.699 ( -0.760 -1.427 2.215) 2.742 4.730 ( -2.197 -2.006 3.541) 4.625 4.841 ( 3.585 -2.801 -1.632) 4.833 4.999 ( -3.327 -5.691 -4.915) 8.223 6.820 ( 3.390 19.001 15.612) 24.825 6.944 ( -2.392 16.722 18.566) 25.100 7.736 ( 9.581 8.330 -16.143) 20.537 8.011 ( -2.674 10.605 -16.991) 20.207 8.590 ( 13.730 2.412 3.349) 14.337 8.756 ( 3.303 -0.687 -0.540) 3.417 8.807 ( -0.387 2.813 1.636) 3.277 8.964 ( -4.754 9.078 -3.486) 10.824 9.624 ( 8.874 -3.613 1.852) 9.758 9.711 ( 6.914 -2.301 0.644) 7.315 10.062 ( 6.351 3.004 3.844) 8.008 10.252 ( -2.071 4.633 -2.943) 5.866 15.570 ( 7.272 -5.815 5.940) 11.045 15.802 ( -0.648 -6.802 -3.965) 7.900 15.962 ( -2.201 -4.814 8.222) 9.779 16.029 ( -2.553 -1.045 0.956) 2.919 16.117 ( -5.229 8.486 0.804) 10.000 16.251 ( -4.583 3.633 -0.712) 5.892 16.516 ( -0.840 10.992 1.530) 11.130 16.624 ( -4.825 9.032 4.727) 11.279 16.675 ( 5.410 0.171 -0.468) 5.433 16.948 ( 1.792 -2.462 2.282) 3.805 16.974 ( -2.591 -2.165 -2.958) 4.489 17.053 ( -4.321 4.447 -1.050) 6.289 17.183 ( -6.603 14.714 -0.637) 16.140 17.297 ( -17.457 12.658 -3.233) 21.804 17.965 ( -0.978 18.337 3.389) 18.673 18.068 ( -6.047 13.962 2.437) 15.409 20.079 ( 16.612 -7.397 5.535) 19.008 20.245 ( 16.512 -5.269 9.503) 19.767 20.537 ( 13.575 -7.289 -9.441) 18.071 21.030 ( 0.868 -9.988 -19.913) 22.294 35.780 ( 2.172 -0.509 1.922) 2.945 35.857 ( -0.930 -1.253 -0.263) 1.583 36.067 ( -1.400 -2.455 1.244) 3.088 36.094 ( -2.276 -1.789 0.384) 2.920 36.466 ( 3.499 -8.932 1.330) 9.685 36.513 ( 0.866 -11.963 1.168) 12.051 36.558 ( 3.576 -9.661 -1.264) 10.379 36.571 ( 2.442 -9.821 -0.623) 10.140 36.920 ( 5.226 11.676 1.323) 12.860 37.015 ( 10.244 11.498 -2.050) 15.535 37.257 ( -9.630 15.050 4.145) 18.342 37.560 ( -14.096 11.306 -7.433) 19.540 39.361 ( 2.227 -0.780 -0.160) 2.365 39.387 ( 1.040 -1.555 -0.852) 2.056 39.429 ( 2.541 -1.034 0.842) 2.870 39.486 ( -0.231 -2.127 -1.229) 2.468 ======================= Grid point 73 (28/60) ======================= q-point: (-0.50 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( -5.238 3.604 3.466) 7.242 0.862 ( 5.238 3.604 3.466) 7.242 0.901 ( -4.171 4.140 1.083) 5.975 0.901 ( 4.171 4.140 1.083) 5.975 1.114 ( -2.116 0.001 -3.901) 4.438 1.114 ( 2.116 0.001 -3.901) 4.438 1.171 ( -2.497 2.803 -5.735) 6.855 1.171 ( 2.497 2.803 -5.735) 6.855 1.337 ( -0.787 -1.666 2.630) 3.211 1.337 ( 0.787 -1.666 2.630) 3.211 1.410 ( -1.174 1.779 2.656) 3.405 1.410 ( 1.174 1.779 2.656) 3.405 1.467 ( -2.301 2.235 1.022) 3.367 1.467 ( 2.301 2.235 1.022) 3.367 1.556 ( -1.114 -0.831 -0.772) 1.590 1.556 ( 1.114 -0.831 -0.772) 1.590 1.585 ( -3.153 1.783 -0.947) 3.744 1.585 ( 3.153 1.783 -0.947) 3.744 1.685 ( -2.060 0.052 0.364) 2.092 1.685 ( 2.060 0.052 0.364) 2.092 1.751 ( -8.067 0.335 3.196) 8.683 1.751 ( 8.067 0.335 3.196) 8.683 1.937 ( -4.100 -0.739 -2.735) 4.984 1.937 ( 4.100 -0.739 -2.735) 4.984 3.841 ( -1.943 7.776 1.063) 8.085 3.841 ( 1.943 7.776 1.063) 8.085 4.025 ( -0.944 4.267 -0.792) 4.442 4.025 ( 0.944 4.267 -0.792) 4.442 4.280 ( -1.605 -1.305 4.058) 4.555 4.280 ( 1.605 -1.305 4.058) 4.555 4.424 ( -3.468 -1.902 -0.927) 4.062 4.424 ( 3.468 -1.902 -0.927) 4.062 4.698 ( -0.829 -1.315 2.523) 2.964 4.698 ( 0.829 -1.315 2.523) 2.964 4.919 ( -4.311 -4.081 -3.322) 6.803 4.919 ( 4.311 -4.081 -3.322) 6.803 6.888 ( -3.310 18.480 17.332) 25.551 6.888 ( 3.310 18.480 17.332) 25.551 7.909 ( -7.433 9.601 -17.628) 21.405 7.909 ( 7.433 9.601 -17.628) 21.405 8.792 ( -1.846 0.328 0.076) 1.877 8.792 ( 1.846 0.328 0.076) 1.877 8.834 ( -8.801 6.867 0.535) 11.176 8.834 ( 8.801 6.867 0.535) 11.176 9.750 ( -2.910 -4.628 3.211) 6.340 9.750 ( 2.910 -4.628 3.211) 6.340 10.181 ( -5.150 3.684 -0.508) 6.352 10.181 ( 5.150 3.684 -0.508) 6.352 15.733 ( -7.455 -4.602 0.612) 8.783 15.733 ( 7.455 -4.602 0.612) 8.783 15.947 ( -2.010 -3.627 5.251) 6.691 15.947 ( 2.010 -3.627 5.251) 6.691 16.151 ( -4.979 7.152 -1.156) 8.791 16.151 ( 4.979 7.152 -1.156) 8.791 16.527 ( -2.695 11.370 3.492) 12.196 16.527 ( 2.695 11.370 3.492) 12.196 16.862 ( -9.422 -3.028 -4.363) 10.815 16.862 ( 9.422 -3.028 -4.363) 10.815 16.997 ( -4.383 0.242 -1.693) 4.705 16.997 ( 4.383 0.242 -1.693) 4.705 17.095 ( -3.329 11.658 -0.133) 12.125 17.095 ( 3.329 11.658 -0.133) 12.125 17.986 ( -2.627 17.976 5.441) 18.964 17.986 ( 2.627 17.976 5.441) 18.964 20.308 ( -5.872 -7.939 5.986) 11.548 20.308 ( 5.872 -7.939 5.986) 11.548 20.875 ( -15.186 -6.208 -12.606) 20.689 20.875 ( 15.186 -6.208 -12.606) 20.689 35.825 ( -2.199 -0.939 1.430) 2.786 35.825 ( 2.199 -0.939 1.430) 2.786 36.062 ( -0.804 -1.812 -0.127) 1.986 36.062 ( 0.804 -1.812 -0.127) 1.986 36.513 ( -1.116 -10.992 1.386) 11.135 36.513 ( 1.116 -10.992 1.386) 11.135 36.592 ( -0.229 -9.550 -0.921) 9.597 36.592 ( 0.229 -9.550 -0.921) 9.597 37.063 ( -8.910 13.801 2.646) 16.639 37.063 ( 8.910 13.801 2.646) 16.639 37.272 ( -14.468 10.963 -4.143) 18.619 37.272 ( 14.468 10.963 -4.143) 18.619 39.392 ( -0.695 -1.338 -0.593) 1.620 39.392 ( 0.695 -1.338 -0.593) 1.620 39.470 ( -1.482 -1.277 -0.240) 1.971 39.470 ( 1.482 -1.277 -0.240) 1.971 ======================= Grid point 77 (29/60) ======================= q-point: ( 0.00 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.675 ( 0.000 12.002 4.239) 12.728 0.681 ( 0.000 11.852 6.309) 13.427 0.951 ( 0.000 2.141 -5.264) 5.683 0.967 ( 0.000 6.807 -3.426) 7.620 1.088 ( 0.000 3.068 0.299) 3.082 1.106 ( 0.000 -0.766 -0.993) 1.254 1.121 ( 0.000 12.097 7.284) 14.121 1.208 ( 0.000 0.205 1.653) 1.665 1.272 ( 0.000 -1.334 -0.038) 1.334 1.274 ( 0.000 -0.422 0.259) 0.495 1.296 ( 0.000 1.713 1.259) 2.126 1.369 ( 0.000 -2.148 0.311) 2.170 1.380 ( 0.000 0.910 1.794) 2.011 1.430 ( 0.000 1.083 -1.428) 1.792 1.446 ( 0.000 -2.564 2.615) 3.662 1.499 ( 0.000 1.015 0.067) 1.017 1.510 ( 0.000 -0.959 0.276) 0.998 1.552 ( 0.000 -2.065 1.234) 2.406 1.660 ( 0.000 1.349 -5.461) 5.625 1.732 ( 0.000 2.155 0.911) 2.340 1.744 ( 0.000 0.213 -5.279) 5.284 1.786 ( 0.000 1.444 -1.135) 1.836 1.948 ( 0.000 -3.397 2.905) 4.470 2.081 ( 0.000 -3.485 -1.786) 3.916 3.954 ( 0.000 3.367 -5.559) 6.499 3.966 ( 0.000 5.139 -3.595) 6.272 4.132 ( 0.000 6.345 1.736) 6.578 4.193 ( 0.000 5.631 -0.971) 5.714 4.320 ( 0.000 -0.646 2.614) 2.693 4.356 ( 0.000 -2.315 0.429) 2.354 4.547 ( 0.000 -4.325 1.671) 4.637 4.603 ( 0.000 -0.776 -1.083) 1.332 4.691 ( 0.000 -1.080 0.795) 1.341 4.714 ( 0.000 -1.452 0.072) 1.454 4.732 ( 0.000 -3.401 0.414) 3.426 4.764 ( 0.000 -7.498 1.687) 7.685 7.152 ( 0.000 20.390 6.332) 21.351 7.340 ( 0.000 19.238 16.479) 25.331 7.591 ( 0.000 4.147 -9.265) 10.150 8.160 ( 0.000 -5.660 -7.111) 9.089 8.334 ( 0.000 20.241 0.299) 20.243 8.601 ( 0.000 1.572 -2.281) 2.770 8.922 ( 0.000 5.236 7.703) 9.315 9.286 ( 0.000 -1.963 -6.655) 6.939 9.425 ( 0.000 15.295 -7.803) 17.170 9.563 ( 0.000 7.777 -5.946) 9.789 10.025 ( 0.000 6.984 10.781) 12.845 10.383 ( 0.000 4.889 -4.676) 6.765 15.332 ( 0.000 -2.178 4.387) 4.898 15.597 ( 0.000 -9.611 -6.247) 11.463 15.845 ( 0.000 -6.192 7.051) 9.384 15.963 ( 0.000 -10.605 1.516) 10.712 16.315 ( 0.000 -4.583 -0.764) 4.647 16.404 ( 0.000 -0.883 -1.380) 1.638 16.620 ( 0.000 9.424 -0.681) 9.449 16.699 ( 0.000 9.289 -7.454) 11.910 16.951 ( 0.000 2.438 4.726) 5.318 17.036 ( 0.000 -1.140 2.658) 2.892 17.129 ( 0.000 3.200 8.215) 8.816 17.379 ( 0.000 7.929 -2.841) 8.422 17.989 ( 0.000 22.743 9.346) 24.588 18.289 ( 0.000 26.867 2.873) 27.020 18.553 ( 0.000 17.624 -6.306) 18.718 18.644 ( 0.000 12.655 -7.091) 14.506 19.216 ( 0.000 -4.904 6.811) 8.393 19.382 ( 0.000 -6.733 -1.178) 6.835 20.103 ( 0.000 -13.645 -1.217) 13.699 20.221 ( 0.000 -5.606 -7.314) 9.215 35.738 ( 0.000 0.677 1.333) 1.495 35.835 ( 0.000 -1.020 -2.250) 2.470 36.016 ( 0.000 -7.012 3.368) 7.779 36.143 ( 0.000 -11.282 -2.047) 11.467 36.189 ( 0.000 -1.182 2.944) 3.173 36.245 ( 0.000 -2.421 0.671) 2.512 36.336 ( 0.000 -2.978 0.121) 2.980 36.346 ( 0.000 -3.276 -0.367) 3.297 36.991 ( 0.000 7.884 0.282) 7.889 37.012 ( 0.000 7.585 -0.491) 7.601 37.800 ( 0.000 14.069 3.930) 14.608 38.102 ( 0.000 5.513 -8.243) 9.916 39.304 ( 0.000 0.493 1.049) 1.159 39.311 ( 0.000 -1.295 -0.182) 1.307 39.321 ( 0.000 -2.729 0.462) 2.767 39.407 ( 0.000 -4.089 -1.616) 4.397 ======================= Grid point 78 (30/60) ======================= q-point: ( 0.17 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( 4.977 10.274 3.795) 12.030 0.745 ( 5.578 11.308 5.579) 13.788 0.965 ( 1.748 2.548 -4.189) 5.205 1.024 ( 3.931 3.981 -4.108) 6.941 1.104 ( 0.860 0.366 0.543) 1.081 1.123 ( 1.485 1.237 -0.121) 1.936 1.187 ( 4.807 7.579 2.493) 9.315 1.209 ( -0.238 0.455 0.188) 0.547 1.272 ( 2.465 4.780 3.743) 6.553 1.295 ( 1.494 -0.901 -0.080) 1.747 1.330 ( 1.593 -0.792 -0.090) 1.781 1.374 ( 1.055 0.325 1.970) 2.259 1.389 ( 1.573 1.025 1.011) 2.132 1.454 ( 2.267 0.536 1.104) 2.578 1.458 ( 1.324 -2.573 0.372) 2.918 1.507 ( 0.217 -0.507 0.456) 0.716 1.515 ( 1.241 0.967 -0.343) 1.610 1.571 ( 2.103 -1.049 1.271) 2.672 1.634 ( -2.109 1.260 -2.473) 3.486 1.729 ( -0.403 0.136 -1.767) 1.817 1.765 ( -0.944 1.643 -1.461) 2.392 1.781 ( 2.242 1.445 -4.490) 5.223 1.949 ( 0.104 -3.329 2.540) 4.189 2.044 ( -3.662 -2.672 -1.062) 4.656 3.966 ( 1.210 4.590 -3.987) 6.199 3.979 ( 1.022 5.646 -3.436) 6.688 4.121 ( -0.941 5.760 1.312) 5.982 4.178 ( -1.461 5.498 -0.960) 5.769 4.307 ( -1.249 -0.743 2.016) 2.485 4.340 ( -1.530 -1.734 0.065) 2.313 4.417 ( -8.789 0.462 5.227) 10.236 4.545 ( -4.132 -3.277 -0.517) 5.299 4.680 ( -0.544 -1.597 1.218) 2.081 4.704 ( -0.465 -2.948 2.448) 3.860 4.738 ( 1.406 -2.369 -0.559) 2.810 4.858 ( 3.240 -7.664 -2.538) 8.699 7.192 ( 3.751 22.220 7.270) 23.678 7.343 ( 0.549 20.559 15.164) 25.552 7.694 ( 9.402 5.621 -9.571) 14.546 8.210 ( 2.984 0.256 -13.202) 13.537 8.423 ( 9.653 14.809 4.836) 18.327 8.653 ( 4.945 1.230 -1.022) 5.198 8.909 ( -1.167 5.189 6.134) 8.118 9.236 ( -4.092 3.828 -6.700) 8.734 9.493 ( 5.410 9.097 -4.790) 11.617 9.601 ( 3.547 4.583 -4.325) 7.231 10.039 ( 1.717 4.425 9.364) 10.498 10.369 ( -1.338 3.898 -4.425) 6.047 15.375 ( 4.396 -1.827 3.968) 6.198 15.618 ( 2.160 -8.396 -5.484) 10.258 15.839 ( -0.741 -6.560 6.232) 9.079 15.947 ( -1.693 -9.776 0.862) 9.959 16.318 ( 0.639 -1.901 0.230) 2.019 16.421 ( 0.484 1.341 -2.748) 3.096 16.609 ( -0.428 9.679 1.646) 9.827 16.709 ( 0.690 7.415 -2.997) 8.027 16.922 ( -4.681 3.641 3.772) 7.029 16.968 ( -4.210 2.037 4.831) 6.724 17.084 ( -1.979 6.636 2.964) 7.533 17.303 ( -6.900 7.816 -2.219) 10.660 17.837 ( -15.019 23.239 6.641) 28.456 18.089 ( -22.725 23.679 1.727) 32.865 18.348 ( -6.459 12.460 -4.255) 14.665 18.448 ( -8.608 12.966 -8.074) 17.533 19.587 ( 19.353 -4.278 6.703) 20.923 19.665 ( 28.720 -2.200 7.839) 29.852 20.161 ( 5.922 -12.408 -2.730) 14.017 20.532 ( 21.134 -12.159 -14.333) 28.283 35.747 ( 0.968 0.554 1.398) 1.788 35.838 ( 0.113 -1.044 -1.781) 2.068 36.007 ( -0.653 -5.778 2.469) 6.317 36.084 ( -3.168 -5.962 -0.157) 6.753 36.246 ( 3.308 -6.057 1.272) 7.018 36.309 ( 4.705 -4.479 -0.353) 6.505 36.343 ( 1.036 -3.602 0.743) 3.821 36.374 ( 2.260 -4.328 -0.663) 4.927 37.027 ( 3.557 8.387 0.445) 9.121 37.057 ( 4.955 7.976 -0.657) 9.413 37.724 ( -7.413 13.668 3.656) 15.973 37.996 ( -10.024 6.286 -6.949) 13.722 39.312 ( 1.133 -0.531 0.346) 1.298 39.329 ( 1.347 -1.467 -0.448) 2.042 39.348 ( 2.533 -1.596 0.899) 3.126 39.417 ( 0.893 -3.699 -1.296) 4.020 ======================= Grid point 79 (31/60) ======================= q-point: ( 0.33 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( 6.304 7.463 3.064) 10.238 0.866 ( 6.338 8.866 3.889) 11.572 1.008 ( 1.861 2.786 -1.675) 3.746 1.062 ( -1.906 3.415 -0.715) 3.976 1.105 ( 0.118 0.906 0.022) 0.914 1.124 ( -0.578 0.019 -0.764) 0.958 1.210 ( 0.583 2.765 -3.688) 4.646 1.233 ( 0.620 0.813 -1.851) 2.114 1.303 ( -0.551 -0.934 -0.501) 1.195 1.316 ( -0.906 -1.503 0.051) 1.755 1.406 ( 2.057 0.577 1.643) 2.695 1.423 ( 6.547 3.868 2.600) 8.036 1.447 ( 2.460 0.885 1.455) 2.992 1.487 ( 0.936 1.356 2.244) 2.783 1.509 ( 3.945 0.705 0.460) 4.034 1.530 ( 3.076 0.542 1.843) 3.626 1.560 ( 2.777 1.242 -1.611) 3.442 1.598 ( -0.832 0.108 -0.861) 1.202 1.637 ( 4.685 0.631 1.775) 5.050 1.711 ( -1.348 0.020 -1.446) 1.977 1.727 ( -2.275 1.930 -1.405) 3.298 1.850 ( 3.890 0.318 -4.202) 5.735 1.938 ( -5.857 -0.755 1.058) 5.999 1.949 ( -1.526 -2.230 0.651) 2.780 3.995 ( 1.212 7.552 -1.854) 7.870 3.998 ( 1.010 6.922 -0.874) 7.049 4.106 ( -0.311 4.412 -0.048) 4.423 4.145 ( -1.653 5.031 -1.052) 5.399 4.273 ( -2.455 1.214 2.106) 3.455 4.284 ( -2.095 -1.513 4.412) 5.113 4.339 ( -0.028 -2.351 0.907) 2.520 4.455 ( -4.745 -3.498 -0.714) 5.938 4.669 ( -0.445 -1.415 1.447) 2.072 4.688 ( -1.076 -1.969 1.972) 2.987 4.773 ( 2.079 -3.786 -1.036) 4.442 4.868 ( -1.607 -7.046 -3.021) 7.833 7.279 ( 4.411 25.423 9.481) 27.489 7.358 ( 0.522 23.973 13.636) 27.585 7.912 ( 11.762 8.251 -11.869) 18.636 8.224 ( -2.065 8.714 -16.091) 18.415 8.672 ( 12.916 6.143 3.542) 14.735 8.765 ( 5.618 1.816 0.759) 5.953 8.889 ( -0.153 5.318 4.180) 6.766 9.139 ( -5.908 6.530 -4.163) 9.741 9.596 ( 4.695 2.801 0.045) 5.467 9.675 ( 2.626 -0.443 -0.525) 2.714 10.106 ( 5.252 0.611 4.152) 6.723 10.326 ( -3.390 1.781 -3.610) 5.262 15.498 ( 7.719 -2.072 3.122) 8.581 15.679 ( 3.464 -5.596 -3.540) 7.473 15.807 ( -2.617 -7.759 4.643) 9.414 15.893 ( -3.778 -7.818 0.174) 8.685 16.345 ( 1.911 4.648 1.189) 5.164 16.401 ( -1.188 11.194 -0.094) 11.257 16.644 ( 2.940 -1.254 3.338) 4.622 16.715 ( 1.089 8.817 1.734) 9.052 16.805 ( -6.772 6.095 0.642) 9.133 16.898 ( -3.368 4.690 3.057) 6.533 17.069 ( -0.318 9.260 -2.676) 9.644 17.189 ( -1.902 7.691 -0.845) 7.967 17.542 ( -12.912 19.739 -0.341) 23.590 17.613 ( -20.897 18.651 -1.060) 28.030 18.298 ( -0.197 12.365 0.349) 12.371 18.359 ( -2.796 13.303 -1.621) 13.690 19.932 ( 15.360 -5.200 7.149) 17.722 20.125 ( 10.287 -5.663 10.606) 15.823 20.377 ( 18.924 -8.041 -8.168) 22.124 20.805 ( 4.953 -12.420 -14.030) 19.381 35.774 ( 1.685 0.152 1.346) 2.162 35.833 ( -0.714 -0.934 -0.422) 1.249 35.998 ( -0.115 -4.302 0.716) 4.362 36.034 ( -1.977 -4.506 -0.222) 4.925 36.308 ( 2.755 -6.361 1.387) 7.069 36.350 ( 0.533 -4.751 0.885) 4.862 36.398 ( 2.885 -6.496 -0.763) 7.149 36.416 ( 1.642 -6.019 -0.886) 6.301 37.132 ( 7.269 9.633 1.228) 12.130 37.212 ( 10.588 8.343 -1.607) 13.576 37.533 ( -11.182 12.524 3.048) 17.064 37.748 ( -14.328 7.232 -4.854) 16.768 39.342 ( 1.555 -1.034 -0.240) 1.883 39.356 ( 1.066 -1.470 -0.648) 1.928 39.403 ( 2.645 -1.463 0.623) 3.086 39.436 ( 0.828 -2.760 -0.527) 2.930 ======================= Grid point 80 (32/60) ======================= q-point: (-0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( -2.179 4.863 2.765) 6.003 0.951 ( 2.179 4.863 2.765) 6.003 1.001 ( -1.093 5.926 1.323) 6.170 1.001 ( 1.093 5.926 1.323) 6.170 1.115 ( -1.090 0.002 -1.627) 1.959 1.115 ( 1.090 0.002 -1.627) 1.959 1.227 ( -1.125 2.602 -4.114) 4.997 1.227 ( 1.125 2.602 -4.114) 4.997 1.299 ( -0.526 -1.781 -0.049) 1.858 1.299 ( 0.526 -1.781 -0.049) 1.858 1.444 ( -1.410 0.563 1.217) 1.946 1.444 ( 1.410 0.563 1.217) 1.946 1.484 ( -0.819 -0.562 1.989) 2.224 1.484 ( 0.819 -0.562 1.989) 2.224 1.560 ( -1.182 1.747 0.538) 2.177 1.560 ( 1.182 1.747 0.538) 2.177 1.616 ( -0.424 0.511 -2.126) 2.227 1.616 ( 0.424 0.511 -2.126) 2.227 1.690 ( -0.695 1.095 -0.865) 1.559 1.690 ( 0.695 1.095 -0.865) 1.559 1.778 ( -8.873 2.244 3.214) 9.700 1.778 ( 8.873 2.244 3.214) 9.700 1.918 ( -2.515 -1.155 -1.860) 3.335 1.918 ( 2.515 -1.155 -1.860) 3.335 4.008 ( -0.257 8.315 0.128) 8.320 4.008 ( 0.257 8.315 0.128) 8.320 4.116 ( -1.203 4.280 -1.200) 4.605 4.116 ( 1.203 4.280 -1.200) 4.605 4.256 ( -0.718 -0.761 3.402) 3.559 4.256 ( 0.718 -0.761 3.402) 3.559 4.373 ( -3.240 -3.135 -0.555) 4.543 4.373 ( 3.240 -3.135 -0.555) 4.543 4.669 ( -0.584 -1.401 1.706) 2.283 4.669 ( 0.584 -1.401 1.706) 2.283 4.821 ( -2.706 -5.507 -2.191) 6.515 4.821 ( 2.706 -5.507 -2.191) 6.515 7.345 ( -2.041 26.317 11.835) 28.928 7.345 ( 2.041 26.317 11.835) 28.928 8.119 ( -8.461 10.183 -14.680) 19.768 8.119 ( 8.461 10.183 -14.680) 19.768 8.811 ( -2.211 2.022 0.437) 3.028 8.811 ( 2.211 2.022 0.437) 3.028 8.991 ( -9.153 7.354 1.373) 11.822 8.991 ( 9.153 7.354 1.373) 11.822 9.672 ( -2.643 -1.618 2.267) 3.839 9.672 ( 2.643 -1.618 2.267) 3.839 10.229 ( -6.302 0.082 -1.376) 6.451 10.229 ( 6.302 0.082 -1.376) 6.451 15.653 ( -6.894 -3.594 1.903) 8.004 15.653 ( 6.894 -3.594 1.903) 8.004 15.812 ( -3.882 -7.099 0.394) 8.101 15.812 ( 3.882 -7.099 0.394) 8.101 16.384 ( -1.539 11.494 1.024) 11.641 16.384 ( 1.539 11.494 1.024) 11.641 16.684 ( -3.500 0.248 0.228) 3.516 16.684 ( 3.500 0.248 0.228) 3.516 16.805 ( -5.826 6.342 4.742) 9.832 16.805 ( 5.826 6.342 4.742) 9.832 17.137 ( -6.618 10.227 -5.029) 13.179 17.137 ( 6.618 10.227 -5.029) 13.179 17.390 ( -2.645 17.362 -0.118) 17.562 17.390 ( 2.645 17.362 -0.118) 17.562 18.315 ( -1.697 12.444 0.940) 12.594 18.315 ( 1.697 12.444 0.940) 12.594 20.146 ( -5.665 -6.343 7.074) 11.062 20.146 ( 5.665 -6.343 7.074) 11.062 20.725 ( -12.396 -8.701 -9.556) 17.907 20.725 ( 12.396 -8.701 -9.556) 17.907 35.809 ( -1.655 -0.446 0.844) 1.911 35.809 ( 1.655 -0.446 0.844) 1.911 36.006 ( -0.894 -3.898 -0.266) 4.008 36.006 ( 0.894 -3.898 -0.266) 4.008 36.346 ( -1.061 -5.825 1.324) 6.067 36.346 ( 1.061 -5.825 1.324) 6.067 36.429 ( -0.375 -6.771 -1.003) 6.855 36.429 ( 0.375 -6.771 -1.003) 6.855 37.309 ( -10.368 11.132 2.010) 15.345 37.309 ( 10.368 11.132 2.010) 15.345 37.463 ( -13.892 7.888 -2.873) 16.231 37.463 ( 13.892 7.888 -2.873) 16.231 39.363 ( -0.425 -1.315 -0.604) 1.508 39.363 ( 0.425 -1.315 -0.604) 1.508 39.439 ( -0.791 -1.911 0.160) 2.075 39.439 ( 0.791 -1.911 0.160) 2.075 ======================= Grid point 84 (33/60) ======================= q-point: ( 0.00 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( 0.000 8.723 1.713) 8.890 0.902 ( 0.000 10.465 3.523) 11.042 0.996 ( 0.000 2.344 -1.709) 2.901 1.076 ( 0.000 2.535 -0.956) 2.710 1.085 ( 0.000 -1.409 0.040) 1.410 1.103 ( 0.000 1.851 -2.709) 3.281 1.220 ( 0.000 0.932 1.222) 1.537 1.228 ( 0.000 -3.695 1.184) 3.880 1.246 ( 0.000 -1.231 0.044) 1.232 1.299 ( 0.000 3.659 -1.203) 3.852 1.317 ( 0.000 -1.404 1.145) 1.812 1.376 ( 0.000 2.857 3.218) 4.303 1.385 ( 0.000 -0.332 1.487) 1.524 1.407 ( 0.000 -1.005 3.868) 3.996 1.429 ( 0.000 -1.290 -1.736) 2.163 1.484 ( 0.000 -2.266 -1.021) 2.486 1.524 ( 0.000 2.267 -1.871) 2.940 1.574 ( 0.000 5.794 1.748) 6.052 1.656 ( 0.000 -1.274 -5.595) 5.738 1.752 ( 0.000 -1.321 -3.750) 3.975 1.773 ( 0.000 2.182 1.247) 2.513 1.810 ( 0.000 1.369 -0.017) 1.369 1.892 ( 0.000 -1.714 3.208) 3.638 1.996 ( 0.000 -4.997 -0.993) 5.094 3.988 ( 0.000 0.910 -4.054) 4.155 4.019 ( 0.000 0.439 -4.604) 4.625 4.258 ( 0.000 6.068 1.439) 6.237 4.283 ( 0.000 3.389 0.001) 3.389 4.311 ( 0.000 0.017 3.002) 3.002 4.330 ( 0.000 -0.371 1.623) 1.664 4.455 ( 0.000 -4.298 1.851) 4.679 4.548 ( 0.000 -5.173 -1.302) 5.334 4.668 ( 0.000 -0.690 0.282) 0.745 4.681 ( 0.000 -1.419 0.410) 1.477 4.683 ( 0.000 -1.366 -0.275) 1.393 4.692 ( 0.000 -1.218 -0.174) 1.230 7.455 ( 0.000 10.404 1.605) 10.527 7.627 ( 0.000 -0.281 -4.640) 4.649 7.691 ( 0.000 15.305 8.228) 17.377 8.047 ( 0.000 -5.889 -2.273) 6.312 8.685 ( 0.000 13.222 -4.093) 13.841 8.685 ( 0.000 6.473 -4.204) 7.718 9.062 ( 0.000 8.333 8.949) 12.228 9.249 ( 0.000 -1.936 -1.582) 2.500 9.651 ( 0.000 6.816 -9.017) 11.303 9.671 ( 0.000 3.226 -4.901) 5.868 10.180 ( 0.000 9.040 8.559) 12.449 10.431 ( 0.000 -0.571 -2.693) 2.753 15.330 ( 0.000 1.344 0.679) 1.505 15.453 ( 0.000 -5.465 -4.093) 6.828 15.743 ( 0.000 -3.769 6.062) 7.138 15.792 ( 0.000 -6.608 3.506) 7.480 16.267 ( 0.000 -0.404 -0.172) 0.439 16.357 ( 0.000 -3.378 -2.166) 4.013 16.756 ( 0.000 4.077 -0.884) 4.172 16.815 ( 0.000 1.408 -4.551) 4.763 16.992 ( 0.000 2.533 4.715) 5.352 17.026 ( 0.000 0.306 3.684) 3.697 17.255 ( 0.000 9.471 5.162) 10.787 17.487 ( 0.000 2.106 -3.811) 4.354 18.372 ( 0.000 16.652 3.733) 17.065 18.651 ( 0.000 9.223 -6.339) 11.192 18.897 ( 0.000 7.044 3.035) 7.670 18.909 ( 0.000 10.867 3.391) 11.383 19.209 ( 0.000 9.453 -0.266) 9.457 19.309 ( 0.000 6.432 -4.331) 7.754 19.834 ( 0.000 -13.984 2.846) 14.271 20.034 ( 0.000 -13.892 -4.684) 14.660 35.763 ( 0.000 2.038 0.801) 2.190 35.826 ( 0.000 0.172 -1.607) 1.616 35.908 ( 0.000 -4.133 0.751) 4.201 35.949 ( 0.000 -8.055 -0.613) 8.079 36.178 ( 0.000 -0.047 1.899) 1.900 36.210 ( 0.000 -1.528 0.805) 1.728 36.298 ( 0.000 -1.172 -0.420) 1.245 36.301 ( 0.000 -1.444 -0.431) 1.507 37.118 ( 0.000 4.840 0.224) 4.846 37.130 ( 0.000 4.247 -0.177) 4.251 38.020 ( 0.000 8.422 1.653) 8.583 38.158 ( 0.000 0.658 -3.601) 3.661 39.278 ( 0.000 -1.571 -0.319) 1.603 39.284 ( 0.000 -1.401 -0.728) 1.578 39.313 ( 0.000 0.385 1.007) 1.078 39.343 ( 0.000 -2.156 0.030) 2.157 ======================= Grid point 85 (34/60) ======================= q-point: ( 0.17 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( 2.742 7.749 1.525) 8.360 0.953 ( 4.018 9.381 2.966) 10.627 1.013 ( 1.865 2.671 -0.814) 3.358 1.074 ( 0.733 0.138 -0.341) 0.820 1.097 ( 0.967 -0.798 0.095) 1.257 1.150 ( 2.181 2.439 -1.354) 3.541 1.224 ( 0.974 1.444 -0.738) 1.892 1.247 ( 0.639 -0.314 -0.560) 0.906 1.257 ( 1.818 -2.292 -0.071) 2.926 1.305 ( 0.078 0.305 -1.043) 1.089 1.354 ( 2.679 -2.230 0.566) 3.531 1.381 ( 0.197 0.204 1.674) 1.697 1.423 ( 4.419 1.825 2.435) 5.366 1.430 ( 1.083 -0.090 0.462) 1.180 1.442 ( 2.628 -1.358 2.416) 3.819 1.506 ( 2.030 -1.536 -1.163) 2.798 1.542 ( 1.911 3.488 -1.195) 4.153 1.592 ( 1.965 4.833 1.674) 5.479 1.651 ( -0.517 0.301 -2.781) 2.844 1.750 ( -0.268 1.507 -0.622) 1.652 1.779 ( 0.628 -1.916 -2.638) 3.320 1.802 ( -0.484 2.162 -0.395) 2.250 1.897 ( 0.496 -1.607 2.375) 2.910 1.975 ( -2.076 -4.284 -0.920) 4.849 4.012 ( 2.439 1.184 -3.428) 4.371 4.042 ( 2.170 0.854 -4.034) 4.659 4.237 ( -1.911 5.508 1.147) 5.942 4.264 ( -1.724 3.242 -0.017) 3.672 4.295 ( -1.495 0.164 2.583) 2.989 4.319 ( -0.995 -0.421 1.535) 1.877 4.405 ( -4.741 -1.896 1.543) 5.334 4.471 ( -5.084 -4.020 -0.095) 6.482 4.663 ( -0.488 -0.124 0.339) 0.607 4.669 ( -0.052 -0.633 0.428) 0.766 4.698 ( 0.427 -1.737 -0.072) 1.790 4.737 ( 2.003 -4.615 -1.087) 5.147 7.534 ( 7.473 12.352 2.175) 14.599 7.707 ( 6.487 10.214 0.418) 12.107 7.777 ( 9.013 7.831 1.800) 12.075 8.145 ( 8.673 -5.119 -4.544) 11.048 8.716 ( 2.684 8.398 -3.642) 9.539 8.718 ( 3.811 7.741 -2.800) 9.071 9.041 ( -1.991 7.941 8.025) 11.464 9.238 ( -1.473 -1.637 -0.931) 2.391 9.673 ( 0.963 4.310 -4.140) 6.054 9.698 ( 3.668 6.311 -7.376) 10.377 10.135 ( -3.907 6.381 8.281) 11.160 10.392 ( -3.775 -2.096 -3.087) 5.307 15.373 ( 4.215 1.183 0.932) 4.476 15.489 ( 3.592 -5.021 -3.436) 7.066 15.736 ( -0.964 -3.643 5.216) 6.434 15.787 ( -0.626 -6.270 2.640) 6.832 16.297 ( 3.194 0.331 0.562) 3.259 16.394 ( 3.568 -3.009 -1.985) 5.073 16.765 ( -2.155 4.208 -0.455) 4.750 16.788 ( 0.012 1.372 -1.022) 1.711 16.961 ( -2.620 3.128 4.987) 6.443 17.059 ( 3.289 3.443 0.074) 4.762 17.248 ( -0.533 10.505 4.253) 11.346 17.437 ( -4.796 4.673 -2.738) 7.234 18.222 ( -15.209 15.477 3.600) 21.996 18.457 ( -26.999 13.886 0.677) 30.368 18.490 ( -10.317 2.042 -2.298) 10.765 18.672 ( -12.994 5.881 -7.090) 15.928 19.618 ( 20.243 9.051 3.262) 22.413 19.672 ( 28.700 3.839 4.851) 29.359 19.942 ( 10.021 -9.570 1.208) 13.910 20.274 ( 17.961 -14.968 -7.979) 24.704 35.771 ( 0.769 1.964 0.798) 2.255 35.829 ( 0.168 0.213 -1.330) 1.357 35.911 ( 0.197 -3.977 0.548) 4.019 35.942 ( -0.535 -6.991 -0.442) 7.026 36.196 ( 1.820 -0.401 1.843) 2.621 36.244 ( 2.813 -2.538 0.283) 3.799 36.299 ( 0.163 -1.212 -0.046) 1.224 36.313 ( 0.929 -2.036 -0.614) 2.321 37.160 ( 4.186 5.024 0.287) 6.545 37.178 ( 5.087 4.196 -0.345) 6.603 37.938 ( -7.984 8.229 1.546) 11.569 38.066 ( -8.898 1.197 -3.231) 9.542 39.295 ( 1.568 -0.973 -0.354) 1.879 39.301 ( 1.582 -1.195 -0.514) 2.048 39.333 ( 1.899 -0.224 0.774) 2.063 39.357 ( 1.304 -2.161 0.084) 2.525 ======================= Grid point 86 (35/60) ======================= q-point: ( 0.33 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( 3.532 5.444 1.033) 6.571 1.017 ( 2.223 4.405 1.148) 5.065 1.072 ( 3.493 5.346 1.915) 6.667 1.096 ( 1.016 -1.082 0.400) 1.538 1.107 ( -0.030 0.395 -0.105) 0.410 1.158 ( -0.856 3.394 0.781) 3.586 1.244 ( 0.501 1.002 -2.314) 2.571 1.260 ( 0.644 2.027 -2.991) 3.670 1.288 ( 0.845 -1.713 -0.944) 2.131 1.299 ( -0.610 0.296 -1.070) 1.267 1.385 ( 0.702 -3.554 0.115) 3.625 1.390 ( 0.435 -2.751 -0.137) 2.789 1.454 ( 2.007 0.220 1.771) 2.685 1.509 ( 2.262 0.391 1.319) 2.648 1.521 ( 3.928 -0.235 2.419) 4.619 1.549 ( 1.981 -1.600 -0.506) 2.596 1.601 ( 3.863 3.443 -0.862) 5.246 1.624 ( 0.449 3.455 0.882) 3.594 1.671 ( 3.376 1.474 2.898) 4.687 1.734 ( -1.259 2.537 -1.498) 3.204 1.778 ( 0.012 2.328 -1.213) 2.625 1.831 ( 2.844 -1.630 -2.040) 3.862 1.907 ( 0.182 -1.454 0.124) 1.470 1.920 ( -3.315 -1.721 -0.621) 3.786 4.077 ( 3.863 1.875 -2.218) 4.833 4.094 ( 2.890 2.322 -2.461) 4.449 4.195 ( -2.087 4.538 0.510) 5.021 4.223 ( -2.407 2.712 -0.750) 3.702 4.264 ( -1.222 0.089 2.441) 2.731 4.295 ( -1.549 -0.165 0.459) 1.624 4.312 ( -3.242 0.014 2.146) 3.888 4.380 ( -4.250 -3.855 0.107) 5.739 4.653 ( -0.388 -0.050 0.549) 0.674 4.663 ( -0.590 -0.505 0.734) 1.069 4.706 ( 0.537 -2.850 -0.433) 2.933 4.746 ( -0.768 -5.087 -1.333) 5.314 7.708 ( 8.829 17.344 3.253) 19.732 7.821 ( 4.043 21.634 4.952) 22.558 8.015 ( 13.496 1.859 -6.235) 14.982 8.296 ( 3.965 -1.372 -9.728) 10.594 8.785 ( 4.388 4.234 -0.501) 6.118 8.830 ( 6.705 4.040 -0.431) 7.840 8.999 ( -1.626 5.553 6.183) 8.469 9.176 ( -5.035 -1.627 -0.056) 5.292 9.698 ( 1.804 5.406 -0.308) 5.708 9.771 ( 1.885 9.883 -4.569) 11.050 10.079 ( 0.081 -2.381 5.150) 5.674 10.293 ( -6.087 -5.275 -3.345) 8.721 15.482 ( 6.389 0.413 1.600) 6.599 15.583 ( 5.489 -4.343 -2.009) 7.282 15.697 ( -3.052 -3.142 3.725) 5.750 15.760 ( -2.252 -5.557 1.005) 6.080 16.393 ( 6.348 1.854 1.762) 6.844 16.487 ( 5.588 -1.431 -1.482) 5.955 16.673 ( -5.689 3.156 2.841) 7.099 16.765 ( -5.173 -2.062 -0.387) 5.582 16.945 ( 2.995 11.304 4.915) 12.685 17.143 ( 2.994 10.439 -2.277) 11.096 17.233 ( -0.686 7.896 2.045) 8.185 17.338 ( -3.151 7.267 -0.991) 7.983 17.897 ( -14.533 16.033 -0.018) 21.639 17.972 ( -20.051 17.505 -1.264) 26.647 18.373 ( -2.681 -4.705 -0.977) 5.503 18.471 ( -7.515 -3.091 -4.916) 9.497 19.970 ( 14.250 9.571 4.876) 17.845 20.079 ( 9.459 1.553 8.160) 12.588 20.242 ( 20.365 -5.867 -3.778) 21.527 20.549 ( 7.752 -14.096 -7.928) 17.934 35.791 ( 1.201 1.648 0.686) 2.152 35.828 ( -0.333 0.500 -0.538) 0.807 35.916 ( 0.301 -3.846 0.052) 3.858 35.931 ( -0.532 -5.328 -0.310) 5.363 36.241 ( 2.384 -1.073 1.472) 3.000 36.293 ( 0.871 -2.112 -0.203) 2.294 36.304 ( 1.067 -2.888 0.289) 3.093 36.329 ( 0.534 -3.033 -0.664) 3.150 37.284 ( 8.443 5.807 0.664) 10.269 37.330 ( 10.188 3.679 -0.961) 10.875 37.731 ( -12.244 7.668 1.362) 14.511 37.838 ( -13.451 2.092 -2.501) 13.841 39.329 ( 1.646 -0.115 -0.322) 1.682 39.335 ( 1.505 -0.538 -0.316) 1.629 39.375 ( 1.993 -1.326 0.424) 2.431 39.386 ( 1.391 -2.186 0.202) 2.599 ======================= Grid point 87 (36/60) ======================= q-point: (-0.50 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( -1.452 2.973 1.088) 3.483 1.030 ( 1.452 2.973 1.088) 3.483 1.103 ( -0.175 0.258 0.278) 0.418 1.103 ( 0.175 0.258 0.278) 0.418 1.130 ( -1.990 5.231 1.477) 5.788 1.130 ( 1.990 5.231 1.477) 5.788 1.256 ( -0.787 1.022 -2.542) 2.851 1.256 ( 0.787 1.022 -2.542) 2.851 1.293 ( -0.050 0.547 -1.765) 1.849 1.293 ( 0.050 0.547 -1.765) 1.849 1.392 ( -0.169 -4.244 -0.567) 4.285 1.392 ( 0.169 -4.244 -0.567) 4.285 1.499 ( -2.112 1.231 2.526) 3.515 1.499 ( 2.112 1.231 2.526) 3.515 1.569 ( -0.816 -1.719 1.014) 2.156 1.569 ( 0.816 -1.719 1.014) 2.156 1.637 ( -0.588 2.821 0.261) 2.893 1.637 ( 0.588 2.821 0.261) 2.893 1.716 ( -0.755 0.534 -0.303) 0.974 1.716 ( 0.755 0.534 -0.303) 0.974 1.825 ( -4.216 2.407 -0.004) 4.855 1.825 ( 4.216 2.407 -0.004) 4.855 1.895 ( -1.575 -1.183 -1.473) 2.460 1.895 ( 1.575 -1.183 -1.473) 2.460 4.138 ( -0.158 4.540 -0.922) 4.635 4.138 ( 0.158 4.540 -0.922) 4.635 4.171 ( -1.609 1.514 -1.127) 2.480 4.171 ( 1.609 1.514 -1.127) 2.480 4.259 ( -0.836 0.770 1.866) 2.185 4.259 ( 0.836 0.770 1.866) 2.185 4.312 ( -2.215 -2.726 0.455) 3.542 4.312 ( 2.215 -2.726 0.455) 3.542 4.652 ( -0.317 -0.232 0.784) 0.877 4.652 ( 0.317 -0.232 0.784) 0.877 4.723 ( -1.218 -4.153 -1.031) 4.449 4.723 ( 1.218 -4.153 -1.031) 4.449 7.833 ( -3.123 22.131 4.379) 22.775 7.833 ( 3.123 22.131 4.379) 22.775 8.246 ( -8.521 1.763 -9.917) 13.194 8.246 ( 8.521 1.763 -9.917) 13.194 8.874 ( -3.309 4.302 1.493) 5.629 8.874 ( 3.309 4.302 1.493) 5.629 9.050 ( -6.860 -1.600 1.961) 7.312 9.050 ( 6.860 -1.600 1.961) 7.312 9.747 ( -2.956 9.253 0.665) 9.737 9.747 ( 2.956 9.253 0.665) 9.737 10.161 ( -6.789 -7.071 -1.407) 9.903 10.161 ( 6.789 -7.072 -1.408) 9.903 15.604 ( -5.455 -1.033 2.305) 6.012 15.604 ( 5.455 -1.033 2.305) 6.012 15.693 ( -4.431 -5.068 -0.249) 6.737 15.693 ( 4.431 -5.068 -0.249) 6.737 16.529 ( -6.242 4.083 1.788) 7.670 16.529 ( 6.242 4.083 1.788) 7.670 16.631 ( -6.310 -2.771 0.399) 6.903 16.631 ( 6.310 -2.771 0.399) 6.903 17.058 ( -7.292 14.840 4.097) 17.035 17.058 ( 7.292 14.840 4.097) 17.035 17.301 ( -3.524 4.881 -2.874) 6.671 17.301 ( 3.524 4.881 -2.874) 6.671 17.743 ( -1.300 18.674 -1.267) 18.762 17.743 ( 1.300 18.674 -1.267) 18.762 18.373 ( -2.554 -6.986 -2.383) 7.811 18.373 ( 2.554 -6.986 -2.383) 7.811 20.142 ( -2.841 6.303 5.637) 8.920 20.142 ( 2.841 6.303 5.637) 8.920 20.543 ( -8.447 -10.064 -5.062) 14.081 20.543 ( 8.447 -10.064 -5.062) 14.081 35.814 ( -1.036 1.084 0.275) 1.525 35.814 ( 1.036 1.084 0.275) 1.525 35.922 ( -0.390 -4.243 -0.275) 4.270 35.922 ( 0.390 -4.243 -0.275) 4.270 36.280 ( -1.452 -1.395 0.887) 2.200 36.280 ( 1.452 -1.395 0.887) 2.200 36.329 ( -0.690 -3.711 -0.556) 3.815 36.329 ( 0.690 -3.711 -0.556) 3.815 37.486 ( -11.534 6.867 0.971) 13.459 37.486 ( 11.534 6.867 0.971) 13.459 37.568 ( -13.117 2.833 -1.612) 13.516 37.568 ( 13.117 2.833 -1.612) 13.516 39.349 ( -0.188 0.041 -0.276) 0.336 39.349 ( 0.188 0.041 -0.276) 0.336 39.399 ( -0.277 -2.022 0.269) 2.059 39.399 ( 0.277 -2.022 0.269) 2.059 ======================= Grid point 91 (37/60) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( 0.000 -3.068 -0.153) 3.072 1.001 ( 0.000 3.068 -0.153) 3.072 1.056 ( 0.000 -2.522 0.557) 2.582 1.056 ( 0.000 2.522 0.557) 2.582 1.093 ( 0.000 -5.325 1.483) 5.527 1.093 ( 0.000 5.325 1.483) 5.527 1.204 ( 0.000 -2.121 -0.264) 2.138 1.204 ( 0.000 2.121 -0.264) 2.138 1.266 ( 0.000 -2.812 1.165) 3.044 1.266 ( 0.000 2.812 1.165) 3.044 1.357 ( 0.000 -2.779 -1.482) 3.149 1.357 ( 0.000 2.779 -1.482) 3.149 1.402 ( 0.000 -0.617 1.995) 2.088 1.402 ( 0.000 0.617 1.995) 2.088 1.429 ( 0.000 -2.894 -0.253) 2.905 1.429 ( 0.000 2.894 -0.253) 2.905 1.600 ( 0.000 -4.464 -4.519) 6.352 1.600 ( 0.000 4.464 -4.519) 6.352 1.691 ( 0.000 -4.527 -0.022) 4.527 1.691 ( 0.000 4.527 -0.022) 4.527 1.817 ( 0.000 -1.819 1.047) 2.099 1.817 ( 0.000 1.819 1.047) 2.099 1.904 ( 0.000 -3.626 1.009) 3.764 1.904 ( 0.000 3.626 1.009) 3.764 4.006 ( 0.000 -1.088 -4.349) 4.483 4.006 ( 0.000 1.088 -4.349) 4.483 4.317 ( 0.000 -0.420 0.554) 0.695 4.317 ( 0.000 0.420 0.554) 0.695 4.330 ( 0.000 -0.855 2.933) 3.055 4.330 ( 0.000 0.855 2.933) 3.055 4.441 ( 0.000 -4.264 -0.188) 4.269 4.441 ( 0.000 4.264 -0.188) 4.269 4.668 ( 0.000 -0.252 -0.184) 0.312 4.668 ( 0.000 0.252 -0.184) 0.312 4.674 ( 0.000 -0.567 0.027) 0.567 4.674 ( 0.000 0.567 0.027) 0.567 7.586 ( 0.000 -3.952 -1.142) 4.113 7.586 ( 0.000 3.952 -1.142) 4.113 7.916 ( 0.000 -8.312 1.211) 8.400 7.916 ( 0.000 8.312 1.211) 8.400 8.790 ( 0.000 -1.998 -6.674) 6.967 8.790 ( 0.000 1.998 -6.674) 6.967 9.196 ( 0.000 -4.435 6.274) 7.683 9.196 ( 0.000 4.435 6.274) 7.683 9.703 ( 0.000 -0.214 -5.302) 5.306 9.703 ( 0.000 0.214 -5.302) 5.306 10.351 ( 0.000 -7.335 1.772) 7.546 10.351 ( 0.000 7.335 1.772) 7.546 15.373 ( 0.000 -3.004 -1.670) 3.437 15.373 ( 0.000 3.004 -1.670) 3.437 15.715 ( 0.000 -1.158 4.891) 5.026 15.715 ( 0.000 1.158 4.891) 5.026 16.293 ( 0.000 -2.744 -0.942) 2.902 16.293 ( 0.000 2.744 -0.942) 2.902 16.802 ( 0.000 -1.474 -1.942) 2.438 16.802 ( 0.000 1.474 -1.942) 2.438 17.029 ( 0.000 -0.732 4.376) 4.436 17.029 ( 0.000 0.732 4.376) 4.436 17.436 ( 0.000 -7.156 -0.723) 7.192 17.436 ( 0.000 7.156 -0.723) 7.192 18.646 ( 0.000 -10.016 2.429) 10.307 18.646 ( 0.000 10.016 2.429) 10.307 18.918 ( 0.000 -0.201 -3.723) 3.728 18.918 ( 0.000 0.201 -3.723) 3.728 19.518 ( 0.000 -15.249 1.360) 15.309 19.518 ( 0.000 15.249 1.360) 15.309 19.687 ( 0.000 -19.640 -1.135) 19.673 19.687 ( 0.000 19.640 -1.135) 19.673 35.821 ( 0.000 -3.508 -0.187) 3.513 35.821 ( 0.000 3.508 -0.187) 3.513 35.853 ( 0.000 -0.992 -0.290) 1.034 35.853 ( 0.000 0.992 -0.290) 1.034 36.186 ( 0.000 -0.844 1.271) 1.526 36.186 ( 0.000 0.844 1.271) 1.526 36.287 ( 0.000 -0.053 -0.479) 0.482 36.287 ( 0.000 0.053 -0.479) 0.482 37.169 ( 0.000 -0.297 0.075) 0.307 37.169 ( 0.000 0.297 0.075) 0.307 38.132 ( 0.000 -3.359 -0.853) 3.465 38.132 ( 0.000 3.359 -0.853) 3.465 39.265 ( 0.000 -0.293 -0.802) 0.853 39.265 ( 0.000 0.293 -0.802) 0.853 39.320 ( 0.000 -0.523 0.958) 1.091 39.320 ( 0.000 0.523 0.958) 1.091 ======================= Grid point 93 (38/60) ======================= q-point: ( 0.17 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( 1.296 -2.565 0.013) 2.874 1.013 ( 1.296 2.565 0.013) 2.874 1.067 ( 0.729 -1.549 0.625) 1.822 1.067 ( 0.729 1.549 0.625) 1.822 1.136 ( 3.814 -6.474 1.415) 7.646 1.136 ( 3.814 6.474 1.415) 7.646 1.219 ( 0.945 -1.935 0.227) 2.166 1.219 ( 0.945 1.935 0.227) 2.166 1.288 ( 1.772 -3.102 -0.717) 3.643 1.288 ( 1.772 3.102 -0.717) 3.643 1.347 ( -0.794 -2.959 -1.786) 3.546 1.347 ( -0.794 2.959 -1.786) 3.546 1.424 ( 2.329 -0.627 2.882) 3.758 1.424 ( 2.329 0.627 2.882) 3.758 1.464 ( 3.195 -2.342 -0.596) 4.005 1.464 ( 3.195 2.342 -0.596) 4.005 1.620 ( 1.768 -3.715 -3.100) 5.152 1.620 ( 1.768 3.715 -3.100) 5.152 1.696 ( 0.523 -4.163 0.898) 4.291 1.696 ( 0.523 4.163 0.898) 4.291 1.816 ( -0.014 -2.443 -0.156) 2.448 1.816 ( -0.014 2.443 -0.156) 2.448 1.896 ( -0.596 -2.800 0.651) 2.936 1.896 ( -0.596 2.800 0.651) 2.936 4.033 ( 2.607 -1.055 -3.802) 4.729 4.033 ( 2.607 1.055 -3.802) 4.729 4.294 ( -1.972 -0.153 0.387) 2.015 4.294 ( -1.972 0.153 0.387) 2.015 4.318 ( -1.322 -0.222 2.741) 3.051 4.318 ( -1.322 0.222 2.741) 3.051 4.395 ( -3.825 -2.826 -0.180) 4.759 4.395 ( -3.825 2.826 -0.180) 4.759 4.671 ( -0.237 -0.643 -0.035) 0.686 4.671 ( -0.237 0.643 -0.035) 0.686 4.678 ( 0.491 -1.426 -0.106) 1.512 4.678 ( 0.491 1.426 -0.106) 1.512 7.696 ( 10.411 -4.891 -1.274) 11.573 7.696 ( 10.411 4.891 -1.274) 11.573 8.008 ( 8.364 -9.574 0.122) 12.713 8.008 ( 8.364 9.574 0.122) 12.713 8.801 ( 1.205 -1.850 -5.831) 6.235 8.801 ( 1.205 1.850 -5.831) 6.235 9.179 ( -1.982 -5.168 5.999) 8.162 9.179 ( -1.982 5.168 5.999) 8.162 9.732 ( 3.062 -1.943 -3.928) 5.346 9.732 ( 3.062 1.943 -3.928) 5.346 10.288 ( -5.995 -7.914 1.098) 9.989 10.288 ( -5.995 7.914 1.098) 9.989 15.414 ( 3.944 -2.900 -1.161) 5.031 15.414 ( 3.944 2.900 -1.161) 5.031 15.711 ( -0.542 -1.320 4.015) 4.261 15.711 ( -0.542 1.320 4.015) 4.261 16.331 ( 3.850 -2.888 -0.314) 4.823 16.331 ( 3.850 2.888 -0.314) 4.823 16.794 ( -1.457 -0.469 -1.057) 1.860 16.794 ( -1.457 0.469 -1.057) 1.860 17.047 ( 2.395 -3.814 3.508) 5.709 17.047 ( 2.395 3.814 3.508) 5.709 17.431 ( -0.643 -5.910 -0.549) 5.970 17.431 ( -0.643 5.910 -0.549) 5.970 18.437 ( -15.671 -6.918 1.254) 17.176 18.437 ( -15.671 6.918 1.254) 17.176 18.649 ( -20.143 -6.299 -3.252) 21.354 18.649 ( -20.143 6.299 -3.252) 21.354 19.768 ( 19.807 -6.896 1.986) 21.067 19.768 ( 19.807 6.896 1.986) 21.067 19.945 ( 18.707 -17.720 -1.589) 25.817 19.945 ( 18.707 17.720 -1.589) 25.817 35.826 ( 0.502 -3.259 -0.172) 3.302 35.826 ( 0.502 3.259 -0.172) 3.302 35.856 ( 0.218 -1.023 -0.228) 1.071 35.856 ( 0.218 1.023 -0.228) 1.071 36.207 ( 1.861 -1.303 1.105) 2.527 36.207 ( 1.861 1.303 1.105) 2.527 36.291 ( 0.279 -0.341 -0.421) 0.610 36.291 ( 0.279 0.341 -0.421) 0.610 37.215 ( 4.669 -0.471 -0.002) 4.692 37.215 ( 4.669 0.471 -0.002) 4.692 38.047 ( -8.306 -3.150 -0.752) 8.915 38.047 ( -8.306 3.150 -0.752) 8.915 39.286 ( 2.015 -0.212 -0.675) 2.136 39.286 ( 2.015 0.212 -0.675) 2.136 39.334 ( 1.253 -0.395 0.843) 1.561 39.334 ( 1.253 0.395 0.843) 1.561 ======================= Grid point 95 (39/60) ======================= q-point: ( 0.33 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( 1.855 -1.675 0.182) 2.506 1.046 ( 1.855 1.675 0.182) 2.506 1.080 ( 0.374 -1.250 0.881) 1.574 1.080 ( 0.374 1.250 0.881) 1.574 1.208 ( 2.763 -4.994 0.418) 5.723 1.208 ( 2.763 4.994 0.418) 5.723 1.234 ( 0.623 -2.308 0.215) 2.400 1.234 ( 0.623 2.308 0.215) 2.400 1.309 ( 0.351 -2.976 -1.869) 3.532 1.309 ( 0.351 2.976 -1.869) 3.532 1.332 ( -0.661 -2.973 -1.796) 3.536 1.332 ( -0.661 2.973 -1.796) 3.536 1.482 ( 3.004 -2.238 2.804) 4.679 1.482 ( 3.004 2.238 2.804) 4.679 1.526 ( 2.120 -0.744 -0.191) 2.255 1.526 ( 2.120 0.744 -0.191) 2.255 1.656 ( 1.841 -1.241 1.000) 2.435 1.656 ( 1.841 1.241 1.000) 2.435 1.710 ( 0.443 -4.136 0.691) 4.216 1.710 ( 0.443 4.136 0.691) 4.216 1.826 ( 1.482 -3.241 -2.034) 4.104 1.826 ( 1.482 3.241 -2.034) 4.104 1.887 ( -0.372 -1.620 -0.377) 1.705 1.887 ( -0.372 1.620 -0.377) 1.705 4.101 ( 4.065 -0.850 -2.648) 4.925 4.101 ( 4.065 0.850 -2.648) 4.925 4.248 ( -2.711 -0.289 -0.586) 2.788 4.248 ( -2.711 0.289 -0.586) 2.788 4.286 ( -1.480 -1.041 2.289) 2.918 4.286 ( -1.480 1.041 2.289) 2.918 4.319 ( -3.415 -1.781 0.424) 3.875 4.319 ( -3.415 1.781 0.424) 3.875 4.665 ( -0.268 -1.018 -0.092) 1.057 4.665 ( -0.268 1.018 -0.092) 1.057 4.677 ( -0.556 -1.880 -0.038) 1.961 4.677 ( -0.556 1.880 -0.038) 1.961 7.946 ( 13.507 -7.234 -2.103) 15.465 7.946 ( 13.507 7.234 -2.103) 15.465 8.169 ( 5.612 -11.751 -2.357) 13.234 8.169 ( 5.612 11.751 -2.357) 13.234 8.849 ( 4.179 -2.067 -2.531) 5.305 8.849 ( 4.179 2.067 -2.531) 5.305 9.107 ( -5.515 -5.177 4.794) 8.955 9.107 ( -5.515 5.177 4.794) 8.955 9.824 ( 6.186 -5.524 -1.541) 8.435 9.824 ( 6.186 5.524 -1.541) 8.435 10.139 ( -8.573 -8.926 -0.059) 12.376 10.139 ( -8.573 8.926 -0.059) 12.376 15.513 ( 5.704 -2.698 -0.049) 6.310 15.513 ( 5.704 2.698 -0.049) 6.310 15.686 ( -2.235 -1.828 2.387) 3.746 15.686 ( -2.235 1.828 2.387) 3.746 16.437 ( 6.726 -2.753 0.857) 7.318 16.437 ( 6.726 2.753 0.857) 7.318 16.723 ( -5.756 -2.172 0.793) 6.203 16.723 ( -5.756 2.172 0.793) 6.203 17.138 ( 6.631 -6.891 1.705) 9.714 17.138 ( 6.631 6.892 1.705) 9.714 17.395 ( -3.509 -3.414 0.124) 4.898 17.395 ( -3.509 3.414 0.124) 4.898 18.173 ( -9.447 -12.506 -0.483) 15.681 18.173 ( -9.447 12.506 -0.483) 15.681 18.288 ( -14.809 -13.392 -3.372) 20.250 18.288 ( -14.809 13.392 -3.372) 20.250 20.139 ( 15.746 -4.964 1.751) 16.603 20.139 ( 15.746 4.964 1.751) 16.603 20.254 ( 10.816 -15.687 -0.978) 19.080 20.254 ( 10.816 15.687 -0.978) 19.080 35.839 ( 0.723 -2.674 -0.127) 2.773 35.839 ( 0.723 2.674 -0.127) 2.773 35.858 ( -0.070 -1.341 -0.125) 1.349 35.858 ( -0.070 1.341 -0.125) 1.349 36.248 ( 2.066 -1.572 0.660) 2.679 36.248 ( 2.066 1.572 0.660) 2.679 36.293 ( -0.168 -0.785 -0.212) 0.830 36.293 ( -0.168 0.785 -0.212) 0.830 37.353 ( 9.368 -1.230 -0.146) 9.449 37.353 ( 9.368 1.230 -0.146) 9.449 37.832 ( -12.819 -2.707 -0.527) 13.113 37.832 ( -12.819 2.707 -0.527) 13.113 39.332 ( 2.317 -0.095 -0.343) 2.344 39.332 ( 2.317 0.095 -0.343) 2.344 39.360 ( 1.047 -0.193 0.525) 1.187 39.360 ( 1.047 0.193 0.525) 1.187 ======================= Grid point 97 (40/60) ======================= q-point: (-0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( -0.626 -1.971 0.593) 2.151 1.075 ( 0.346 -1.954 0.593) 2.071 1.075 ( -0.346 1.954 0.593) 2.071 1.075 ( 0.626 1.971 0.593) 2.151 1.238 ( -0.420 -4.327 -0.336) 4.360 1.238 ( 0.398 -4.326 -0.336) 4.357 1.238 ( -0.398 4.326 -0.336) 4.357 1.238 ( 0.420 4.327 -0.336) 4.360 1.318 ( -0.681 -2.870 -1.566) 3.340 1.318 ( 0.657 -2.869 -1.566) 3.334 1.318 ( -0.657 2.869 -1.566) 3.334 1.318 ( 0.681 2.870 -1.566) 3.340 1.529 ( -1.491 -1.944 1.935) 3.122 1.529 ( 1.470 -1.940 1.935) 3.110 1.529 ( -1.470 1.940 1.935) 3.110 1.529 ( 1.491 1.944 1.935) 3.122 1.695 ( -1.702 -2.471 0.826) 3.111 1.695 ( 1.430 -2.427 0.826) 2.936 1.695 ( -1.430 2.427 0.826) 2.936 1.695 ( 1.702 2.471 0.826) 3.111 1.868 ( -1.886 -1.822 -1.601) 3.073 1.868 ( 1.698 -1.775 -1.601) 2.932 1.868 ( -1.698 1.775 -1.601) 2.932 1.868 ( 1.886 1.822 -1.601) 3.073 4.183 ( -3.852 -0.448 -1.712) 4.239 4.183 ( -3.758 0.143 -1.712) 4.132 4.183 ( 3.758 -0.143 -1.712) 4.132 4.183 ( 3.852 0.448 -1.712) 4.239 4.276 ( -0.763 -1.166 1.522) 2.063 4.276 ( 0.735 -1.162 1.522) 2.051 4.276 ( -0.735 1.162 1.522) 2.051 4.276 ( 0.763 1.166 1.522) 2.063 4.666 ( -0.348 -1.755 -0.067) 1.790 4.666 ( 0.330 -1.754 -0.067) 1.786 4.666 ( -0.330 1.754 -0.067) 1.786 4.666 ( 0.348 1.755 -0.067) 1.790 8.160 ( -6.564 -10.778 -3.352) 13.057 8.160 ( 6.239 -10.730 -3.352) 12.857 8.160 ( -6.239 10.730 -3.352) 12.857 8.160 ( 6.564 10.778 -3.352) 13.057 8.971 ( -6.714 -5.024 1.991) 8.619 8.971 ( -0.191 -3.739 1.991) 4.241 8.971 ( 0.191 3.739 1.991) 4.241 8.971 ( 6.714 5.024 1.991) 8.619 9.969 ( -6.996 -11.627 -0.551) 13.580 9.969 ( 3.836 -11.252 -0.551) 11.901 9.969 ( -3.836 11.252 -0.551) 11.901 9.969 ( 6.996 11.627 -0.551) 13.580 15.619 ( -4.583 -2.424 1.091) 5.298 15.619 ( 0.510 -0.829 1.091) 1.462 15.619 ( -0.510 0.829 1.091) 1.462 15.619 ( 4.583 2.424 1.091) 5.298 16.584 ( -7.724 -2.217 1.435) 8.164 16.584 ( -7.105 1.618 1.435) 7.427 16.584 ( 7.105 -1.618 1.435) 7.427 16.584 ( 7.724 2.217 1.435) 8.164 17.284 ( -7.305 -6.840 0.904) 10.048 17.284 ( 6.304 -6.586 0.904) 9.162 17.284 ( -6.304 6.586 0.904) 9.162 17.284 ( 7.305 6.840 0.904) 10.048 18.107 ( -3.015 -17.897 -2.546) 18.327 18.107 ( 2.981 -17.895 -2.546) 18.320 18.107 ( -2.981 17.895 -2.546) 18.320 18.107 ( 3.015 17.897 -2.546) 18.327 20.332 ( -3.118 -11.329 0.469) 11.760 20.332 ( 3.088 -11.327 0.469) 11.750 20.332 ( -3.088 11.327 0.469) 11.750 20.332 ( 3.118 11.329 0.469) 11.760 35.852 ( -0.405 -2.817 -0.091) 2.848 35.852 ( 0.351 -2.816 -0.091) 2.839 35.852 ( -0.351 2.816 -0.091) 2.839 35.852 ( 0.405 2.817 -0.091) 2.848 36.280 ( -1.143 -1.296 0.161) 1.736 36.280 ( 1.081 -1.283 0.161) 1.685 36.280 ( -1.081 1.283 0.161) 1.685 36.280 ( 1.143 1.296 0.161) 1.736 37.574 ( -12.688 -2.108 -0.308) 12.865 37.574 ( -12.623 2.009 -0.308) 12.786 37.574 ( 12.623 -2.009 -0.308) 12.786 37.574 ( 12.688 2.108 -0.308) 12.865 39.364 ( -0.249 -1.378 0.093) 1.403 39.364 ( -0.104 -1.373 0.093) 1.380 39.364 ( 0.104 1.373 0.093) 1.380 39.364 ( 0.249 1.378 0.093) 1.403 ======================= Grid point 126 (41/60) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( 0.000 0.000 -13.042) 13.042 0.621 ( 0.000 0.000 13.042) 13.042 0.647 ( 0.000 0.000 -11.102) 11.102 0.647 ( 0.000 0.000 11.102) 11.102 0.981 ( 0.000 0.000 -8.907) 8.907 0.981 ( 0.000 0.000 8.907) 8.907 1.188 ( 0.000 0.000 -7.601) 7.601 1.188 ( 0.000 0.000 7.601) 7.601 1.245 ( 0.000 0.000 -2.031) 2.031 1.245 ( 0.000 0.000 2.031) 2.031 1.320 ( 0.000 0.000 -1.594) 1.594 1.320 ( 0.000 0.000 1.594) 1.594 1.437 ( 0.000 0.000 -2.767) 2.767 1.437 ( 0.000 0.000 2.767) 2.767 1.482 ( 0.000 0.000 -2.188) 2.188 1.482 ( 0.000 0.000 2.188) 2.188 1.516 ( 0.000 0.000 -4.669) 4.669 1.516 ( 0.000 0.000 4.669) 4.669 1.650 ( 0.000 0.000 -2.992) 2.992 1.650 ( 0.000 0.000 2.992) 2.992 1.725 ( 0.000 0.000 -2.475) 2.475 1.725 ( 0.000 0.000 2.475) 2.475 2.096 ( 0.000 0.000 -3.027) 3.027 2.096 ( 0.000 0.000 3.027) 3.027 3.648 ( 0.000 0.000 -6.353) 6.353 3.648 ( 0.000 0.000 6.353) 6.353 4.019 ( 0.000 0.000 -1.059) 1.059 4.019 ( 0.000 0.000 1.059) 1.059 4.377 ( 0.000 0.000 -2.508) 2.508 4.377 ( 0.000 0.000 2.508) 2.508 4.618 ( 0.000 0.000 -0.518) 0.518 4.618 ( 0.000 0.000 0.518) 0.518 4.731 ( 0.000 0.000 -0.975) 0.975 4.731 ( 0.000 0.000 0.975) 0.975 4.982 ( 0.000 0.000 -6.300) 6.300 4.982 ( 0.000 0.000 6.300) 6.300 6.982 ( 0.000 0.000 -21.266) 21.266 6.982 ( 0.000 0.000 21.266) 21.266 7.438 ( 0.000 0.000 -27.122) 27.122 7.438 ( 0.000 0.000 27.122) 27.122 8.382 ( 0.000 0.000 -9.791) 9.791 8.382 ( 0.000 0.000 9.791) 9.791 9.062 ( 0.000 0.000 -10.615) 10.615 9.062 ( 0.000 0.000 10.615) 10.615 9.187 ( 0.000 0.000 -10.448) 10.448 9.187 ( 0.000 0.000 10.448) 10.448 10.062 ( 0.000 0.000 -9.024) 9.024 10.062 ( 0.000 0.000 9.024) 9.024 15.829 ( 0.000 0.000 -6.378) 6.378 15.829 ( 0.000 0.000 6.378) 6.378 16.108 ( 0.000 0.000 -8.286) 8.286 16.108 ( 0.000 0.000 8.286) 8.286 16.385 ( 0.000 0.000 -2.271) 2.271 16.385 ( 0.000 0.000 2.271) 2.271 16.433 ( 0.000 0.000 -2.261) 2.261 16.433 ( 0.000 0.000 2.261) 2.261 16.939 ( 0.000 0.000 -4.066) 4.066 16.939 ( 0.000 0.000 4.066) 4.066 17.155 ( 0.000 0.000 -1.067) 1.067 17.155 ( 0.000 0.000 1.067) 1.067 17.650 ( 0.000 0.000 -13.496) 13.496 17.650 ( 0.000 0.000 13.496) 13.496 18.045 ( 0.000 0.000 -14.772) 14.772 18.045 ( 0.000 0.000 14.772) 14.772 19.470 ( 0.000 0.000 -6.342) 6.342 19.470 ( 0.000 0.000 6.342) 6.342 20.304 ( 0.000 0.000 -5.207) 5.207 20.304 ( 0.000 0.000 5.207) 5.207 35.797 ( 0.000 0.000 -3.392) 3.392 35.797 ( 0.000 0.000 3.392) 3.392 36.232 ( 0.000 0.000 -2.480) 2.480 36.232 ( 0.000 0.000 2.480) 2.480 36.400 ( 0.000 0.000 -0.626) 0.626 36.400 ( 0.000 0.000 0.626) 0.626 36.682 ( 0.000 0.000 -0.328) 0.328 36.682 ( 0.000 0.000 0.328) 0.328 36.755 ( 0.000 0.000 -0.180) 0.180 36.755 ( 0.000 0.000 0.180) 0.180 37.400 ( 0.000 0.000 -6.256) 6.256 37.400 ( 0.000 0.000 6.256) 6.256 39.328 ( 0.000 0.000 -1.146) 1.146 39.328 ( 0.000 0.000 1.146) 1.146 39.458 ( 0.000 0.000 -2.567) 2.567 39.458 ( 0.000 0.000 2.567) 2.567 ======================= Grid point 128 (42/60) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( 5.068 0.000 -11.444) 12.515 0.674 ( 5.068 0.000 11.444) 12.515 0.689 ( 4.324 0.000 -11.211) 12.016 0.689 ( 4.324 0.000 11.211) 12.016 1.072 ( 6.026 0.000 -4.045) 7.257 1.072 ( 6.026 0.000 4.045) 7.257 1.209 ( 2.908 0.000 -8.371) 8.862 1.209 ( 2.908 0.000 8.371) 8.862 1.211 ( -3.304 0.000 -2.792) 4.326 1.211 ( -3.304 0.000 2.792) 4.326 1.353 ( 3.419 0.000 -1.245) 3.638 1.353 ( 3.419 0.000 1.245) 3.638 1.442 ( 0.384 0.000 -2.445) 2.475 1.442 ( 0.384 0.000 2.445) 2.475 1.496 ( 1.422 0.000 -2.651) 3.008 1.496 ( 1.422 0.000 2.651) 3.008 1.521 ( 0.461 0.000 -3.949) 3.976 1.521 ( 0.461 0.000 3.949) 3.976 1.640 ( -0.511 0.000 -2.745) 2.792 1.640 ( -0.511 0.000 2.745) 2.792 1.724 ( -0.042 0.000 -2.115) 2.115 1.724 ( -0.042 0.000 2.115) 2.115 2.070 ( -2.624 0.000 -1.574) 3.060 2.070 ( -2.624 0.000 1.574) 3.060 3.680 ( 2.963 0.000 -5.510) 6.257 3.680 ( 2.963 0.000 5.510) 6.257 4.009 ( -1.001 0.000 -1.073) 1.468 4.009 ( -1.001 0.000 1.073) 1.468 4.359 ( -1.360 0.000 -2.505) 2.851 4.359 ( -1.360 0.000 2.505) 2.851 4.544 ( -4.755 0.000 -3.546) 5.932 4.544 ( -4.755 0.000 3.546) 5.932 4.775 ( 1.815 0.000 -1.496) 2.352 4.775 ( 1.815 0.000 1.496) 2.352 4.955 ( -2.349 0.000 -7.311) 7.679 4.955 ( -2.349 0.000 7.311) 7.679 7.016 ( 3.259 0.000 -21.301) 21.549 7.016 ( 3.259 0.000 21.301) 21.549 7.428 ( -1.064 0.000 -26.545) 26.566 7.428 ( -1.064 0.000 26.545) 26.566 8.477 ( 8.715 0.000 -9.150) 12.636 8.477 ( 8.715 0.000 9.150) 12.636 8.919 ( -6.919 0.000 -4.388) 8.193 8.919 ( -6.919 0.000 4.388) 8.193 9.436 ( 16.354 0.000 -3.129) 16.651 9.436 ( 16.354 0.000 3.129) 16.651 10.082 ( 1.806 0.000 -7.652) 7.863 10.082 ( 1.806 0.000 7.652) 7.863 15.830 ( 0.082 0.000 -5.623) 5.624 15.830 ( 0.082 0.000 5.623) 5.624 16.048 ( -5.420 0.000 -6.960) 8.821 16.048 ( -5.420 0.000 6.960) 8.821 16.372 ( -1.258 0.000 -1.966) 2.334 16.372 ( -1.258 0.000 1.966) 2.334 16.393 ( -3.169 0.000 -8.888) 9.436 16.393 ( -3.169 0.000 8.888) 9.436 16.942 ( 0.360 0.000 -3.301) 3.321 16.942 ( 0.360 0.000 3.301) 3.321 17.143 ( -1.222 0.000 -0.980) 1.567 17.143 ( -1.222 0.000 0.980) 1.567 17.296 ( -27.003 0.000 -11.898) 29.508 17.296 ( -27.003 0.000 11.898) 29.508 17.944 ( -4.147 0.000 -10.027) 10.851 17.944 ( -4.147 0.000 10.027) 10.851 19.875 ( 27.363 0.000 -4.535) 27.736 19.875 ( 27.363 0.000 4.535) 27.736 20.447 ( 12.261 0.000 -8.116) 14.704 20.447 ( 12.261 0.000 8.116) 14.704 35.810 ( 1.235 0.000 -3.211) 3.440 35.810 ( 1.235 0.000 3.211) 3.440 36.187 ( -3.653 0.000 -0.872) 3.756 36.187 ( -3.653 0.000 0.872) 3.756 36.500 ( 8.936 0.000 -2.307) 9.229 36.500 ( 8.936 0.000 2.307) 9.229 36.687 ( 0.502 0.000 -0.326) 0.598 36.687 ( 0.502 0.000 0.326) 0.598 36.751 ( -0.447 0.000 -0.212) 0.495 36.751 ( -0.447 0.000 0.212) 0.495 37.354 ( -4.945 0.000 -7.997) 9.403 37.354 ( -4.945 0.000 7.997) 9.403 39.343 ( 1.498 0.000 -1.320) 1.996 39.343 ( 1.498 0.000 1.320) 1.996 39.461 ( 0.341 0.000 -2.521) 2.544 39.461 ( 0.341 0.000 2.521) 2.544 ======================= Grid point 130 (43/60) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( 6.821 0.000 -8.179) 10.650 0.797 ( 6.821 0.000 8.179) 10.650 0.800 ( 6.223 0.000 -7.932) 10.081 0.800 ( 6.223 0.000 7.932) 10.081 1.089 ( -2.956 0.000 -2.384) 3.797 1.089 ( -2.956 0.000 2.384) 3.797 1.123 ( -5.321 0.000 -3.884) 6.587 1.123 ( -5.321 0.000 3.884) 6.587 1.333 ( 6.822 0.000 -1.218) 6.930 1.333 ( 6.822 0.000 1.218) 6.930 1.421 ( 2.081 0.000 -0.590) 2.163 1.421 ( 2.081 0.000 0.590) 2.163 1.449 ( 0.277 0.000 -1.423) 1.450 1.449 ( 0.277 0.000 1.423) 1.450 1.531 ( 0.460 0.000 -2.140) 2.189 1.531 ( 0.460 0.000 2.140) 2.189 1.535 ( 2.301 0.000 -2.580) 3.457 1.535 ( 2.301 0.000 2.580) 3.457 1.666 ( 3.633 0.000 -1.986) 4.140 1.666 ( 3.633 0.000 1.986) 4.140 1.730 ( 1.442 0.000 -1.734) 2.255 1.730 ( 1.442 0.000 1.734) 2.255 1.989 ( -5.782 0.000 -1.813) 6.059 1.989 ( -5.782 0.000 1.813) 6.059 3.745 ( 3.115 0.000 -3.306) 4.542 3.745 ( 3.115 0.000 3.306) 4.542 3.984 ( -1.294 0.000 -0.873) 1.561 3.984 ( -1.294 0.000 0.873) 1.561 4.348 ( 0.537 0.000 -2.653) 2.706 4.348 ( 0.537 0.000 2.653) 2.706 4.462 ( -3.615 0.000 -4.109) 5.473 4.462 ( -3.615 0.000 4.109) 5.473 4.780 ( -0.826 0.000 -2.717) 2.840 4.780 ( -0.826 0.000 2.717) 2.840 4.911 ( -1.749 0.000 -6.460) 6.693 4.911 ( -1.749 0.000 6.460) 6.693 7.095 ( 4.204 0.000 -18.276) 18.754 7.095 ( 4.204 0.000 18.276) 18.754 7.397 ( -1.998 0.000 -21.401) 21.494 7.397 ( -1.998 0.000 21.401) 21.494 8.667 ( 8.843 0.000 -5.974) 10.672 8.667 ( 8.843 0.000 5.974) 10.672 8.822 ( -3.060 0.000 -2.814) 4.157 8.822 ( -3.060 0.000 2.814) 4.157 9.727 ( 11.638 0.000 -2.263) 11.856 9.727 ( 11.638 0.000 2.263) 11.856 10.120 ( 1.680 0.000 -4.237) 4.558 10.120 ( 1.680 0.000 4.237) 4.558 15.833 ( 0.241 0.000 -3.398) 3.407 15.833 ( 0.241 0.000 3.398) 3.407 15.950 ( -3.329 0.000 -5.594) 6.510 15.950 ( -3.329 0.000 5.594) 6.510 16.334 ( -2.584 0.000 -12.012) 12.286 16.334 ( -2.584 0.000 12.012) 12.286 16.341 ( -1.665 0.000 -1.146) 2.021 16.341 ( -1.665 0.000 1.146) 2.021 16.868 ( -14.885 0.000 -14.396) 20.708 16.868 ( -14.885 0.000 14.396) 20.708 16.955 ( 0.895 0.000 -1.578) 1.814 16.955 ( 0.895 0.000 1.578) 1.814 17.113 ( -1.584 0.000 -0.696) 1.730 17.113 ( -1.584 0.000 0.696) 1.730 17.888 ( -1.888 0.000 -5.348) 5.672 17.888 ( -1.888 0.000 5.348) 5.672 20.329 ( 18.534 0.000 -9.816) 20.973 20.329 ( 18.534 0.000 9.816) 20.973 20.649 ( 5.484 0.000 -18.075) 18.889 20.649 ( 5.484 0.000 18.075) 18.889 35.840 ( 1.580 0.000 -2.327) 2.813 35.840 ( 1.580 0.000 2.327) 2.813 36.114 ( -3.294 0.000 -0.435) 3.323 36.114 ( -3.294 0.000 0.435) 3.323 36.701 ( 0.825 0.000 -0.312) 0.882 36.701 ( 0.825 0.000 0.312) 0.882 36.715 ( 12.253 0.000 -4.724) 13.132 36.715 ( 12.253 0.000 4.724) 13.132 36.738 ( -0.770 0.000 -0.259) 0.813 36.738 ( -0.770 0.000 0.259) 0.813 37.204 ( -10.013 0.000 -8.671) 13.246 37.204 ( -10.013 0.000 8.671) 13.246 39.379 ( 1.794 0.000 -0.994) 2.051 39.379 ( 1.794 0.000 0.994) 2.051 39.471 ( 0.542 0.000 -1.710) 1.794 39.471 ( 0.542 0.000 1.710) 1.794 ======================= Grid point 132 (44/60) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( -0.000 0.000 -0.000) 0.000 0.885 ( 0.000 0.000 0.000) 0.000 0.893 ( -0.000 0.000 -0.000) 0.000 0.893 ( 0.000 0.000 0.000) 0.000 1.035 ( 0.000 0.000 0.000) 0.000 1.035 ( 0.000 0.000 0.000) 0.000 1.043 ( 0.000 0.000 -0.000) 0.000 1.043 ( 0.000 0.000 0.000) 0.000 1.414 ( -0.000 0.000 -0.000) 0.000 1.414 ( 0.000 0.000 -0.000) 0.000 1.422 ( -0.000 0.000 0.000) 0.000 1.422 ( 0.000 0.000 0.000) 0.000 1.452 ( 0.000 0.000 -0.000) 0.000 1.452 ( 0.000 0.000 0.000) 0.000 1.536 ( 0.000 0.000 0.000) 0.000 1.536 ( 0.000 0.000 0.000) 0.000 1.563 ( 0.000 0.000 -0.000) 0.000 1.563 ( 0.000 0.000 0.000) 0.000 1.701 ( -0.000 0.000 0.000) 0.000 1.701 ( 0.000 0.000 0.000) 0.000 1.831 ( -0.000 0.000 -0.000) 0.000 1.831 ( -0.000 0.000 0.000) 0.000 1.859 ( 0.000 0.000 -0.000) 0.000 1.859 ( 0.000 0.000 0.000) 0.000 3.780 ( 0.000 0.000 0.000) 0.000 3.780 ( 0.000 0.000 0.000) 0.000 3.969 ( 0.000 0.000 -0.000) 0.000 3.969 ( 0.000 0.000 0.000) 0.000 4.368 ( 0.000 0.000 0.000) 0.000 4.368 ( 0.000 0.000 0.000) 0.000 4.413 ( -0.000 0.000 -0.000) 0.000 4.413 ( 0.000 0.000 0.000) 0.000 4.768 ( 0.000 0.000 -0.000) 0.000 4.768 ( 0.000 0.000 0.000) 0.000 4.893 ( 0.000 0.000 -0.000) 0.000 4.893 ( 0.000 0.000 0.000) 0.000 7.146 ( 0.000 0.000 -0.000) 0.000 7.146 ( 0.000 0.000 0.000) 0.000 7.370 ( 0.000 0.000 0.000) 0.000 7.370 ( 0.000 0.000 0.000) 0.000 8.763 ( 0.000 0.000 -0.000) 0.000 8.763 ( 0.000 0.000 0.000) 0.000 8.793 ( 0.000 0.000 0.000) 0.000 8.793 ( 0.000 0.000 0.000) 0.000 9.847 ( 0.000 0.000 0.000) 0.000 9.847 ( 0.000 0.000 0.000) 0.000 10.138 ( 0.000 0.000 -0.000) 0.000 10.138 ( 0.000 0.000 0.000) 0.000 15.836 ( 0.000 0.000 -0.000) 0.000 15.836 ( 0.000 0.000 0.000) 0.000 15.923 ( 0.000 0.000 0.000) 0.000 15.923 ( 0.000 0.000 0.000) 0.000 16.303 ( 0.000 0.000 0.000) 0.000 16.303 ( 0.000 0.000 0.000) 0.000 16.321 ( 0.000 0.000 -0.000) 0.000 16.321 ( 0.000 0.000 0.000) 0.000 16.722 ( 0.000 0.000 0.000) 0.000 16.722 ( 0.000 0.000 0.000) 0.000 16.967 ( 0.000 0.000 0.000) 0.000 16.967 ( 0.000 0.000 0.000) 0.000 17.094 ( 0.000 0.000 -0.000) 0.000 17.094 ( 0.000 0.000 0.000) 0.000 17.869 ( 0.000 0.000 0.000) 0.000 17.869 ( 0.000 0.000 0.000) 0.000 20.563 ( -0.000 0.000 -0.000) 0.000 20.563 ( 0.000 0.000 0.000) 0.000 20.655 ( 0.000 0.000 0.000) 0.000 20.655 ( 0.000 0.000 0.000) 0.000 35.859 ( 0.000 0.000 0.000) 0.000 35.859 ( 0.000 0.000 0.000) 0.000 36.077 ( 0.000 0.000 0.000) 0.000 36.077 ( 0.000 0.000 0.000) 0.000 36.714 ( -0.000 0.000 0.000) 0.000 36.714 ( 0.000 0.000 0.000) 0.000 36.725 ( 0.000 0.000 0.000) 0.000 36.725 ( 0.000 0.000 0.000) 0.000 36.928 ( 0.000 0.000 -0.000) 0.000 36.928 ( 0.000 0.000 0.000) 0.000 37.011 ( 0.000 0.000 -0.000) 0.000 37.011 ( 0.000 0.000 0.000) 0.000 39.399 ( 0.000 0.000 0.000) 0.000 39.399 ( 0.000 0.000 0.000) 0.000 39.477 ( 0.000 0.000 0.000) 0.000 39.477 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 140 (45/60) ======================= q-point: ( 0.00 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.675 ( 0.000 5.030 -6.264) 8.034 0.675 ( 0.000 5.030 6.264) 8.034 0.712 ( 0.000 5.933 -5.100) 7.824 0.712 ( 0.000 5.933 5.100) 7.824 1.039 ( 0.000 4.716 -5.008) 6.879 1.039 ( 0.000 4.716 5.008) 6.879 1.177 ( 0.000 0.664 -5.815) 5.853 1.177 ( 0.000 0.664 5.815) 5.853 1.280 ( 0.000 1.079 -1.250) 1.651 1.280 ( 0.000 1.079 1.250) 1.651 1.325 ( 0.000 1.525 -3.515) 3.832 1.325 ( 0.000 1.525 3.515) 3.832 1.414 ( 0.000 -1.518 -0.345) 1.557 1.414 ( 0.000 -1.518 0.345) 1.557 1.493 ( 0.000 0.623 -1.204) 1.355 1.493 ( 0.000 0.623 1.204) 1.355 1.519 ( 0.000 0.015 -2.154) 2.155 1.519 ( 0.000 0.015 2.154) 2.155 1.647 ( 0.000 -0.810 -3.298) 3.396 1.647 ( 0.000 -0.810 3.298) 3.396 1.726 ( 0.000 0.712 -2.133) 2.249 1.726 ( 0.000 0.712 2.133) 2.249 2.074 ( 0.000 -2.047 -3.119) 3.730 2.074 ( 0.000 -2.047 3.119) 3.730 3.763 ( 0.000 9.152 -2.718) 9.547 3.763 ( 0.000 9.152 2.718) 9.547 4.061 ( 0.000 4.166 -1.261) 4.353 4.061 ( 0.000 4.166 1.261) 4.353 4.369 ( 0.000 -0.734 -1.882) 2.020 4.369 ( 0.000 -0.734 1.882) 2.020 4.610 ( 0.000 -0.840 -0.171) 0.858 4.610 ( 0.000 -0.840 0.171) 0.858 4.725 ( 0.000 -0.636 -0.829) 1.045 4.725 ( 0.000 -0.636 0.829) 1.045 4.906 ( 0.000 -7.015 -4.457) 8.311 4.906 ( 0.000 -7.015 4.457) 8.311 7.109 ( 0.000 11.626 -18.257) 21.644 7.109 ( 0.000 11.626 18.257) 21.644 7.557 ( 0.000 10.938 -26.518) 28.685 7.557 ( 0.000 10.938 26.518) 28.685 8.398 ( 0.000 2.007 -10.919) 11.102 8.398 ( 0.000 2.007 10.919) 11.102 9.078 ( 0.000 0.767 -11.507) 11.532 9.078 ( 0.000 0.767 11.507) 11.532 9.247 ( 0.000 6.645 -8.352) 10.673 9.247 ( 0.000 6.645 8.352) 10.673 10.118 ( 0.000 5.238 -8.904) 10.330 10.118 ( 0.000 5.238 8.904) 10.330 15.648 ( 0.000 -12.646 -8.038) 14.985 15.648 ( 0.000 -12.646 8.038) 14.985 16.101 ( 0.000 -5.026 -5.508) 7.456 16.101 ( 0.000 -5.026 5.508) 7.456 16.412 ( 0.000 -2.921 -0.149) 2.925 16.412 ( 0.000 -2.921 0.149) 2.925 16.421 ( 0.000 7.254 -0.263) 7.259 16.421 ( 0.000 7.254 0.263) 7.259 16.986 ( 0.000 4.163 -4.181) 5.900 16.986 ( 0.000 4.163 4.181) 5.900 17.188 ( 0.000 3.476 -2.227) 4.128 17.188 ( 0.000 3.476 2.227) 4.128 17.902 ( 0.000 20.300 -15.371) 25.463 17.902 ( 0.000 20.300 15.371) 25.463 18.128 ( 0.000 9.625 -15.318) 18.091 18.128 ( 0.000 9.625 15.318) 18.091 19.444 ( 0.000 -3.058 -4.708) 5.614 19.444 ( 0.000 -3.058 4.708) 5.614 20.240 ( 0.000 -5.883 -2.974) 6.592 20.240 ( 0.000 -5.883 2.974) 6.592 35.790 ( 0.000 -0.614 -3.119) 3.179 35.790 ( 0.000 -0.614 3.119) 3.179 36.212 ( 0.000 -2.560 -2.768) 3.771 36.212 ( 0.000 -2.560 2.768) 3.771 36.340 ( 0.000 -5.639 -0.520) 5.663 36.340 ( 0.000 -5.639 0.520) 5.663 36.478 ( 0.000 -12.673 -1.110) 12.721 36.478 ( 0.000 -12.673 1.110) 12.721 36.841 ( 0.000 7.615 -0.444) 7.628 36.841 ( 0.000 7.615 0.444) 7.628 37.642 ( 0.000 17.141 -8.784) 19.260 37.642 ( 0.000 17.141 8.784) 19.260 39.323 ( 0.000 -0.481 -0.788) 0.923 39.323 ( 0.000 -0.481 0.788) 0.923 39.424 ( 0.000 -3.110 -2.721) 4.132 39.424 ( 0.000 -3.110 2.721) 4.132 ======================= Grid point 142 (46/60) ======================= q-point: ( 0.17 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.717 ( 4.293 4.693 -6.886) 9.374 0.717 ( 4.293 4.693 6.886) 9.374 0.768 ( 4.815 6.385 -7.332) 10.850 0.768 ( 4.815 6.385 7.332) 10.850 1.095 ( 3.465 1.696 -2.069) 4.378 1.095 ( 3.465 1.696 2.069) 4.378 1.185 ( -0.078 0.497 -3.942) 3.974 1.185 ( -0.078 0.497 3.942) 3.974 1.280 ( 0.990 3.730 -4.187) 5.694 1.280 ( 0.990 3.730 4.187) 5.694 1.351 ( 2.884 -0.058 -1.644) 3.320 1.351 ( 2.884 -0.058 1.644) 3.320 1.427 ( 1.236 -0.822 -1.455) 2.078 1.427 ( 1.236 -0.822 1.455) 2.078 1.501 ( 1.025 0.549 -2.213) 2.500 1.501 ( 1.025 0.549 2.213) 2.500 1.527 ( 0.858 0.210 -3.225) 3.344 1.527 ( 0.858 0.210 3.225) 3.344 1.647 ( 0.122 0.206 -3.178) 3.187 1.647 ( 0.122 0.206 3.178) 3.187 1.719 ( -0.433 0.042 -1.567) 1.626 1.719 ( -0.433 0.042 1.567) 1.626 2.053 ( -2.245 -1.732 -1.825) 3.372 2.053 ( -2.245 -1.732 1.825) 3.372 3.784 ( 1.991 8.611 -2.604) 9.214 3.784 ( 1.991 8.611 2.604) 9.214 4.051 ( -0.995 4.072 -1.198) 4.360 4.051 ( -0.995 4.072 1.198) 4.360 4.349 ( -1.531 -0.868 -1.910) 2.598 4.349 ( -1.531 -0.868 1.910) 2.598 4.537 ( -4.940 -0.761 -3.378) 6.033 4.537 ( -4.940 -0.761 3.378) 6.033 4.757 ( 1.133 -1.792 -1.566) 2.636 4.757 ( 1.133 -1.792 1.566) 2.636 4.895 ( -0.925 -5.404 -6.143) 8.234 4.895 ( -0.925 -5.404 6.143) 8.234 7.148 ( 3.729 12.279 -18.585) 22.585 7.148 ( 3.729 12.279 18.585) 22.585 7.550 ( -0.808 11.284 -25.788) 28.161 7.550 ( -0.808 11.284 25.788) 28.161 8.496 ( 9.056 2.239 -9.429) 13.264 8.496 ( 9.056 2.239 9.429) 13.264 8.966 ( -6.282 4.342 -6.068) 9.754 8.966 ( -6.282 4.342 6.068) 9.754 9.437 ( 13.458 0.749 -3.539) 13.935 9.437 ( 13.458 0.749 3.539) 13.935 10.134 ( 1.513 4.758 -7.749) 9.219 10.134 ( 1.513 4.758 7.749) 9.219 15.655 ( 0.959 -11.190 -7.535) 13.524 15.655 ( 0.959 -11.190 7.535) 13.524 16.079 ( -1.944 -4.530 -3.686) 6.155 16.079 ( -1.944 -4.530 3.686) 6.155 16.314 ( -5.360 3.499 -1.417) 6.556 16.314 ( -5.360 3.499 1.417) 6.556 16.507 ( 4.093 4.776 -1.670) 6.508 16.507 ( 4.093 4.776 1.670) 6.508 16.977 ( -1.682 1.680 -3.696) 4.394 16.977 ( -1.682 1.680 3.696) 4.394 17.083 ( -8.758 2.225 -6.584) 11.180 17.083 ( -8.758 2.225 6.584) 11.180 17.595 ( -24.692 21.812 -5.664) 33.429 17.595 ( -24.692 21.812 5.664) 33.429 18.055 ( -0.625 10.471 -5.871) 12.020 18.055 ( -0.625 10.471 5.871) 12.020 19.835 ( 26.718 -3.976 -3.540) 27.244 19.835 ( 26.718 -3.976 3.540) 27.244 20.370 ( 11.467 -6.982 -8.668) 15.980 20.370 ( 11.467 -6.982 8.668) 15.980 35.801 ( 1.120 -0.730 -2.946) 3.235 35.801 ( 1.120 -0.730 2.946) 3.235 36.161 ( -3.734 -2.932 -1.035) 4.859 36.161 ( -3.734 -2.932 1.035) 4.859 36.412 ( 5.564 -6.796 -1.526) 8.915 36.412 ( 5.564 -6.796 1.526) 8.915 36.505 ( 2.293 -11.833 -0.407) 12.060 36.505 ( 2.293 -11.833 0.407) 12.060 36.865 ( 2.689 9.049 -0.710) 9.467 36.865 ( 2.689 9.049 0.710) 9.467 37.571 ( -6.969 15.782 -8.526) 19.244 37.571 ( -6.969 15.782 8.526) 19.244 39.337 ( 1.339 -0.614 -0.978) 1.768 39.337 ( 1.339 -0.614 0.978) 1.768 39.433 ( 0.895 -2.561 -2.451) 3.656 39.433 ( 0.895 -2.561 2.451) 3.656 ======================= Grid point 144 (47/60) ======================= q-point: ( 0.33 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( 6.281 3.762 -4.053) 8.368 0.828 ( 6.281 3.762 4.053) 8.368 0.874 ( 5.370 5.826 -5.453) 9.618 0.874 ( 5.370 5.826 5.453) 9.618 1.100 ( -2.434 0.833 -1.503) 2.980 1.100 ( -2.434 0.833 1.503) 2.980 1.138 ( -4.171 1.593 -3.124) 5.449 1.138 ( -4.171 1.593 3.124) 5.449 1.351 ( 3.367 0.015 -0.675) 3.434 1.351 ( 3.367 0.015 0.675) 3.434 1.402 ( 2.206 0.301 -1.453) 2.658 1.402 ( 2.206 0.301 1.453) 2.658 1.470 ( 2.681 1.433 -1.849) 3.558 1.470 ( 2.681 1.433 1.849) 3.558 1.530 ( 1.353 0.030 -1.893) 2.327 1.530 ( 1.353 0.030 1.893) 2.327 1.547 ( 0.879 0.772 -2.214) 2.504 1.547 ( 0.879 0.772 2.214) 2.504 1.676 ( 2.627 0.805 -1.291) 3.035 1.676 ( 2.627 0.805 1.291) 3.035 1.725 ( 2.368 -0.259 -2.746) 3.635 1.725 ( 2.368 -0.259 2.746) 3.635 1.981 ( -5.185 -0.832 -1.336) 5.419 1.981 ( -5.185 -0.832 1.336) 5.419 3.830 ( 2.299 7.561 -1.850) 8.116 3.830 ( 2.299 7.561 1.850) 8.116 4.027 ( -1.177 4.050 -0.920) 4.316 4.027 ( -1.177 4.050 0.920) 4.316 4.333 ( 0.275 -1.355 -2.273) 2.660 4.333 ( 0.275 -1.355 2.273) 2.660 4.449 ( -3.924 -1.332 -4.004) 5.763 4.449 ( -3.924 -1.332 4.004) 5.763 4.756 ( -0.688 -2.239 -2.286) 3.273 4.756 ( -0.688 -2.239 2.286) 3.273 4.873 ( -1.181 -3.577 -5.477) 6.647 4.873 ( -1.181 -3.577 5.477) 6.647 7.238 ( 4.681 13.515 -16.539) 21.866 7.238 ( 4.681 13.515 16.539) 21.866 7.524 ( -1.697 12.097 -20.711) 24.045 7.524 ( -1.697 12.097 20.711) 24.045 8.692 ( 9.055 2.199 -4.843) 10.502 8.692 ( 9.055 2.199 4.843) 10.502 8.873 ( -3.131 5.429 -4.176) 7.531 8.873 ( -3.131 5.429 4.176) 7.531 9.685 ( 10.337 -3.577 -2.768) 11.283 9.685 ( 10.337 -3.577 2.768) 11.283 10.164 ( 1.110 3.648 -4.731) 6.077 10.164 ( 1.110 3.648 4.731) 6.077 15.695 ( 3.036 -7.325 -5.362) 9.572 15.695 ( 3.036 -7.325 5.362) 9.572 16.044 ( -1.198 -5.617 -0.229) 5.748 16.044 ( -1.198 -5.617 0.229) 5.748 16.202 ( -5.977 7.332 -4.334) 10.405 16.202 ( -5.977 7.332 4.334) 10.405 16.575 ( 2.799 10.334 -3.747) 11.343 16.575 ( 2.799 10.334 3.747) 11.343 16.843 ( -8.440 -1.976 -9.169) 12.618 16.843 ( -8.440 -1.976 9.169) 12.618 17.001 ( -0.853 3.006 -2.638) 4.089 17.001 ( -0.853 3.006 2.638) 4.089 17.216 ( -12.736 13.748 -3.308) 19.031 17.216 ( -12.736 13.748 3.308) 19.031 18.057 ( 0.184 14.215 -3.324) 14.599 18.057 ( 0.184 14.215 3.324) 14.599 20.273 ( 17.211 -5.522 -11.108) 21.215 20.273 ( 17.211 -5.522 11.108) 21.216 20.576 ( 6.864 -6.445 -18.458) 20.721 20.576 ( 6.864 -6.445 18.458) 20.721 35.828 ( 1.394 -1.033 -2.109) 2.731 35.828 ( 1.394 -1.033 2.109) 2.731 36.092 ( -2.958 -2.358 -0.694) 3.846 36.092 ( -2.958 -2.358 0.694) 3.846 36.508 ( 3.375 -10.103 -2.028) 10.843 36.508 ( 3.375 -10.103 2.028) 10.843 36.551 ( 2.023 -10.305 -1.023) 10.551 36.551 ( 2.023 -10.305 1.023) 10.551 36.962 ( 7.474 11.829 -2.363) 14.190 36.962 ( 7.474 11.829 2.363) 14.190 37.387 ( -11.049 13.621 -7.353) 19.018 37.387 ( -11.049 13.621 7.353) 19.018 39.368 ( 1.448 -1.112 -0.720) 1.962 39.368 ( 1.448 -1.112 0.720) 1.962 39.455 ( 1.117 -1.504 -1.430) 2.357 39.455 ( 1.117 -1.504 1.430) 2.357 ======================= Grid point 146 (48/60) ======================= q-point: (-0.50 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( 0.000 3.447 -0.000) 3.447 0.921 ( 0.000 3.447 0.000) 3.447 0.937 ( 0.000 4.036 -0.000) 4.036 0.937 ( 0.000 4.036 0.000) 4.036 1.063 ( 0.000 2.887 -0.000) 2.887 1.063 ( 0.000 2.887 0.000) 2.887 1.065 ( -0.000 1.845 -0.000) 1.845 1.065 ( -0.000 1.845 0.000) 1.845 1.373 ( 0.000 -3.488 -0.000) 3.488 1.373 ( 0.000 -3.488 0.000) 3.488 1.431 ( 0.000 1.881 -0.000) 1.881 1.431 ( 0.000 1.881 0.000) 1.881 1.503 ( 0.000 3.607 -0.000) 3.607 1.503 ( 0.000 3.607 0.000) 3.607 1.534 ( 0.000 -0.454 -0.000) 0.454 1.534 ( 0.000 -0.454 0.000) 0.454 1.563 ( 0.000 -0.095 0.000) 0.095 1.563 ( 0.000 -0.095 0.000) 0.095 1.692 ( -0.000 -0.792 0.000) 0.792 1.692 ( 0.000 -0.792 0.000) 0.792 1.841 ( 0.000 0.948 -0.000) 0.948 1.841 ( 0.000 0.948 0.000) 0.948 1.858 ( -0.000 -0.109 0.000) 0.109 1.858 ( -0.000 -0.109 0.000) 0.109 3.856 ( -0.000 7.042 -0.000) 7.042 3.856 ( 0.000 7.042 0.000) 7.042 4.013 ( -0.000 4.129 -0.000) 4.129 4.013 ( -0.000 4.129 0.000) 4.129 4.350 ( -0.000 -1.721 -0.000) 1.721 4.350 ( 0.000 -1.721 0.000) 1.721 4.397 ( 0.000 -1.590 -0.000) 1.590 4.397 ( 0.000 -1.590 0.000) 1.590 4.747 ( -0.000 -1.941 0.000) 1.941 4.747 ( 0.000 -1.941 0.000) 1.941 4.859 ( 0.000 -3.226 -0.000) 3.226 4.859 ( 0.000 -3.226 0.000) 3.226 7.294 ( -0.000 14.218 -0.000) 14.218 7.294 ( -0.000 14.218 0.000) 14.218 7.500 ( 0.000 12.433 -0.000) 12.433 7.500 ( 0.000 12.433 0.000) 12.433 8.792 ( 0.000 0.231 0.000) 0.231 8.792 ( 0.000 0.231 0.000) 0.231 8.840 ( 0.000 7.436 -0.000) 7.436 8.840 ( 0.000 7.436 0.000) 7.436 9.795 ( 0.000 -4.807 -0.000) 4.807 9.795 ( 0.000 -4.807 0.000) 4.807 10.173 ( 0.000 2.903 -0.000) 2.903 10.173 ( 0.000 2.903 0.000) 2.903 15.740 ( 0.000 -4.361 0.000) 4.361 15.740 ( 0.000 -4.361 0.000) 4.361 16.034 ( -0.000 -12.851 -0.000) 12.851 16.034 ( 0.000 -12.851 0.000) 12.851 16.124 ( 0.000 14.237 -0.000) 14.237 16.124 ( 0.000 14.237 0.000) 14.237 16.606 ( -0.000 12.917 -0.000) 12.917 16.606 ( -0.000 12.917 0.000) 12.917 16.756 ( 0.000 3.706 -0.000) 3.706 16.756 ( 0.000 3.706 0.000) 3.706 16.991 ( 0.000 -5.913 -0.000) 5.913 16.991 ( 0.000 -5.913 0.000) 5.913 17.092 ( -0.000 12.038 -0.000) 12.038 17.092 ( -0.000 12.038 0.000) 12.038 18.059 ( 0.000 15.420 -0.000) 15.420 18.059 ( 0.000 15.420 0.000) 15.420 20.469 ( 0.000 -8.651 0.000) 8.651 20.469 ( 0.000 -8.651 0.000) 8.651 20.622 ( 0.000 -3.155 0.000) 3.155 20.622 ( 0.000 -3.155 0.000) 3.155 35.845 ( 0.000 -1.265 -0.000) 1.265 35.845 ( 0.000 -1.265 0.000) 1.265 36.060 ( 0.000 -1.888 0.000) 1.888 36.060 ( 0.000 -1.888 0.000) 1.888 36.539 ( 0.000 -10.806 -0.000) 10.806 36.539 ( 0.000 -10.806 0.000) 10.806 36.573 ( 0.000 -10.028 -0.000) 10.028 36.573 ( 0.000 -10.028 0.000) 10.028 37.125 ( 0.000 12.970 -0.000) 12.970 37.125 ( 0.000 12.970 0.000) 12.970 37.189 ( 0.000 12.399 -0.000) 12.399 37.189 ( -0.000 12.399 0.000) 12.399 39.383 ( 0.000 -1.439 0.000) 1.439 39.383 ( 0.000 -1.439 0.000) 1.439 39.467 ( 0.000 -0.980 0.000) 0.980 39.467 ( 0.000 -0.980 0.000) 0.980 ======================= Grid point 154 (49/60) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( 0.000 7.235 -4.418) 8.478 0.800 ( 0.000 7.235 4.418) 8.478 0.851 ( 0.000 7.955 -4.695) 9.237 0.851 ( 0.000 7.955 4.695) 9.237 1.090 ( 0.000 0.407 -0.320) 0.518 1.090 ( 0.000 0.407 0.320) 0.518 1.224 ( 0.000 2.579 -0.882) 2.726 1.224 ( 0.000 2.579 0.882) 2.726 1.273 ( 0.000 -1.065 -0.188) 1.081 1.273 ( 0.000 -1.065 0.188) 1.081 1.379 ( 0.000 2.693 -3.546) 4.453 1.379 ( 0.000 2.693 3.546) 4.453 1.394 ( 0.000 -0.265 -1.628) 1.649 1.394 ( 0.000 -0.265 1.628) 1.649 1.504 ( 0.000 -1.643 -0.299) 1.670 1.504 ( 0.000 -1.643 0.299) 1.670 1.524 ( 0.000 3.091 -4.717) 5.639 1.524 ( 0.000 3.091 4.717) 5.639 1.611 ( 0.000 -2.081 -4.788) 5.221 1.611 ( 0.000 -2.081 4.788) 5.221 1.759 ( 0.000 2.201 -1.340) 2.577 1.759 ( 0.000 2.201 1.340) 2.577 2.022 ( 0.000 -3.145 -3.310) 4.566 2.022 ( 0.000 -3.145 3.310) 4.566 3.906 ( 0.000 4.575 -0.970) 4.676 3.906 ( 0.000 4.575 0.970) 4.676 4.167 ( 0.000 6.127 -1.400) 6.285 4.167 ( 0.000 6.127 1.400) 6.285 4.355 ( 0.000 -0.541 -0.663) 0.855 4.355 ( 0.000 -0.541 0.663) 0.855 4.581 ( 0.000 -2.424 -1.191) 2.701 4.581 ( 0.000 -2.424 1.191) 2.701 4.708 ( 0.000 -1.108 -0.625) 1.272 4.708 ( 0.000 -1.108 0.625) 1.272 4.758 ( 0.000 -6.771 -1.521) 6.940 4.758 ( 0.000 -6.771 1.521) 6.940 7.354 ( 0.000 11.631 -11.011) 16.017 7.354 ( 0.000 11.631 11.011) 16.017 7.784 ( 0.000 10.100 -21.489) 23.744 7.784 ( 0.000 10.100 21.489) 23.744 8.483 ( 0.000 7.020 -8.171) 10.773 8.483 ( 0.000 7.020 8.171) 10.773 9.106 ( 0.000 3.054 -8.765) 9.282 9.106 ( 0.000 3.054 8.765) 9.282 9.415 ( 0.000 9.228 -5.632) 10.811 9.415 ( 0.000 9.228 5.632) 10.811 10.238 ( 0.000 6.358 -8.250) 10.416 10.238 ( 0.000 6.358 8.250) 10.416 15.452 ( 0.000 -6.834 -6.333) 9.317 15.452 ( 0.000 -6.834 6.333) 9.317 15.960 ( 0.000 -7.833 -2.447) 8.206 15.960 ( 0.000 -7.833 2.447) 8.206 16.345 ( 0.000 -3.154 -3.205) 4.497 16.345 ( 0.000 -3.154 3.205) 4.497 16.612 ( 0.000 10.043 -0.714) 10.068 16.612 ( 0.000 10.043 0.714) 10.068 17.043 ( 0.000 1.296 -2.413) 2.739 17.043 ( 0.000 1.296 2.413) 2.739 17.279 ( 0.000 5.299 -5.709) 7.789 17.279 ( 0.000 5.299 5.709) 7.789 18.234 ( 0.000 13.890 -10.165) 17.213 18.234 ( 0.000 13.890 10.165) 17.213 18.501 ( 0.000 26.411 -4.446) 26.782 18.501 ( 0.000 26.411 4.446) 26.782 19.336 ( 0.000 -8.020 -3.506) 8.753 19.336 ( 0.000 -8.020 3.506) 8.753 20.104 ( 0.000 -7.811 -2.338) 8.153 20.104 ( 0.000 -7.811 2.338) 8.153 35.781 ( 0.000 -0.146 -2.405) 2.410 35.781 ( 0.000 -0.146 2.405) 2.410 36.086 ( 0.000 -9.285 -2.950) 9.743 36.086 ( 0.000 -9.285 2.950) 9.743 36.243 ( 0.000 -2.526 -1.301) 2.842 36.243 ( 0.000 -2.526 1.301) 2.842 36.338 ( 0.000 -3.555 -0.222) 3.562 36.338 ( 0.000 -3.555 0.222) 3.562 37.000 ( 0.000 7.831 -0.528) 7.848 37.000 ( 0.000 7.831 0.528) 7.848 37.924 ( 0.000 11.094 -7.143) 13.194 37.924 ( 0.000 11.094 7.143) 13.194 39.309 ( 0.000 -1.183 -0.026) 1.183 39.309 ( 0.000 -1.183 0.026) 1.183 39.361 ( 0.000 -2.688 -2.361) 3.577 39.361 ( 0.000 -2.688 2.361) 3.577 ======================= Grid point 156 (50/60) ======================= q-point: ( 0.17 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( 3.413 6.742 -4.509) 8.800 0.835 ( 3.413 6.742 4.509) 8.800 0.906 ( 4.748 7.506 -5.473) 10.433 0.906 ( 4.748 7.506 5.473) 10.433 1.112 ( 1.435 0.091 -0.475) 1.515 1.112 ( 1.435 0.091 0.475) 1.515 1.209 ( -1.120 1.143 -0.660) 1.731 1.209 ( -1.120 1.143 0.660) 1.731 1.303 ( 1.535 -1.149 -0.716) 2.047 1.303 ( 1.535 -1.149 0.716) 2.047 1.392 ( 1.903 3.504 -2.042) 4.480 1.392 ( 1.903 3.504 2.042) 4.480 1.420 ( 2.504 -0.320 -1.943) 3.185 1.420 ( 2.504 -0.320 1.943) 3.185 1.506 ( 0.474 -0.739 -0.222) 0.906 1.506 ( 0.474 -0.739 0.222) 0.906 1.542 ( 1.661 1.833 -4.576) 5.202 1.542 ( 1.661 1.833 4.576) 5.202 1.636 ( 2.533 -0.228 -4.840) 5.468 1.636 ( 2.533 -0.228 4.840) 5.468 1.741 ( -1.589 1.843 -0.975) 2.622 1.741 ( -1.589 1.843 0.975) 2.622 2.007 ( -1.624 -2.908 -2.272) 4.032 2.007 ( -1.624 -2.908 2.272) 4.032 3.929 ( 2.170 5.102 -0.824) 5.605 3.929 ( 2.170 5.102 0.824) 5.605 4.152 ( -1.429 5.784 -1.345) 6.107 4.152 ( -1.429 5.784 1.345) 6.107 4.334 ( -1.833 -0.537 -0.708) 2.037 4.334 ( -1.833 -0.537 0.708) 2.037 4.511 ( -5.277 -2.138 -2.838) 6.362 4.511 ( -5.277 -2.138 2.838) 6.362 4.711 ( -0.143 -2.684 -1.302) 2.987 4.711 ( -0.143 -2.684 1.302) 2.987 4.783 ( 1.380 -5.177 -3.799) 6.568 4.783 ( 1.380 -5.177 3.799) 6.568 7.416 ( 5.797 13.220 -11.651) 18.551 7.416 ( 5.797 13.220 11.651) 18.551 7.795 ( 0.904 11.929 -21.115) 24.268 7.795 ( 0.904 11.929 21.115) 24.268 8.573 ( 8.283 5.542 -6.513) 11.905 8.573 ( 8.283 5.542 6.513) 11.905 9.065 ( -3.254 5.589 -7.915) 10.221 9.065 ( -3.254 5.589 7.915) 10.221 9.492 ( 6.735 5.100 -4.103) 9.392 9.492 ( 6.735 5.100 4.103) 9.392 10.233 ( -0.476 4.557 -7.738) 8.992 10.233 ( -0.476 4.557 7.738) 8.992 15.487 ( 3.530 -5.818 -5.858) 8.979 15.487 ( 3.530 -5.818 5.858) 8.979 15.938 ( -2.099 -7.735 -2.137) 8.294 15.938 ( -2.099 -7.735 2.137) 8.294 16.357 ( 1.185 -0.368 -2.971) 3.220 16.357 ( 1.185 -0.368 2.971) 3.220 16.645 ( 3.114 8.933 -2.201) 9.713 16.645 ( 3.114 8.933 2.201) 9.713 16.996 ( -5.413 1.073 -1.938) 5.848 16.996 ( -5.413 1.073 1.938) 5.848 17.203 ( -5.537 7.922 -6.234) 11.501 17.203 ( -5.537 7.922 6.234) 11.501 18.037 ( -26.540 21.409 -8.514) 35.145 18.037 ( -26.540 21.409 8.514) 35.145 18.299 ( -0.301 13.487 -2.490) 13.718 18.299 ( -0.301 13.487 2.490) 13.718 19.736 ( 26.176 -5.200 -3.934) 26.976 19.736 ( 26.176 -5.200 3.934) 26.976 20.220 ( 10.680 -7.772 -10.606) 16.940 20.220 ( 10.680 -7.772 10.606) 16.940 35.790 ( 0.852 -0.285 -2.263) 2.435 35.790 ( 0.852 -0.285 2.263) 2.435 36.059 ( -2.111 -7.137 -1.983) 7.703 36.059 ( -2.111 -7.137 1.983) 7.703 36.286 ( 3.383 -4.464 -1.796) 5.882 36.286 ( 3.383 -4.464 1.796) 5.882 36.358 ( 1.806 -4.343 -0.669) 4.751 36.358 ( 1.806 -4.343 0.669) 4.751 37.040 ( 4.246 8.249 -0.756) 9.308 37.040 ( 4.246 8.249 0.756) 9.308 37.838 ( -8.248 10.872 -6.547) 15.136 37.838 ( -8.248 10.872 6.547) 15.136 39.320 ( 1.033 -1.197 -0.380) 1.626 39.320 ( 1.033 -1.197 0.380) 1.626 39.380 ( 1.806 -2.376 -1.805) 3.488 39.380 ( 1.806 -2.376 1.805) 3.488 ======================= Grid point 158 (51/60) ======================= q-point: ( 0.33 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( 4.855 5.148 -3.128) 7.736 0.920 ( 4.855 5.148 3.128) 7.736 1.001 ( 4.164 6.753 -4.366) 9.055 1.001 ( 4.164 6.753 4.366) 9.055 1.115 ( -1.264 0.792 -0.917) 1.751 1.115 ( -1.264 0.792 0.917) 1.751 1.180 ( -1.994 2.199 -1.980) 3.568 1.180 ( -1.994 2.199 1.980) 3.568 1.307 ( -0.633 -2.710 -0.569) 2.840 1.307 ( -0.633 -2.710 0.569) 2.840 1.439 ( 1.934 0.004 -0.859) 2.116 1.439 ( 1.934 0.004 0.859) 2.116 1.493 ( 3.883 1.714 -2.125) 4.747 1.493 ( 3.883 1.714 2.125) 4.747 1.530 ( 1.980 0.361 -0.801) 2.166 1.530 ( 1.980 0.361 0.801) 2.166 1.569 ( 0.763 1.139 -1.522) 2.048 1.569 ( 0.763 1.139 1.522) 2.048 1.695 ( -0.217 1.652 -0.643) 1.786 1.695 ( -0.217 1.652 0.643) 1.786 1.734 ( 4.681 1.111 -5.046) 6.972 1.734 ( 4.681 1.111 5.046) 6.972 1.955 ( -3.751 -1.849 -0.298) 4.192 1.955 ( -3.751 -1.849 0.298) 4.192 3.980 ( 2.577 6.491 -0.413) 6.996 3.980 ( 2.577 6.491 0.413) 6.996 4.120 ( -1.534 4.968 -1.049) 5.304 4.120 ( -1.534 4.968 1.049) 5.304 4.305 ( -0.585 -1.210 -1.040) 1.700 4.305 ( -0.585 -1.210 1.040) 1.700 4.412 ( -4.406 -2.341 -3.353) 6.011 4.412 ( -4.406 -2.341 3.353) 6.011 4.705 ( -0.274 -2.605 -1.303) 2.925 4.705 ( -0.274 -2.605 1.303) 2.925 4.790 ( -0.491 -4.510 -3.279) 5.598 4.790 ( -0.491 -4.510 3.279) 5.598 7.551 ( 6.929 16.636 -11.827) 21.556 7.551 ( 6.929 16.636 11.827) 21.556 7.804 ( -0.325 14.828 -17.651) 23.055 7.804 ( -0.325 14.828 17.651) 23.055 8.747 ( 7.404 3.360 -2.603) 8.537 8.747 ( 7.404 3.360 2.603) 8.537 9.013 ( -1.393 7.584 -6.526) 10.102 9.013 ( -1.393 7.584 6.526) 10.102 9.633 ( 6.466 -0.368 -2.677) 7.008 9.633 ( 6.466 -0.368 2.677) 7.008 10.220 ( -0.839 1.228 -5.541) 5.737 10.220 ( -0.839 1.228 5.541) 5.737 15.586 ( 6.209 -3.999 -4.488) 8.642 15.586 ( 6.209 -3.999 4.488) 8.642 15.881 ( -3.719 -7.945 -1.664) 8.928 15.881 ( -3.719 -7.945 1.664) 8.928 16.384 ( 1.299 6.591 -1.652) 6.918 16.384 ( 1.299 6.591 1.652) 6.918 16.710 ( 1.700 3.441 -2.114) 4.382 16.710 ( 1.700 3.441 2.114) 4.382 16.866 ( -4.069 6.566 -4.170) 8.779 16.866 ( -4.069 6.566 4.170) 8.779 17.117 ( -3.881 8.634 -4.871) 10.645 17.117 ( -3.881 8.634 4.871) 10.645 17.570 ( -17.990 19.913 -2.439) 26.946 17.570 ( -17.990 19.913 2.439) 26.946 18.318 ( 0.852 9.965 -1.611) 10.131 18.318 ( 0.852 9.965 1.611) 10.131 20.146 ( 14.597 -5.969 -11.154) 19.316 20.146 ( 14.597 -5.969 11.154) 19.316 20.444 ( 9.717 -6.428 -16.733) 20.390 20.444 ( 9.717 -6.428 16.733) 20.390 35.809 ( 0.991 -0.645 -1.577) 1.971 35.809 ( 0.991 -0.645 1.577) 1.971 36.020 ( -1.675 -4.874 -1.000) 5.250 36.020 ( -1.675 -4.874 1.000) 5.250 36.347 ( 2.397 -5.842 -1.629) 6.521 36.347 ( 2.397 -5.842 1.629) 6.521 36.394 ( 1.473 -5.828 -0.842) 6.070 36.394 ( 1.473 -5.828 0.842) 6.070 37.169 ( 8.785 9.049 -2.001) 12.769 37.169 ( 8.785 9.049 2.001) 12.769 37.628 ( -12.317 10.271 -5.301) 16.891 37.628 ( -12.317 10.271 5.301) 16.891 39.343 ( 1.099 -1.194 -0.392) 1.669 39.343 ( 1.099 -1.194 0.392) 1.669 39.420 ( 1.873 -1.908 -0.833) 2.801 39.420 ( 1.873 -1.908 0.833) 2.801 ======================= Grid point 160 (52/60) ======================= q-point: (-0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( 0.000 3.616 -0.000) 3.616 0.997 ( 0.000 3.616 0.000) 3.616 1.026 ( 0.000 4.626 -0.000) 4.626 1.026 ( 0.000 4.626 0.000) 4.626 1.109 ( 0.000 2.979 -0.000) 2.979 1.109 ( 0.000 2.979 0.000) 2.979 1.140 ( -0.000 4.460 -0.000) 4.460 1.140 ( -0.000 4.460 0.000) 4.460 1.299 ( 0.000 -3.754 -0.000) 3.754 1.299 ( 0.000 -3.754 0.000) 3.754 1.457 ( 0.000 -1.366 0.000) 1.366 1.457 ( 0.000 -1.366 0.000) 1.366 1.532 ( -0.000 1.600 -0.000) 1.600 1.532 ( -0.000 1.600 0.000) 1.600 1.553 ( 0.000 -0.341 -0.000) 0.341 1.553 ( 0.000 -0.341 0.000) 0.341 1.583 ( 0.000 3.839 -0.000) 3.839 1.583 ( 0.000 3.839 0.000) 3.839 1.679 ( 0.000 -0.087 -0.000) 0.087 1.679 ( -0.000 -0.087 0.000) 0.087 1.853 ( 0.000 -0.507 -0.000) 0.507 1.853 ( 0.000 -0.507 0.000) 0.507 1.860 ( -0.000 0.825 -0.000) 0.825 1.860 ( -0.000 0.825 0.000) 0.825 4.010 ( -0.000 7.679 -0.000) 7.679 4.010 ( 0.000 7.679 0.000) 7.679 4.102 ( 0.000 4.229 -0.000) 4.229 4.102 ( 0.000 4.229 0.000) 4.229 4.309 ( -0.000 -2.085 -0.000) 2.085 4.309 ( -0.000 -2.085 0.000) 2.085 4.357 ( 0.000 -2.296 0.000) 2.296 4.357 ( 0.000 -2.296 0.000) 2.296 4.702 ( -0.000 -2.332 0.000) 2.332 4.702 ( 0.000 -2.332 0.000) 2.332 4.781 ( 0.000 -4.382 -0.000) 4.382 4.781 ( 0.000 -4.382 0.000) 4.382 7.635 ( -0.000 18.934 -0.000) 18.934 7.635 ( -0.000 18.934 0.000) 18.934 7.791 ( 0.000 15.544 -0.000) 15.544 7.791 ( 0.000 15.544 0.000) 15.544 8.817 ( 0.000 2.596 0.000) 2.596 8.817 ( 0.000 2.596 0.000) 2.596 9.008 ( 0.000 7.966 -0.000) 7.966 9.008 ( 0.000 7.966 0.000) 7.966 9.705 ( 0.000 -2.709 -0.000) 2.709 9.705 ( 0.000 -2.709 0.000) 2.709 10.208 ( 0.000 -0.294 -0.000) 0.294 10.208 ( 0.000 -0.294 0.000) 0.294 15.678 ( 0.000 -2.310 0.000) 2.310 15.678 ( 0.000 -2.310 0.000) 2.310 15.819 ( 0.000 -9.136 -0.000) 9.136 15.819 ( 0.000 -9.136 0.000) 9.136 16.399 ( 0.000 12.103 -0.000) 12.103 16.399 ( 0.000 12.103 0.000) 12.103 16.692 ( -0.000 -2.662 -0.000) 2.662 16.692 ( 0.000 -2.662 0.000) 2.662 16.886 ( -0.000 10.265 0.000) 10.265 16.886 ( -0.000 10.265 0.000) 10.265 17.048 ( 0.000 10.446 -0.000) 10.446 17.048 ( 0.000 10.446 0.000) 10.446 17.389 ( -0.000 17.098 -0.000) 17.098 17.389 ( -0.000 17.098 0.000) 17.098 18.326 ( 0.000 9.088 -0.000) 9.088 18.326 ( 0.000 9.088 0.000) 9.088 20.293 ( 0.000 -7.239 -0.000) 7.239 20.293 ( 0.000 -7.239 0.000) 7.239 20.543 ( 0.000 -4.641 -0.000) 4.641 20.543 ( 0.000 -4.641 0.000) 4.641 35.821 ( -0.000 -0.894 -0.000) 0.894 35.821 ( 0.000 -0.894 0.000) 0.894 36.002 ( 0.000 -3.982 0.000) 3.982 36.002 ( 0.000 -3.982 0.000) 3.982 36.371 ( 0.000 -6.060 0.000) 6.060 36.371 ( 0.000 -6.060 0.000) 6.060 36.409 ( 0.000 -6.531 -0.000) 6.531 36.409 ( 0.000 -6.531 0.000) 6.531 37.355 ( -0.000 10.132 -0.000) 10.132 37.355 ( 0.000 10.132 0.000) 10.132 37.406 ( 0.000 9.181 -0.000) 9.181 37.406 ( -0.000 9.181 0.000) 9.181 39.355 ( 0.000 -1.169 0.000) 1.169 39.355 ( 0.000 -1.169 0.000) 1.169 39.441 ( 0.000 -1.734 0.000) 1.734 39.441 ( 0.000 -1.734 0.000) 1.734 ======================= Grid point 168 (53/60) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( 0.000 5.889 -2.336) 6.335 0.934 ( 0.000 5.889 2.336) 6.335 1.008 ( 0.000 7.635 -4.067) 8.651 1.008 ( 0.000 7.635 4.067) 8.651 1.082 ( 0.000 -0.777 -0.027) 0.777 1.082 ( 0.000 -0.777 0.027) 0.777 1.242 ( 0.000 -2.235 -0.167) 2.242 1.242 ( 0.000 -2.235 0.167) 2.242 1.259 ( 0.000 1.660 -1.896) 2.520 1.259 ( 0.000 1.660 1.896) 2.520 1.361 ( 0.000 -2.294 -2.360) 3.291 1.361 ( 0.000 -2.294 2.360) 3.291 1.435 ( 0.000 1.058 -1.064) 1.501 1.435 ( 0.000 1.058 1.064) 1.501 1.468 ( 0.000 -0.838 -1.268) 1.520 1.468 ( 0.000 -0.838 1.268) 1.520 1.525 ( 0.000 -2.385 -5.635) 6.119 1.525 ( 0.000 -2.385 5.635) 6.119 1.649 ( 0.000 4.174 -4.771) 6.339 1.649 ( 0.000 4.174 4.771) 6.339 1.800 ( 0.000 2.099 -0.940) 2.300 1.800 ( 0.000 2.099 0.940) 2.300 1.957 ( 0.000 -3.249 -2.481) 4.088 1.957 ( 0.000 -3.249 2.481) 4.088 3.949 ( 0.000 0.567 -0.959) 1.114 3.949 ( 0.000 0.567 0.959) 1.114 4.277 ( 0.000 4.768 -0.482) 4.793 4.277 ( 0.000 4.768 0.482) 4.793 4.349 ( 0.000 0.027 -0.286) 0.288 4.349 ( 0.000 0.027 0.286) 0.288 4.505 ( 0.000 -4.857 -2.392) 5.414 4.505 ( 0.000 -4.857 2.392) 5.414 4.675 ( 0.000 -1.496 -0.348) 1.536 4.675 ( 0.000 -1.496 0.348) 1.536 4.688 ( 0.000 -1.180 -0.207) 1.198 4.688 ( 0.000 -1.180 0.207) 1.198 7.521 ( 0.000 5.356 -4.285) 6.859 7.521 ( 0.000 5.356 4.285) 6.859 7.908 ( 0.000 2.991 -9.753) 10.201 7.908 ( 0.000 2.991 9.753) 10.201 8.637 ( 0.000 7.112 -0.225) 7.115 8.637 ( 0.000 7.112 0.225) 7.115 9.205 ( 0.000 6.126 -3.318) 6.966 9.205 ( 0.000 6.126 3.318) 6.966 9.565 ( 0.000 5.602 -2.232) 6.030 9.565 ( 0.000 5.602 2.232) 6.030 10.340 ( 0.000 3.671 -5.692) 6.773 10.340 ( 0.000 3.671 5.692) 6.773 15.372 ( 0.000 -2.024 -2.960) 3.586 15.372 ( 0.000 -2.024 2.960) 3.586 15.829 ( 0.000 -5.067 -0.869) 5.141 15.829 ( 0.000 -5.067 0.869) 5.141 16.299 ( 0.000 -1.576 -2.763) 3.181 16.299 ( 0.000 -1.576 2.763) 3.181 16.749 ( 0.000 3.393 -0.935) 3.520 16.749 ( 0.000 3.393 0.935) 3.520 17.068 ( 0.000 1.778 -0.903) 1.994 17.068 ( 0.000 1.778 0.903) 1.994 17.375 ( 0.000 4.247 -5.658) 7.075 17.375 ( 0.000 4.247 5.658) 7.075 18.497 ( 0.000 13.011 -7.061) 14.803 18.497 ( 0.000 13.011 7.061) 14.803 18.946 ( 0.000 7.943 -0.514) 7.959 18.946 ( 0.000 7.943 0.514) 7.959 19.227 ( 0.000 7.112 -2.343) 7.488 19.227 ( 0.000 7.112 2.343) 7.488 19.920 ( 0.000 -11.851 -4.896) 12.823 19.920 ( 0.000 -11.851 4.896) 12.823 35.789 ( 0.000 1.124 -1.532) 1.900 35.789 ( 0.000 1.124 1.532) 1.900 35.929 ( 0.000 -6.322 -1.029) 6.405 35.929 ( 0.000 -6.322 1.029) 6.405 36.214 ( 0.000 -0.898 -0.822) 1.217 36.214 ( 0.000 -0.898 0.822) 1.217 36.293 ( 0.000 -1.420 -0.137) 1.427 36.293 ( 0.000 -1.420 0.137) 1.427 37.124 ( 0.000 4.617 -0.298) 4.626 37.124 ( 0.000 4.617 0.298) 4.626 38.075 ( 0.000 4.781 -3.354) 5.841 38.075 ( 0.000 4.781 3.354) 5.841 39.275 ( 0.000 -1.755 -0.097) 1.758 39.275 ( 0.000 -1.755 0.097) 1.758 39.334 ( 0.000 -0.430 -0.808) 0.915 39.334 ( 0.000 -0.430 0.808) 0.915 ======================= Grid point 170 (54/60) ======================= q-point: ( 0.17 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( 2.133 5.190 -2.222) 6.035 0.957 ( 2.133 5.190 2.222) 6.035 1.046 ( 3.233 5.631 -2.543) 6.973 1.046 ( 3.233 5.631 2.543) 6.973 1.109 ( 2.229 0.593 -1.519) 2.761 1.109 ( 2.229 0.593 1.519) 2.761 1.228 ( -1.118 0.924 -0.732) 1.625 1.228 ( -1.118 0.924 0.732) 1.625 1.275 ( 0.955 -1.380 -1.389) 2.178 1.275 ( 0.955 -1.380 1.389) 2.178 1.375 ( 0.870 -3.264 -1.254) 3.603 1.375 ( 0.870 -3.264 1.254) 3.603 1.457 ( 2.133 0.756 -1.749) 2.860 1.457 ( 2.133 0.756 1.749) 2.860 1.493 ( 2.801 0.553 -2.124) 3.558 1.493 ( 2.801 0.553 2.124) 3.558 1.540 ( 1.645 -0.876 -4.880) 5.223 1.540 ( 1.645 -0.876 4.880) 5.223 1.683 ( 3.184 3.060 -4.271) 6.143 1.683 ( 3.184 3.060 4.271) 6.143 1.781 ( -1.769 2.442 -1.306) 3.286 1.781 ( -1.769 2.442 1.306) 3.286 1.944 ( -1.288 -3.274 -1.813) 3.958 1.944 ( -1.288 -3.274 1.813) 3.958 3.981 ( 3.036 0.845 -0.872) 3.270 3.981 ( 3.036 0.845 0.872) 3.270 4.255 ( -2.056 4.394 -0.626) 4.891 4.255 ( -2.056 4.394 0.626) 4.891 4.331 ( -1.736 0.322 -0.617) 1.871 4.331 ( -1.736 0.322 0.617) 1.871 4.450 ( -4.432 -3.769 -1.869) 6.111 4.450 ( -4.432 -3.769 1.869) 6.111 4.671 ( -0.190 -0.935 -0.323) 1.007 4.671 ( -0.190 -0.935 0.323) 1.007 4.709 ( 1.026 -2.611 -1.177) 3.042 4.709 ( 1.026 -2.611 1.177) 3.042 7.614 ( 8.761 6.741 -4.876) 12.081 7.614 ( 8.761 6.741 4.876) 12.081 7.963 ( 4.794 5.041 -10.576) 12.659 7.963 ( 4.794 5.041 10.576) 12.659 8.684 ( 4.654 4.847 -0.494) 6.737 8.684 ( 4.654 4.847 0.494) 6.737 9.184 ( -2.053 6.154 -4.546) 7.921 9.184 ( -2.053 6.154 4.546) 7.921 9.609 ( 4.085 5.723 -1.171) 7.128 9.609 ( 4.085 5.723 1.171) 7.128 10.293 ( -4.343 1.505 -5.871) 7.456 10.293 ( -4.343 1.505 5.871) 7.456 15.417 ( 4.443 -1.803 -2.834) 5.570 15.417 ( 4.443 -1.803 2.834) 5.570 15.811 ( -1.794 -4.853 -0.994) 5.268 15.811 ( -1.794 -4.853 0.994) 5.268 16.340 ( 4.013 -0.842 -2.797) 4.964 16.340 ( 4.013 -0.842 2.797) 4.964 16.762 ( 0.709 2.258 -0.677) 2.462 16.762 ( 0.709 2.258 0.677) 2.462 17.050 ( -1.303 4.178 -2.068) 4.840 17.050 ( -1.303 4.178 2.068) 4.840 17.349 ( -2.359 6.464 -4.754) 8.364 17.349 ( -2.359 6.464 4.754) 8.364 18.353 ( -18.615 10.610 -7.422) 22.675 18.353 ( -18.615 10.610 7.422) 22.675 18.532 ( -15.368 8.345 -4.610) 18.085 18.532 ( -15.368 8.345 4.610) 18.085 19.696 ( 26.067 2.763 -2.691) 26.350 19.696 ( 26.067 2.763 2.691) 26.350 20.065 ( 12.874 -8.542 -9.422) 18.097 20.065 ( 12.874 -8.542 9.422) 18.097 35.796 ( 0.638 1.039 -1.424) 1.875 35.796 ( 0.638 1.039 1.424) 1.875 35.927 ( -0.210 -5.725 -0.846) 5.791 35.927 ( -0.210 -5.725 0.846) 5.791 36.235 ( 1.927 -1.338 -1.286) 2.675 36.235 ( 1.927 -1.338 1.286) 2.675 36.301 ( 0.724 -1.823 -0.338) 1.990 36.301 ( 0.724 -1.823 0.338) 1.990 37.169 ( 4.570 4.649 -0.441) 6.534 37.169 ( 4.570 4.649 0.441) 6.534 37.990 ( -8.285 4.894 -3.135) 10.120 37.990 ( -8.285 4.894 3.135) 10.120 39.293 ( 1.642 -1.282 -0.167) 2.089 39.293 ( 1.642 -1.282 0.167) 2.089 39.350 ( 1.538 -0.786 -0.642) 1.843 39.350 ( 1.538 -0.786 0.642) 1.843 ======================= Grid point 172 (55/60) ======================= q-point: ( 0.33 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( 2.845 3.574 -1.502) 4.808 1.008 ( 2.845 3.574 1.502) 4.808 1.099 ( 1.291 1.226 -0.242) 1.796 1.099 ( 1.291 1.226 0.242) 1.796 1.153 ( 2.211 4.448 -3.289) 5.957 1.153 ( 2.211 4.448 3.289) 5.957 1.206 ( -0.868 1.228 -1.028) 1.822 1.206 ( -0.868 1.228 1.028) 1.822 1.279 ( -0.642 -0.425 -0.368) 0.854 1.279 ( -0.642 -0.425 0.368) 0.854 1.384 ( 0.158 -4.364 -0.245) 4.374 1.384 ( 0.158 -4.364 0.245) 4.374 1.508 ( 2.755 0.145 -2.248) 3.559 1.508 ( 2.755 0.145 2.248) 3.559 1.550 ( 1.784 -0.598 -1.750) 2.570 1.550 ( 1.784 -0.598 1.750) 2.570 1.602 ( 4.384 3.706 -2.549) 6.281 1.602 ( 4.384 3.706 2.549) 6.281 1.729 ( -1.503 0.687 -0.774) 1.825 1.729 ( -1.503 0.687 0.774) 1.825 1.771 ( 3.553 2.755 -2.537) 5.162 1.771 ( 3.553 2.755 2.537) 5.162 1.910 ( -2.199 -2.618 -0.217) 3.426 1.910 ( -2.199 -2.618 0.217) 3.426 4.057 ( 4.325 1.662 -0.560) 4.667 4.057 ( 4.325 1.662 0.560) 4.667 4.207 ( -2.727 3.479 -0.633) 4.466 4.207 ( -2.727 3.479 0.633) 4.466 4.295 ( -1.480 0.251 -0.535) 1.593 4.295 ( -1.480 0.251 0.535) 1.593 4.364 ( -3.893 -2.442 -1.768) 4.924 4.364 ( -3.893 -2.442 1.768) 4.924 4.668 ( -0.135 -1.011 -0.528) 1.149 4.668 ( -0.135 -1.011 0.528) 1.149 4.713 ( -0.471 -3.122 -1.319) 3.422 4.713 ( -0.471 -3.122 1.319) 3.422 7.820 ( 10.751 9.936 -6.337) 15.952 7.820 ( 10.751 9.936 6.337) 15.952 8.045 ( 2.246 8.971 -10.803) 14.221 8.045 ( 2.246 8.971 10.803) 14.221 8.806 ( 6.873 2.118 -1.674) 7.384 8.806 ( 6.873 2.118 1.674) 7.384 9.127 ( -3.552 3.897 -4.601) 6.998 9.127 ( -3.552 3.897 4.601) 6.998 9.702 ( 4.645 6.792 -1.358) 8.340 9.702 ( 4.645 6.792 1.358) 8.340 10.196 ( -4.748 -3.451 -5.170) 7.822 10.196 ( -4.748 -3.451 5.170) 7.822 15.532 ( 6.687 -1.760 -2.530) 7.363 15.532 ( 6.687 -1.760 2.530) 7.363 15.759 ( -3.537 -4.343 -1.420) 5.778 15.759 ( -3.537 -4.343 1.420) 5.778 16.445 ( 6.414 1.008 -2.465) 6.945 16.445 ( 6.414 1.008 2.465) 6.945 16.733 ( -4.443 -0.093 -2.333) 5.019 16.733 ( -4.443 -0.093 2.333) 5.019 17.062 ( 3.406 10.000 -4.830) 11.616 17.062 ( 3.406 10.000 4.830) 11.616 17.295 ( -3.106 8.636 -2.876) 9.618 17.295 ( -3.106 8.636 2.876) 9.618 17.927 ( -18.643 16.037 -2.428) 24.711 17.927 ( -18.643 16.037 2.428) 24.711 18.379 ( -4.233 -3.929 -2.345) 6.233 18.379 ( -4.233 -3.929 2.345) 6.233 20.101 ( 14.374 1.920 -6.183) 15.765 20.101 ( 14.374 1.920 6.183) 15.765 20.328 ( 11.430 -5.734 -11.025) 16.884 20.328 ( 11.430 -5.734 11.025) 16.884 35.810 ( 0.694 0.845 -0.961) 1.456 35.810 ( 0.694 0.845 0.961) 1.456 35.922 ( -0.296 -4.657 -0.463) 4.689 35.922 ( -0.296 -4.657 0.463) 4.689 36.276 ( 1.830 -1.945 -1.379) 3.006 36.276 ( 1.830 -1.945 1.379) 3.006 36.314 ( 0.442 -2.596 -0.610) 2.703 36.314 ( 0.442 -2.596 0.610) 2.703 37.305 ( 9.205 4.752 -1.150) 10.423 37.305 ( 9.205 4.752 1.150) 10.423 37.776 ( -12.643 4.967 -2.658) 13.841 37.776 ( -12.643 4.967 2.658) 13.841 39.328 ( 1.620 -0.227 -0.209) 1.649 39.328 ( 1.620 -0.227 0.209) 1.649 39.385 ( 1.647 -1.612 -0.335) 2.329 39.385 ( 1.647 -1.612 0.335) 2.329 ======================= Grid point 174 (56/60) ======================= q-point: (-0.50 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( 0.000 1.825 -0.000) 1.825 1.047 ( 0.000 1.825 0.000) 1.825 1.100 ( 0.000 1.908 -0.000) 1.908 1.100 ( 0.000 1.908 0.000) 1.908 1.184 ( 0.000 4.124 -0.000) 4.124 1.184 ( 0.000 4.124 0.000) 4.124 1.196 ( -0.000 1.171 -0.000) 1.171 1.196 ( -0.000 1.171 0.000) 1.171 1.266 ( 0.000 1.094 -0.000) 1.094 1.266 ( 0.000 1.094 0.000) 1.094 1.385 ( 0.000 -4.869 -0.000) 4.869 1.385 ( 0.000 -4.869 0.000) 4.869 1.545 ( -0.000 -0.156 -0.000) 0.156 1.545 ( -0.000 -0.156 0.000) 0.156 1.562 ( 0.000 0.323 -0.000) 0.323 1.562 ( 0.000 0.323 0.000) 0.323 1.656 ( 0.000 3.469 -0.000) 3.469 1.656 ( 0.000 3.469 0.000) 3.469 1.702 ( 0.000 2.012 -0.000) 2.012 1.702 ( 0.000 2.012 0.000) 2.012 1.837 ( 0.000 -0.841 -0.000) 0.841 1.837 ( 0.000 -0.841 0.000) 0.841 1.865 ( 0.000 -0.536 -0.000) 0.536 1.865 ( -0.000 -0.536 0.000) 0.536 4.125 ( -0.000 3.715 -0.000) 3.715 4.125 ( 0.000 3.715 0.000) 3.715 4.158 ( 0.000 1.385 0.000) 1.385 4.158 ( 0.000 1.385 0.000) 1.385 4.283 ( -0.000 -0.320 -0.000) 0.320 4.283 ( 0.000 -0.320 0.000) 0.320 4.317 ( 0.000 -1.555 0.000) 1.555 4.317 ( 0.000 -1.555 0.000) 1.555 4.667 ( 0.000 -1.099 0.000) 1.099 4.667 ( 0.000 -1.099 0.000) 1.099 4.705 ( 0.000 -3.142 -0.000) 3.142 4.705 ( 0.000 -3.142 0.000) 3.142 7.963 ( -0.000 13.253 -0.000) 13.253 7.963 ( -0.000 13.253 0.000) 13.253 8.042 ( 0.000 9.040 -0.000) 9.040 8.042 ( 0.000 9.040 0.000) 9.040 8.894 ( 0.000 5.026 0.000) 5.026 8.894 ( 0.000 5.026 0.000) 5.026 9.076 ( 0.000 -1.457 -0.000) 1.457 9.076 ( 0.000 -1.457 0.000) 1.457 9.757 ( 0.000 8.208 -0.000) 8.208 9.757 ( -0.000 8.208 0.000) 8.208 10.141 ( 0.000 -6.699 -0.000) 6.699 10.141 ( 0.000 -6.699 0.000) 6.699 15.642 ( 0.000 -1.355 0.000) 1.355 15.642 ( 0.000 -1.355 0.000) 1.355 15.684 ( 0.000 -4.636 -0.000) 4.636 15.684 ( 0.000 -4.636 0.000) 4.636 16.554 ( 0.000 4.354 -0.000) 4.354 16.554 ( 0.000 4.354 0.000) 4.354 16.637 ( 0.000 -2.162 0.000) 2.162 16.637 ( -0.000 -2.162 0.000) 2.162 17.136 ( 0.000 13.053 0.000) 13.053 17.136 ( 0.000 13.053 0.000) 13.053 17.240 ( 0.000 7.487 -0.000) 7.487 17.240 ( 0.000 7.487 0.000) 7.487 17.726 ( 0.000 17.410 0.000) 17.410 17.726 ( 0.000 17.410 0.000) 17.410 18.338 ( 0.000 -7.993 0.000) 7.993 18.338 ( 0.000 -7.993 0.000) 7.993 20.245 ( 0.000 2.324 0.000) 2.324 20.245 ( -0.000 2.324 0.000) 2.324 20.448 ( 0.000 -5.191 -0.000) 5.191 20.448 ( 0.000 -5.191 0.000) 5.191 35.818 ( 0.000 0.737 -0.000) 0.737 35.818 ( 0.000 0.737 0.000) 0.737 35.918 ( 0.000 -4.163 -0.000) 4.163 35.918 ( 0.000 -4.163 0.000) 4.163 36.297 ( 0.000 -2.016 -0.000) 2.016 36.297 ( 0.000 -2.016 0.000) 2.016 36.317 ( 0.000 -3.098 -0.000) 3.098 36.317 ( 0.000 -3.098 0.000) 3.098 37.509 ( -0.000 5.562 -0.000) 5.562 37.509 ( 0.000 5.562 0.000) 5.562 37.536 ( 0.000 4.196 -0.000) 4.196 37.536 ( 0.000 4.196 0.000) 4.196 39.346 ( 0.000 0.319 0.000) 0.319 39.346 ( 0.000 0.319 0.000) 0.319 39.403 ( 0.000 -2.043 0.000) 2.043 39.403 ( 0.000 -2.043 0.000) 2.043 ======================= Grid point 182 (57/60) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( 0.000 0.000 0.000) 0.000 1.000 ( 0.000 0.000 0.000) 0.000 1.064 ( 0.000 -0.000 0.000) 0.000 1.064 ( 0.000 0.000 0.000) 0.000 1.117 ( 0.000 0.000 -0.000) 0.000 1.117 ( 0.000 0.000 0.000) 0.000 1.198 ( 0.000 0.000 0.000) 0.000 1.198 ( 0.000 0.000 0.000) 0.000 1.304 ( 0.000 -0.000 0.000) 0.000 1.304 ( 0.000 0.000 0.000) 0.000 1.307 ( 0.000 -0.000 -0.000) 0.000 1.307 ( 0.000 0.000 -0.000) 0.000 1.424 ( 0.000 0.000 -0.000) 0.000 1.424 ( 0.000 0.000 0.000) 0.000 1.472 ( 0.000 0.000 -0.000) 0.000 1.472 ( 0.000 0.000 0.000) 0.000 1.506 ( 0.000 -0.000 -0.000) 0.000 1.506 ( 0.000 0.000 0.000) 0.000 1.689 ( 0.000 0.000 -0.000) 0.000 1.689 ( 0.000 0.000 0.000) 0.000 1.831 ( 0.000 0.000 0.000) 0.000 1.831 ( 0.000 0.000 0.000) 0.000 1.916 ( 0.000 0.000 0.000) 0.000 1.916 ( 0.000 0.000 -0.000) 0.000 3.952 ( 0.000 0.000 -0.000) 0.000 3.952 ( 0.000 0.000 0.000) 0.000 4.324 ( 0.000 0.000 0.000) 0.000 4.324 ( 0.000 0.000 0.000) 0.000 4.367 ( 0.000 0.000 -0.000) 0.000 4.367 ( 0.000 0.000 -0.000) 0.000 4.437 ( 0.000 -0.000 -0.000) 0.000 4.437 ( 0.000 0.000 -0.000) 0.000 4.666 ( 0.000 0.000 0.000) 0.000 4.666 ( 0.000 0.000 0.000) 0.000 4.674 ( 0.000 -0.000 0.000) 0.000 4.674 ( 0.000 0.000 0.000) 0.000 7.571 ( 0.000 0.000 -0.000) 0.000 7.571 ( 0.000 0.000 -0.000) 0.000 7.931 ( 0.000 0.000 0.000) 0.000 7.931 ( 0.000 0.000 0.000) 0.000 8.712 ( 0.000 0.000 0.000) 0.000 8.712 ( 0.000 0.000 0.000) 0.000 9.279 ( 0.000 0.000 0.000) 0.000 9.279 ( 0.000 0.000 0.000) 0.000 9.620 ( 0.000 0.000 -0.000) 0.000 9.620 ( 0.000 0.000 0.000) 0.000 10.375 ( 0.000 0.000 0.000) 0.000 10.375 ( 0.000 0.000 0.000) 0.000 15.355 ( 0.000 0.000 -0.000) 0.000 15.355 ( 0.000 0.000 0.000) 0.000 15.778 ( 0.000 0.000 -0.000) 0.000 15.778 ( 0.000 0.000 0.000) 0.000 16.283 ( 0.000 0.000 0.000) 0.000 16.283 ( 0.000 0.000 0.000) 0.000 16.773 ( 0.000 0.000 0.000) 0.000 16.773 ( 0.000 0.000 0.000) 0.000 17.092 ( 0.000 0.000 -0.000) 0.000 17.092 ( 0.000 0.000 0.000) 0.000 17.423 ( 0.000 0.000 0.000) 0.000 17.423 ( 0.000 0.000 0.000) 0.000 18.685 ( 0.000 0.000 0.000) 0.000 18.685 ( 0.000 0.000 0.000) 0.000 18.862 ( 0.000 0.000 0.000) 0.000 18.862 ( 0.000 0.000 -0.000) 0.000 19.535 ( 0.000 0.000 0.000) 0.000 19.535 ( 0.000 0.000 0.000) 0.000 19.671 ( 0.000 -0.000 -0.000) 0.000 19.671 ( 0.000 0.000 -0.000) 0.000 35.818 ( 0.000 -0.000 -0.000) 0.000 35.818 ( 0.000 0.000 0.000) 0.000 35.850 ( 0.000 0.000 0.000) 0.000 35.850 ( 0.000 0.000 0.000) 0.000 36.205 ( 0.000 0.000 -0.000) 0.000 36.205 ( 0.000 0.000 0.000) 0.000 36.279 ( 0.000 0.000 0.000) 0.000 36.279 ( 0.000 0.000 0.000) 0.000 37.170 ( 0.000 0.000 0.000) 0.000 37.170 ( 0.000 0.000 0.000) 0.000 38.120 ( 0.000 0.000 0.000) 0.000 38.120 ( 0.000 0.000 0.000) 0.000 39.257 ( 0.000 0.000 0.000) 0.000 39.257 ( 0.000 0.000 0.000) 0.000 39.331 ( 0.000 0.000 -0.000) 0.000 39.331 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 186 (58/60) ======================= q-point: ( 0.17 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( 1.446 0.000 0.000) 1.446 1.015 ( 1.446 0.000 0.000) 1.446 1.071 ( 0.988 0.000 -0.000) 0.988 1.071 ( 0.988 0.000 0.000) 0.988 1.167 ( 3.732 0.000 -0.000) 3.732 1.167 ( 3.732 0.000 0.000) 3.732 1.215 ( 1.305 0.000 0.000) 1.305 1.215 ( 1.305 0.000 0.000) 1.305 1.296 ( -0.788 -0.000 0.000) 0.788 1.296 ( -0.788 0.000 0.000) 0.788 1.302 ( -0.158 -0.000 -0.000) 0.158 1.302 ( -0.158 0.000 -0.000) 0.158 1.455 ( 2.842 0.000 0.000) 2.842 1.455 ( 2.842 0.000 0.000) 2.842 1.490 ( 1.699 0.000 -0.000) 1.699 1.490 ( 1.699 0.000 0.000) 1.699 1.552 ( 4.480 -0.000 -0.000) 4.480 1.552 ( 4.480 0.000 0.000) 4.480 1.707 ( 1.504 0.000 -0.000) 1.504 1.707 ( 1.504 0.000 0.000) 1.504 1.820 ( -1.043 0.000 0.000) 1.043 1.820 ( -1.043 0.000 -0.000) 1.043 1.901 ( -1.319 0.000 -0.000) 1.319 1.901 ( -1.319 0.000 0.000) 1.319 3.986 ( 3.278 0.000 -0.000) 3.278 3.986 ( 3.278 0.000 0.000) 3.278 4.298 ( -2.387 0.000 0.000) 2.387 4.298 ( -2.387 0.000 0.000) 2.387 4.353 ( -1.418 -0.000 -0.000) 1.418 4.353 ( -1.418 0.000 0.000) 1.418 4.392 ( -3.732 -0.000 -0.000) 3.732 4.392 ( -3.732 0.000 -0.000) 3.732 4.671 ( -0.330 -0.000 0.000) 0.330 4.671 ( -0.330 0.000 0.000) 0.330 4.677 ( 0.586 -0.000 -0.000) 0.586 4.677 ( 0.586 0.000 -0.000) 0.586 7.679 ( 10.172 0.000 -0.000) 10.172 7.679 ( 10.172 0.000 -0.000) 10.172 8.007 ( 6.811 0.000 0.000) 6.811 8.007 ( 6.811 0.000 0.000) 6.811 8.734 ( 2.511 0.000 0.000) 2.511 8.734 ( 2.511 0.000 0.000) 2.511 9.255 ( -2.601 0.000 0.000) 2.601 9.255 ( -2.601 0.000 0.000) 2.601 9.672 ( 5.005 0.000 -0.000) 5.005 9.672 ( 5.005 0.000 0.000) 5.005 10.304 ( -6.803 0.000 -0.000) 6.803 10.304 ( -6.803 0.000 0.000) 6.803 15.402 ( 4.531 0.000 0.000) 4.531 15.402 ( 4.531 0.000 0.000) 4.531 15.762 ( -1.560 0.000 -0.000) 1.560 15.762 ( -1.560 0.000 0.000) 1.560 16.331 ( 4.665 0.000 -0.000) 4.665 16.331 ( 4.665 0.000 0.000) 4.665 16.774 ( -0.385 0.000 -0.000) 0.385 16.774 ( -0.385 0.000 0.000) 0.385 17.101 ( 1.300 0.000 -0.000) 1.300 17.101 ( 1.300 0.000 0.000) 1.300 17.421 ( -0.316 0.000 0.000) 0.316 17.421 ( -0.316 0.000 0.000) 0.316 18.460 ( -16.776 0.000 -0.000) 16.776 18.460 ( -16.776 0.000 0.000) 16.776 18.599 ( -20.101 0.000 -0.000) 20.101 18.599 ( -20.101 0.000 0.000) 20.101 19.799 ( 20.339 -0.000 0.000) 20.339 19.799 ( 20.339 0.000 0.000) 20.339 19.919 ( 18.467 0.000 -0.000) 18.467 19.919 ( 18.467 0.000 -0.000) 18.467 35.824 ( 0.535 -0.000 -0.000) 0.535 35.824 ( 0.535 -0.000 0.000) 0.535 35.854 ( 0.277 0.000 0.000) 0.277 35.854 ( 0.277 0.000 0.000) 0.277 36.223 ( 1.632 0.000 -0.000) 1.632 36.223 ( 1.632 0.000 0.000) 1.632 36.283 ( 0.373 0.000 -0.000) 0.373 36.283 ( 0.373 0.000 0.000) 0.373 37.215 ( 4.573 0.000 0.000) 4.573 37.215 ( 4.573 0.000 0.000) 4.573 38.037 ( -8.173 0.000 -0.000) 8.173 38.037 ( -8.173 0.000 0.000) 8.173 39.279 ( 2.146 0.000 0.000) 2.146 39.279 ( 2.146 0.000 0.000) 2.146 39.343 ( 1.134 0.000 0.000) 1.134 39.343 ( 1.134 0.000 0.000) 1.134 ======================= Grid point 190 (59/60) ======================= q-point: ( 0.33 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( 2.006 0.000 -0.000) 2.006 1.051 ( 2.006 0.000 0.000) 2.006 1.089 ( 0.524 0.000 -0.000) 0.524 1.089 ( 0.524 0.000 0.000) 0.524 1.223 ( 1.467 -0.000 0.000) 1.467 1.223 ( 1.467 0.000 0.000) 1.467 1.233 ( 0.363 0.000 -0.000) 0.363 1.233 ( 0.363 0.000 0.000) 0.363 1.289 ( 0.196 -0.000 0.000) 0.196 1.289 ( 0.196 0.000 0.000) 0.196 1.300 ( -0.014 -0.000 -0.000) 0.014 1.300 ( -0.014 0.000 -0.000) 0.014 1.517 ( 2.988 0.000 -0.000) 2.988 1.517 ( 2.988 0.000 0.000) 2.988 1.530 ( 2.048 0.000 -0.000) 2.048 1.530 ( 2.048 0.000 0.000) 2.048 1.657 ( 4.897 0.000 0.000) 4.897 1.657 ( 4.897 0.000 0.000) 4.897 1.727 ( 0.006 0.000 -0.000) 0.006 1.727 ( 0.006 0.000 -0.000) 0.006 1.805 ( 0.250 0.000 -0.000) 0.250 1.805 ( 0.250 0.000 0.000) 0.250 1.875 ( -1.201 0.000 -0.000) 1.201 1.875 ( -1.201 0.000 0.000) 1.201 4.069 ( 4.820 0.000 -0.000) 4.820 4.069 ( 4.820 0.000 0.000) 4.820 4.240 ( -3.452 0.000 0.000) 3.452 4.240 ( -3.452 0.000 0.000) 3.452 4.317 ( -1.939 -0.000 -0.000) 1.939 4.317 ( -1.939 0.000 0.000) 1.939 4.322 ( -2.783 -0.000 0.000) 2.783 4.322 ( -2.783 0.000 -0.000) 2.783 4.664 ( -0.273 -0.000 0.000) 0.273 4.664 ( -0.273 0.000 0.000) 0.273 4.676 ( -0.547 0.000 0.000) 0.547 4.676 ( -0.547 0.000 0.000) 0.547 7.918 ( 12.601 0.000 -0.000) 12.601 7.918 ( 12.601 0.000 -0.000) 12.601 8.134 ( 4.054 0.000 0.000) 4.054 8.134 ( 4.054 0.000 0.000) 4.054 8.824 ( 6.982 0.000 -0.000) 6.982 8.824 ( 6.982 0.000 0.000) 6.982 9.166 ( -6.691 0.000 -0.000) 6.691 9.166 ( -6.691 0.000 0.000) 6.691 9.800 ( 7.621 0.000 -0.000) 7.621 9.800 ( 7.621 0.000 0.000) 7.621 10.139 ( -9.198 0.000 -0.000) 9.198 10.139 ( -9.198 0.000 0.000) 9.198 15.515 ( 6.431 0.000 0.000) 6.431 15.515 ( 6.431 0.000 0.000) 6.431 15.716 ( -3.159 0.000 0.000) 3.159 15.716 ( -3.159 0.000 0.000) 3.159 16.453 ( 7.343 0.000 -0.000) 7.343 16.453 ( 7.343 0.000 0.000) 7.343 16.730 ( -4.548 0.000 -0.000) 4.548 16.730 ( -4.548 0.000 0.000) 4.548 17.165 ( 5.510 0.000 -0.000) 5.510 17.165 ( 5.510 0.000 0.000) 5.510 17.396 ( -2.775 0.000 -0.000) 2.775 17.396 ( -2.775 0.000 0.000) 2.775 18.172 ( -10.869 -0.000 0.000) 10.869 18.172 ( -10.869 0.000 0.000) 10.869 18.233 ( -14.894 -0.000 -0.000) 14.894 18.233 ( -14.894 0.000 -0.000) 14.894 20.168 ( 15.001 -0.000 0.000) 15.001 20.168 ( 15.001 -0.000 0.000) 15.001 20.235 ( 11.783 0.000 0.000) 11.783 20.235 ( 11.783 0.000 -0.000) 11.783 35.837 ( 0.770 -0.000 -0.000) 0.770 35.837 ( 0.770 -0.000 0.000) 0.770 35.857 ( -0.030 0.000 0.000) 0.030 35.857 ( -0.030 0.000 0.000) 0.030 36.258 ( 1.665 0.000 -0.000) 1.665 36.258 ( 1.665 0.000 0.000) 1.665 36.289 ( 0.078 0.000 -0.000) 0.078 36.289 ( 0.078 0.000 0.000) 0.078 37.351 ( 9.263 0.000 0.000) 9.263 37.351 ( 9.263 0.000 0.000) 9.263 37.824 ( -12.649 0.000 -0.000) 12.649 37.824 ( -12.649 0.000 0.000) 12.649 39.329 ( 2.539 0.000 0.000) 2.539 39.329 ( 2.539 0.000 0.000) 2.539 39.366 ( 0.832 -0.000 0.000) 0.832 39.366 ( 0.832 0.000 0.000) 0.832 ======================= Grid point 194 (60/60) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( -0.287 -2.002 -0.000) 2.023 1.084 ( -0.287 -2.002 0.000) 2.023 1.084 ( 0.287 2.002 0.000) 2.023 1.084 ( 0.287 2.002 0.000) 2.023 1.234 ( -0.021 -0.300 0.000) 0.300 1.234 ( -0.021 -0.300 0.000) 0.300 1.234 ( 0.021 0.300 0.000) 0.300 1.234 ( 0.021 0.300 0.000) 0.300 1.297 ( -0.023 -3.013 -0.000) 3.013 1.297 ( -0.023 -3.013 0.000) 3.013 1.297 ( 0.023 3.013 -0.000) 3.013 1.297 ( 0.023 3.013 0.000) 3.013 1.553 ( -0.043 -0.789 -0.000) 0.790 1.553 ( -0.043 -0.789 0.000) 0.790 1.553 ( 0.043 0.789 -0.000) 0.790 1.553 ( 0.043 0.789 0.000) 0.790 1.711 ( -0.471 -1.565 -0.000) 1.634 1.711 ( -0.471 -1.565 0.000) 1.634 1.711 ( 0.471 1.565 -0.000) 1.634 1.711 ( 0.471 1.565 0.000) 1.634 1.842 ( -1.664 -1.017 -0.000) 1.950 1.842 ( -1.664 -1.017 0.000) 1.950 1.842 ( 1.664 1.017 0.000) 1.950 1.842 ( 1.664 1.017 0.000) 1.950 4.162 ( -4.260 -0.207 -0.000) 4.265 4.162 ( -4.260 -0.207 0.000) 4.265 4.162 ( 4.260 0.207 0.000) 4.265 4.162 ( 4.260 0.207 0.000) 4.265 4.294 ( -0.000 -1.037 0.000) 1.037 4.294 ( -0.000 -1.037 0.000) 1.037 4.294 ( 0.000 1.037 -0.000) 1.037 4.294 ( 0.000 1.037 0.000) 1.037 4.665 ( -0.089 -0.911 0.000) 0.915 4.665 ( -0.089 -0.911 0.000) 0.915 4.665 ( 0.089 0.911 0.000) 0.915 4.665 ( 0.089 0.911 0.000) 0.915 8.115 ( -5.191 -1.050 0.000) 5.296 8.115 ( -5.191 -1.050 -0.000) 5.296 8.115 ( 5.191 1.050 0.000) 5.296 8.115 ( 5.191 1.050 0.000) 5.296 8.998 ( -6.585 -3.904 0.000) 7.655 8.998 ( -6.585 -3.904 0.000) 7.655 8.998 ( 6.585 3.904 0.000) 7.655 8.998 ( 6.585 3.904 0.000) 7.655 9.961 ( -3.169 -10.273 0.000) 10.751 9.961 ( -3.169 -10.273 0.000) 10.751 9.961 ( 3.169 10.273 0.000) 10.751 9.961 ( 3.169 10.273 0.000) 10.751 15.634 ( -5.067 -0.225 0.000) 5.072 15.634 ( -5.067 -0.225 0.000) 5.072 15.634 ( 5.067 0.225 0.000) 5.072 15.634 ( 5.067 0.225 0.000) 5.072 16.604 ( -7.008 -0.619 0.000) 7.035 16.604 ( -7.008 -0.619 0.000) 7.035 16.604 ( 7.008 0.619 0.000) 7.035 16.604 ( 7.008 0.619 0.000) 7.035 17.298 ( -5.642 -1.404 0.000) 5.814 17.298 ( -5.642 -1.404 0.000) 5.814 17.298 ( 5.642 1.404 0.000) 5.814 17.298 ( 5.642 1.404 0.000) 5.814 18.070 ( -0.041 -17.374 0.000) 17.374 18.070 ( -0.041 -17.374 0.000) 17.374 18.070 ( 0.041 17.374 0.000) 17.374 18.070 ( 0.041 17.374 0.000) 17.374 20.339 ( -0.263 -5.855 0.000) 5.861 20.339 ( -0.263 -5.855 0.000) 5.861 20.339 ( 0.263 5.855 -0.000) 5.861 20.339 ( 0.263 5.855 0.000) 5.861 35.851 ( -0.060 -2.606 0.000) 2.606 35.851 ( -0.060 -2.606 -0.000) 2.606 35.851 ( 0.060 2.606 0.000) 2.606 35.851 ( 0.060 2.606 0.000) 2.606 36.283 ( -0.486 -0.387 0.000) 0.621 36.283 ( -0.486 -0.387 0.000) 0.621 36.283 ( 0.486 0.387 0.000) 0.621 36.283 ( 0.486 0.387 0.000) 0.621 37.570 ( -12.492 -0.084 0.000) 12.493 37.570 ( -12.492 -0.084 0.000) 12.493 37.570 ( 12.492 0.084 0.000) 12.493 37.570 ( 12.492 0.084 0.000) 12.493 39.366 ( -0.281 -1.544 0.000) 1.569 39.366 ( -0.281 -1.544 0.000) 1.569 39.366 ( 0.281 1.544 0.000) 1.569 39.366 ( 0.281 1.544 0.000) 1.569 =================== 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 3/16128 10.0 16.427 20.677 9.741 0.000 0.000 -0.000 3/16128 20.0 5.435 6.758 3.432 0.000 0.000 -0.000 3/16128 30.0 3.753 4.457 2.429 0.000 0.000 -0.000 3/16128 40.0 2.906 3.349 1.894 0.000 0.000 -0.000 3/16128 50.0 2.341 2.618 1.519 0.000 0.000 -0.000 3/16128 60.0 1.923 2.090 1.236 0.000 0.000 -0.000 3/16128 70.0 1.606 1.705 1.020 0.000 0.000 -0.000 3/16128 80.0 1.362 1.422 0.856 0.000 0.000 -0.000 3/16128 90.0 1.174 1.212 0.731 0.000 0.000 -0.000 3/16128 100.0 1.028 1.052 0.635 0.000 0.000 -0.000 3/16128 110.0 0.912 0.928 0.560 0.000 0.000 -0.000 3/16128 120.0 0.819 0.830 0.500 0.000 0.000 -0.000 3/16128 130.0 0.743 0.751 0.451 0.000 0.000 -0.000 3/16128 140.0 0.681 0.687 0.412 0.000 0.000 -0.000 3/16128 150.0 0.629 0.634 0.379 0.000 0.000 -0.000 3/16128 160.0 0.586 0.589 0.351 0.000 0.000 -0.000 3/16128 170.0 0.548 0.551 0.327 0.000 0.000 -0.000 3/16128 180.0 0.516 0.518 0.307 0.000 0.000 -0.000 3/16128 190.0 0.488 0.489 0.289 0.000 0.000 -0.000 3/16128 200.0 0.463 0.464 0.273 0.000 0.000 -0.000 3/16128 210.0 0.441 0.442 0.259 0.000 0.000 -0.000 3/16128 220.0 0.422 0.421 0.247 0.000 0.000 -0.000 3/16128 230.0 0.404 0.403 0.235 0.000 0.000 -0.000 3/16128 240.0 0.388 0.387 0.225 0.000 0.000 -0.000 3/16128 250.0 0.373 0.372 0.216 0.000 0.000 -0.000 3/16128 260.0 0.359 0.358 0.208 0.000 0.000 -0.000 3/16128 270.0 0.347 0.345 0.200 0.000 0.000 -0.000 3/16128 280.0 0.335 0.334 0.193 0.000 0.000 -0.000 3/16128 290.0 0.324 0.323 0.186 0.000 0.000 -0.000 3/16128 300.0 0.314 0.313 0.180 0.000 0.000 -0.000 3/16128 310.0 0.305 0.303 0.174 0.000 0.000 -0.000 3/16128 320.0 0.296 0.294 0.169 0.000 0.000 -0.000 3/16128 330.0 0.287 0.286 0.163 0.000 0.000 -0.000 3/16128 340.0 0.279 0.278 0.159 0.000 0.000 -0.000 3/16128 350.0 0.272 0.270 0.154 0.000 0.000 -0.000 3/16128 360.0 0.265 0.263 0.150 0.000 0.000 -0.000 3/16128 370.0 0.258 0.257 0.146 0.000 0.000 -0.000 3/16128 380.0 0.252 0.250 0.142 0.000 0.000 -0.000 3/16128 390.0 0.246 0.244 0.139 0.000 0.000 -0.000 3/16128 400.0 0.240 0.239 0.135 0.000 0.000 -0.000 3/16128 410.0 0.234 0.233 0.132 0.000 0.000 -0.000 3/16128 420.0 0.229 0.228 0.129 0.000 0.000 -0.000 3/16128 430.0 0.224 0.223 0.126 0.000 0.000 -0.000 3/16128 440.0 0.219 0.218 0.123 0.000 0.000 -0.000 3/16128 450.0 0.214 0.214 0.120 0.000 0.000 -0.000 3/16128 460.0 0.210 0.209 0.118 0.000 0.000 -0.000 3/16128 470.0 0.206 0.205 0.115 0.000 0.000 -0.000 3/16128 480.0 0.202 0.201 0.113 0.000 0.000 -0.000 3/16128 490.0 0.198 0.197 0.111 0.000 0.000 -0.000 3/16128 500.0 0.194 0.193 0.108 0.000 0.000 -0.000 3/16128 510.0 0.190 0.190 0.106 0.000 0.000 -0.000 3/16128 520.0 0.187 0.186 0.104 0.000 0.000 -0.000 3/16128 530.0 0.183 0.183 0.102 0.000 0.000 -0.000 3/16128 540.0 0.180 0.180 0.100 0.000 0.000 -0.000 3/16128 550.0 0.177 0.177 0.099 0.000 0.000 -0.000 3/16128 560.0 0.174 0.174 0.097 0.000 0.000 -0.000 3/16128 570.0 0.171 0.171 0.095 0.000 0.000 -0.000 3/16128 580.0 0.168 0.168 0.094 0.000 0.000 -0.000 3/16128 590.0 0.165 0.165 0.092 0.000 0.000 -0.000 3/16128 600.0 0.163 0.163 0.091 0.000 0.000 -0.000 3/16128 610.0 0.160 0.160 0.089 0.000 0.000 -0.000 3/16128 620.0 0.157 0.158 0.088 0.000 0.000 -0.000 3/16128 630.0 0.155 0.155 0.086 0.000 0.000 -0.000 3/16128 640.0 0.153 0.153 0.085 0.000 0.000 -0.000 3/16128 650.0 0.150 0.151 0.084 0.000 0.000 -0.000 3/16128 660.0 0.148 0.148 0.082 0.000 0.000 -0.000 3/16128 670.0 0.146 0.146 0.081 0.000 0.000 -0.000 3/16128 680.0 0.144 0.144 0.080 0.000 0.000 -0.000 3/16128 690.0 0.142 0.142 0.079 0.000 0.000 -0.000 3/16128 700.0 0.140 0.140 0.078 0.000 0.000 -0.000 3/16128 710.0 0.138 0.138 0.077 0.000 0.000 -0.000 3/16128 720.0 0.136 0.136 0.076 0.000 0.000 -0.000 3/16128 730.0 0.134 0.135 0.075 0.000 0.000 -0.000 3/16128 740.0 0.133 0.133 0.074 0.000 0.000 -0.000 3/16128 750.0 0.131 0.131 0.073 0.000 0.000 -0.000 3/16128 760.0 0.129 0.130 0.072 0.000 0.000 -0.000 3/16128 770.0 0.127 0.128 0.071 0.000 0.000 -0.000 3/16128 780.0 0.126 0.126 0.070 0.000 0.000 -0.000 3/16128 790.0 0.124 0.125 0.069 0.000 0.000 -0.000 3/16128 800.0 0.123 0.123 0.068 0.000 0.000 -0.000 3/16128 810.0 0.121 0.122 0.067 0.000 0.000 -0.000 3/16128 820.0 0.120 0.120 0.066 0.000 0.000 -0.000 3/16128 830.0 0.118 0.119 0.066 0.000 0.000 -0.000 3/16128 840.0 0.117 0.118 0.065 0.000 0.000 -0.000 3/16128 850.0 0.116 0.116 0.064 0.000 0.000 -0.000 3/16128 860.0 0.114 0.115 0.063 0.000 0.000 -0.000 3/16128 870.0 0.113 0.114 0.063 0.000 0.000 -0.000 3/16128 880.0 0.112 0.112 0.062 0.000 0.000 -0.000 3/16128 890.0 0.111 0.111 0.061 0.000 0.000 -0.000 3/16128 900.0 0.109 0.110 0.061 0.000 0.000 -0.000 3/16128 910.0 0.108 0.109 0.060 0.000 0.000 -0.000 3/16128 920.0 0.107 0.108 0.059 0.000 0.000 -0.000 3/16128 930.0 0.106 0.107 0.059 0.000 0.000 -0.000 3/16128 940.0 0.105 0.105 0.058 0.000 0.000 -0.000 3/16128 950.0 0.104 0.104 0.057 0.000 0.000 -0.000 3/16128 960.0 0.103 0.103 0.057 0.000 0.000 -0.000 3/16128 970.0 0.102 0.102 0.056 0.000 0.000 -0.000 3/16128 980.0 0.101 0.101 0.056 0.000 0.000 -0.000 3/16128 990.0 0.100 0.100 0.055 0.000 0.000 -0.000 3/16128 1000.0 0.099 0.099 0.055 0.000 0.000 -0.000 3/16128 Thermal conductivity related properties were written into "kappa-m684.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 21:20:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|