----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 04:54:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.803967025043257 -4.863349739999999 0.000000000000000 b 2.803967025043257 4.863349739999999 0.000000000000000 c -1.920107028566910 0.000000000000000 10.919081955652992 Atomic positions (fractional): *1 Na 0.08516294268007 0.91483705731993 0.75000000000000 22.990 2 Na 0.91483705731993 0.08516294268007 0.25000000000000 22.990 *3 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 4 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 *5 Na 0.68274895664074 0.84117617265375 0.50025780558982 22.990 6 Na 0.15882382734625 0.31725104335926 0.99974219441018 22.990 7 Na 0.31725104335926 0.15882382734625 0.49974219441018 22.990 8 Na 0.84117617265375 0.68274895664074 0.00025780558982 22.990 *9 Zr 0.41831785914076 0.58168214085924 0.75000000000000 91.224 10 Zr 0.58168214085924 0.41831785914076 0.25000000000000 91.224 *11 Zr 0.24930787962882 0.75069212037118 0.25000000000000 91.224 12 Zr 0.75069212037118 0.24930787962882 0.75000000000000 91.224 *13 O 0.50843249901744 0.67851093280872 0.14481011839039 15.999 14 O 0.32148906719128 0.49156750098256 0.35518988160961 15.999 15 O 0.49156750098256 0.32148906719128 0.85518988160961 15.999 16 O 0.67851093280872 0.50843249901744 0.64481011839039 15.999 *17 O 0.42108063367674 0.87914020589367 0.64509675353447 15.999 18 O 0.12085979410633 0.57891936632326 0.85490324646553 15.999 19 O 0.57891936632326 0.12085979410633 0.35490324646553 15.999 20 O 0.87914020589367 0.42108063367675 0.14509675353447 15.999 *21 O 0.75128985086646 0.95140246514413 0.85689608828407 15.999 22 O 0.04859753485587 0.24871014913354 0.64310391171593 15.999 23 O 0.24871014913354 0.04859753485587 0.14310391171593 15.999 24 O 0.95140246514413 0.75128985086646 0.35689608828407 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.607934050086514 0.000000000000000 0.000000000000000 b 0.000000000000000 9.726699479999999 0.000000000000000 c -1.920107028566910 0.000000000000000 10.919081955652992 Atomic positions (fractional): *1 Na 0.50000000000000 0.41483705731993 0.75000000000000 22.990 > 1 2 Na 0.00000000000000 0.08516294268007 0.25000000000000 22.990 > 2 *3 Na 0.75000000000000 0.25000000000000 0.00000000000000 22.990 > 3 4 Na 0.25000000000000 0.25000000000000 0.50000000000000 22.990 > 4 *5 Na 0.76196256464725 0.07921360800650 0.50025780558982 22.990 > 5 6 Na 0.23803743535275 0.07921360800650 0.99974219441018 22.990 > 6 7 Na 0.73803743535275 0.42078639199350 0.49974219441018 22.990 > 7 8 Na 0.26196256464725 0.42078639199350 0.00025780558982 22.990 > 8 9 Na 0.00000000000000 0.91483705731993 0.75000000000000 22.990 > 1 10 Na 0.50000000000000 0.58516294268007 0.25000000000000 22.990 > 2 11 Na 0.25000000000000 0.75000000000000 0.00000000000000 22.990 > 3 12 Na 0.75000000000000 0.75000000000000 0.50000000000000 22.990 > 4 13 Na 0.26196256464725 0.57921360800650 0.50025780558982 22.990 > 5 14 Na 0.73803743535275 0.57921360800650 0.99974219441018 22.990 > 6 15 Na 0.23803743535275 0.92078639199350 0.49974219441018 22.990 > 7 16 Na 0.76196256464725 0.92078639199350 0.00025780558982 22.990 > 8 *17 Zr 0.50000000000000 0.08168214085924 0.75000000000000 91.224 > 9 18 Zr 0.00000000000000 0.41831785914076 0.25000000000000 91.224 > 10 *19 Zr 0.50000000000000 0.25069212037118 0.25000000000000 91.224 > 11 20 Zr 0.00000000000000 0.24930787962882 0.75000000000000 91.224 > 12 21 Zr 0.00000000000000 0.58168214085924 0.75000000000000 91.224 > 9 22 Zr 0.50000000000000 0.91831785914076 0.25000000000000 91.224 > 10 23 Zr 0.00000000000000 0.75069212037118 0.25000000000000 91.224 > 11 24 Zr 0.50000000000000 0.74930787962882 0.75000000000000 91.224 > 12 *25 O 0.59347171591308 0.08503921689564 0.14481011839039 15.999 > 13 26 O 0.40652828408692 0.08503921689564 0.35518988160961 15.999 > 14 27 O 0.90652828408692 0.41496078310436 0.85518988160961 15.999 > 15 28 O 0.09347171591308 0.41496078310436 0.64481011839039 15.999 > 16 *29 O 0.65011041978521 0.22902978610846 0.64509675353447 15.999 > 17 30 O 0.34988958021479 0.22902978610846 0.85490324646553 15.999 > 18 31 O 0.84988958021479 0.27097021389154 0.35490324646553 15.999 > 19 32 O 0.15011041978521 0.27097021389154 0.14509675353447 15.999 > 20 *33 O 0.85134615800530 0.10005630713884 0.85689608828407 15.999 > 21 34 O 0.14865384199470 0.10005630713884 0.64310391171593 15.999 > 22 35 O 0.64865384199470 0.39994369286116 0.14310391171593 15.999 > 23 36 O 0.35134615800530 0.39994369286116 0.35689608828407 15.999 > 24 37 O 0.09347171591308 0.58503921689564 0.14481011839039 15.999 > 13 38 O 0.90652828408692 0.58503921689564 0.35518988160961 15.999 > 14 39 O 0.40652828408692 0.91496078310436 0.85518988160961 15.999 > 15 40 O 0.59347171591308 0.91496078310436 0.64481011839039 15.999 > 16 41 O 0.15011041978521 0.72902978610846 0.64509675353447 15.999 > 17 42 O 0.84988958021479 0.72902978610846 0.85490324646553 15.999 > 18 43 O 0.34988958021479 0.77097021389154 0.35490324646553 15.999 > 19 44 O 0.65011041978521 0.77097021389154 0.14509675353447 15.999 > 20 45 O 0.35134615800530 0.60005630713884 0.85689608828407 15.999 > 21 46 O 0.64865384199470 0.60005630713884 0.64310391171593 15.999 > 22 47 O 0.14865384199470 0.89994369286116 0.14310391171593 15.999 > 23 48 O 0.85134615800530 0.89994369286116 0.35689608828407 15.999 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.215868100173028 0.000000000000000 0.000000000000000 b 0.000000000000000 9.726699479999999 0.000000000000000 c -1.920107028566910 0.000000000000000 10.919081955652992 Atomic positions (fractional): *1 Na 0.25000000000000 0.41483705731993 0.75000000000000 22.990 > 1 2 Na 0.75000000000000 0.41483705731993 0.75000000000000 22.990 > 1 3 Na 0.00000000000000 0.08516294268007 0.25000000000000 22.990 > 2 4 Na 0.50000000000000 0.08516294268007 0.25000000000000 22.990 > 2 *5 Na 0.37500000000000 0.25000000000000 0.00000000000000 22.990 > 3 6 Na 0.87500000000000 0.25000000000000 0.00000000000000 22.990 > 3 7 Na 0.12500000000000 0.25000000000000 0.50000000000000 22.990 > 4 8 Na 0.62500000000000 0.25000000000000 0.50000000000000 22.990 > 4 *9 Na 0.38098128232362 0.07921360800650 0.50025780558982 22.990 > 5 10 Na 0.88098128232362 0.07921360800650 0.50025780558982 22.990 > 5 11 Na 0.11901871767638 0.07921360800650 0.99974219441018 22.990 > 6 12 Na 0.61901871767638 0.07921360800650 0.99974219441018 22.990 > 6 13 Na 0.36901871767638 0.42078639199350 0.49974219441018 22.990 > 7 14 Na 0.86901871767638 0.42078639199350 0.49974219441018 22.990 > 7 15 Na 0.13098128232362 0.42078639199350 0.00025780558982 22.990 > 8 16 Na 0.63098128232362 0.42078639199350 0.00025780558982 22.990 > 8 17 Na 0.00000000000000 0.91483705731993 0.75000000000000 22.990 > 1 18 Na 0.50000000000000 0.91483705731993 0.75000000000000 22.990 > 1 19 Na 0.25000000000000 0.58516294268007 0.25000000000000 22.990 > 2 20 Na 0.75000000000000 0.58516294268007 0.25000000000000 22.990 > 2 21 Na 0.12500000000000 0.75000000000000 0.00000000000000 22.990 > 3 22 Na 0.62500000000000 0.75000000000000 0.00000000000000 22.990 > 3 23 Na 0.37500000000000 0.75000000000000 0.50000000000000 22.990 > 4 24 Na 0.87500000000000 0.75000000000000 0.50000000000000 22.990 > 4 25 Na 0.13098128232362 0.57921360800650 0.50025780558982 22.990 > 5 26 Na 0.63098128232362 0.57921360800650 0.50025780558982 22.990 > 5 27 Na 0.36901871767638 0.57921360800650 0.99974219441018 22.990 > 6 28 Na 0.86901871767638 0.57921360800650 0.99974219441018 22.990 > 6 29 Na 0.11901871767638 0.92078639199350 0.49974219441018 22.990 > 7 30 Na 0.61901871767638 0.92078639199350 0.49974219441018 22.990 > 7 31 Na 0.38098128232362 0.92078639199350 0.00025780558982 22.990 > 8 32 Na 0.88098128232362 0.92078639199350 0.00025780558982 22.990 > 8 *33 Zr 0.25000000000000 0.08168214085924 0.75000000000000 91.224 > 9 34 Zr 0.75000000000000 0.08168214085924 0.75000000000000 91.224 > 9 35 Zr 0.00000000000000 0.41831785914076 0.25000000000000 91.224 > 10 36 Zr 0.50000000000000 0.41831785914076 0.25000000000000 91.224 > 10 *37 Zr 0.25000000000000 0.25069212037118 0.25000000000000 91.224 > 11 38 Zr 0.75000000000000 0.25069212037118 0.25000000000000 91.224 > 11 39 Zr 0.00000000000000 0.24930787962882 0.75000000000000 91.224 > 12 40 Zr 0.50000000000000 0.24930787962882 0.75000000000000 91.224 > 12 41 Zr 0.00000000000000 0.58168214085924 0.75000000000000 91.224 > 9 42 Zr 0.50000000000000 0.58168214085924 0.75000000000000 91.224 > 9 43 Zr 0.25000000000000 0.91831785914076 0.25000000000000 91.224 > 10 44 Zr 0.75000000000000 0.91831785914076 0.25000000000000 91.224 > 10 45 Zr 0.00000000000000 0.75069212037118 0.25000000000000 91.224 > 11 46 Zr 0.50000000000000 0.75069212037118 0.25000000000000 91.224 > 11 47 Zr 0.25000000000000 0.74930787962882 0.75000000000000 91.224 > 12 48 Zr 0.75000000000000 0.74930787962882 0.75000000000000 91.224 > 12 *49 O 0.29673585795654 0.08503921689564 0.14481011839039 15.999 > 13 50 O 0.79673585795654 0.08503921689564 0.14481011839039 15.999 > 13 51 O 0.20326414204346 0.08503921689564 0.35518988160961 15.999 > 14 52 O 0.70326414204346 0.08503921689564 0.35518988160961 15.999 > 14 53 O 0.45326414204346 0.41496078310436 0.85518988160961 15.999 > 15 54 O 0.95326414204346 0.41496078310436 0.85518988160961 15.999 > 15 55 O 0.04673585795654 0.41496078310436 0.64481011839039 15.999 > 16 56 O 0.54673585795654 0.41496078310436 0.64481011839039 15.999 > 16 *57 O 0.32505520989260 0.22902978610846 0.64509675353447 15.999 > 17 58 O 0.82505520989260 0.22902978610846 0.64509675353447 15.999 > 17 59 O 0.17494479010740 0.22902978610846 0.85490324646553 15.999 > 18 60 O 0.67494479010740 0.22902978610846 0.85490324646553 15.999 > 18 61 O 0.42494479010740 0.27097021389154 0.35490324646553 15.999 > 19 62 O 0.92494479010740 0.27097021389154 0.35490324646553 15.999 > 19 63 O 0.07505520989260 0.27097021389154 0.14509675353447 15.999 > 20 64 O 0.57505520989260 0.27097021389154 0.14509675353447 15.999 > 20 *65 O 0.42567307900265 0.10005630713884 0.85689608828407 15.999 > 21 66 O 0.92567307900265 0.10005630713884 0.85689608828407 15.999 > 21 67 O 0.07432692099735 0.10005630713884 0.64310391171593 15.999 > 22 68 O 0.57432692099735 0.10005630713884 0.64310391171593 15.999 > 22 69 O 0.32432692099735 0.39994369286116 0.14310391171593 15.999 > 23 70 O 0.82432692099735 0.39994369286116 0.14310391171593 15.999 > 23 71 O 0.17567307900265 0.39994369286116 0.35689608828407 15.999 > 24 72 O 0.67567307900265 0.39994369286116 0.35689608828407 15.999 > 24 73 O 0.04673585795654 0.58503921689564 0.14481011839039 15.999 > 13 74 O 0.54673585795654 0.58503921689564 0.14481011839039 15.999 > 13 75 O 0.45326414204346 0.58503921689564 0.35518988160961 15.999 > 14 76 O 0.95326414204346 0.58503921689564 0.35518988160961 15.999 > 14 77 O 0.20326414204346 0.91496078310436 0.85518988160961 15.999 > 15 78 O 0.70326414204346 0.91496078310436 0.85518988160961 15.999 > 15 79 O 0.29673585795654 0.91496078310436 0.64481011839039 15.999 > 16 80 O 0.79673585795654 0.91496078310436 0.64481011839039 15.999 > 16 81 O 0.07505520989260 0.72902978610846 0.64509675353447 15.999 > 17 82 O 0.57505520989260 0.72902978610846 0.64509675353447 15.999 > 17 83 O 0.42494479010740 0.72902978610846 0.85490324646553 15.999 > 18 84 O 0.92494479010740 0.72902978610846 0.85490324646553 15.999 > 18 85 O 0.17494479010740 0.77097021389154 0.35490324646553 15.999 > 19 86 O 0.67494479010740 0.77097021389154 0.35490324646553 15.999 > 19 87 O 0.32505520989260 0.77097021389154 0.14509675353447 15.999 > 20 88 O 0.82505520989260 0.77097021389154 0.14509675353447 15.999 > 20 89 O 0.17567307900265 0.60005630713884 0.85689608828407 15.999 > 21 90 O 0.67567307900265 0.60005630713884 0.85689608828407 15.999 > 21 91 O 0.32432692099735 0.60005630713884 0.64310391171593 15.999 > 22 92 O 0.82432692099735 0.60005630713884 0.64310391171593 15.999 > 22 93 O 0.07432692099735 0.89994369286116 0.14310391171593 15.999 > 23 94 O 0.57432692099735 0.89994369286116 0.14310391171593 15.999 > 23 95 O 0.42567307900265 0.89994369286116 0.35689608828407 15.999 > 24 96 O 0.92567307900265 0.89994369286116 0.35689608828407 15.999 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8746553 0.0000000 0.0029148 0.0000000 3.8964840 0.0000000 0.0029122 0.0000000 3.1086138 -------------------------- Born effective charges -------------------------- 1 Na 1.1247144 0.0000000 0.0048159 0.0000000 1.1213213 0.0000000 -0.0020699 0.0000000 0.5958828 2 Na 1.1247144 0.0000000 0.0048159 0.0000000 1.1213213 0.0000000 -0.0020699 0.0000000 0.5958828 3 Na 1.0534359 0.1340446 0.0033331 0.1310453 0.9014696 -0.0029208 -0.0109490 0.0188665 1.3980119 4 Na 1.0534359 -0.1340446 0.0033331 -0.1310453 0.9014696 0.0029208 -0.0109490 -0.0188665 1.3980119 5 Na 0.9424550 0.0670449 -0.0002272 0.0653236 1.0180228 -0.0031040 0.0061183 0.0107285 1.4018511 6 Na 0.9424550 -0.0670449 -0.0002272 -0.0653236 1.0180228 0.0031040 0.0061183 -0.0107285 1.4018511 7 Na 0.9424550 0.0670449 -0.0002272 0.0653236 1.0180228 -0.0031040 0.0061183 0.0107285 1.4018511 8 Na 0.9424550 -0.0670449 -0.0002272 -0.0653236 1.0180228 0.0031040 0.0061183 -0.0107285 1.4018511 9 Zr 5.3977792 0.0000000 -0.0600807 0.0000000 5.4727262 0.0000000 0.0282399 0.0000000 2.9631832 10 Zr 5.3977792 0.0000000 -0.0600807 0.0000000 5.4727262 0.0000000 0.0282399 0.0000000 2.9631832 11 Zr 5.4181287 0.0000000 0.0648268 0.0000000 5.4475028 0.0000000 -0.0056281 0.0000000 2.9605265 12 Zr 5.4181287 0.0000000 0.0648268 0.0000000 5.4475028 0.0000000 -0.0056281 0.0000000 2.9605265 13 O -1.6143685 0.0143409 0.4405015 -0.0079576 -3.3635936 -0.0113273 0.3719625 -0.0078634 -1.7796027 14 O -1.6143685 -0.0143409 0.4405015 0.0079576 -3.3635936 0.0113273 0.3719625 0.0078634 -1.7796027 15 O -1.6143685 0.0143409 0.4405015 -0.0079576 -3.3635936 -0.0113273 0.3719625 -0.0078634 -1.7796027 16 O -1.6143685 -0.0143409 0.4405015 0.0079576 -3.3635936 0.0113273 0.3719625 0.0078634 -1.7796027 17 O -2.9401240 -0.7618915 -0.2166858 -0.7928663 -2.0635128 0.3797511 -0.1871467 0.3176202 -1.7789661 18 O -2.9401240 0.7618915 -0.2166858 0.7928663 -2.0635128 -0.3797511 -0.1871467 -0.3176202 -1.7789661 19 O -2.9401240 -0.7618915 -0.2166858 -0.7928663 -2.0635128 0.3797511 -0.1871467 0.3176202 -1.7789661 20 O -2.9401240 0.7618915 -0.2166858 0.7928663 -2.0635128 -0.3797511 -0.1871467 -0.3176202 -1.7789661 21 O -2.8849916 -0.7181235 -0.2300361 -0.7264132 -2.0624263 0.3793321 -0.1957305 0.3170516 -1.8020844 22 O -2.8849916 0.7181235 -0.2300361 0.7264132 -2.0624263 -0.3793321 -0.1957305 -0.3170516 -1.8020844 23 O -2.8849916 -0.7181235 -0.2300361 -0.7264132 -2.0624263 0.3793321 -0.1957305 0.3170516 -1.8020844 24 O -2.8849916 0.7181235 -0.2300361 0.7264132 -2.0624263 -0.3793321 -0.1957305 -0.3170516 -1.8020844 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 288/288 Permutation basis: 12456/12456 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2718 Number of blocks in projector: 2718 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: 596 Use submatrix version of eigh solver. (1) Block: 596 / 596 (2) Block: 250 / 596 (2) 235 eigenvectors found. (2) Block: 500 / 596 (2) 239 eigenvectors found. (2) Block: 596 / 596 (2) 91 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 581 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 240 eigenvectors found. (2) Block: 500 / 560 (2) 242 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 550 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 240 eigenvectors found. (2) Block: 500 / 560 (2) 242 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 550 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 334 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 334 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 334 Use standard eigh solver. Tree of FC basis block matrices: - (2718, 2659), data: False |-- (334, 326), data: True |-- (334, 326), data: True |-- (334, 326), data: True |-- (560, 550), data: False |-- (560, 550), data: False |-- (560, 16), data: (560, 26) @ (26, 16) |-- (60, 52), data: True |-- (250, 242), data: True |-- (250, 240), data: True |-- (560, 550), data: False |-- (560, 550), data: False |-- (560, 16), data: (560, 26) @ (26, 16) |-- (60, 52), data: True |-- (250, 242), data: True |-- (250, 240), data: True |-- (596, 581), data: False |-- (596, 581), data: False |-- (596, 16), data: (596, 31) @ (31, 16) |-- (96, 91), data: True |-- (250, 239), data: True |-- (250, 235), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 720 - Time: 0.687 Solver_block: 200 / 720 - Time: 0.614 Solver_block: 300 / 720 - Time: 0.615 Solver_block: 400 / 720 - Time: 0.607 Solver_block: 500 / 720 - Time: 0.607 Solver_block: 600 / 720 - Time: 0.603 Solver_block: 700 / 720 - Time: 0.610 Solver_block: 720 / 720 - Time: 0.226 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.676 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 288/288 Permutation basis: 12456/12456 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2718 Number of blocks in projector: 2718 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: 596 Use submatrix version of eigh solver. (1) Block: 596 / 596 (2) Block: 250 / 596 (2) 235 eigenvectors found. (2) Block: 500 / 596 (2) 239 eigenvectors found. (2) Block: 596 / 596 (2) 91 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 581 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 240 eigenvectors found. (2) Block: 500 / 560 (2) 242 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 550 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 240 eigenvectors found. (2) Block: 500 / 560 (2) 242 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 550 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 334 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 334 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 334 Use standard eigh solver. Tree of FC basis block matrices: - (2718, 2659), data: False |-- (334, 326), data: True |-- (334, 326), data: True |-- (334, 326), data: True |-- (560, 550), data: False |-- (560, 550), data: False |-- (560, 16), data: (560, 26) @ (26, 16) |-- (60, 52), data: True |-- (250, 242), data: True |-- (250, 240), data: True |-- (560, 550), data: False |-- (560, 550), data: False |-- (560, 16), data: (560, 26) @ (26, 16) |-- (60, 52), data: True |-- (250, 242), data: True |-- (250, 240), data: True |-- (596, 581), data: False |-- (596, 581), data: False |-- (596, 16), data: (596, 31) @ (31, 16) |-- (96, 91), data: True |-- (250, 239), data: True |-- (250, 235), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 04:54:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 04:54:35]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.803967025043257 -4.863349739999999 0.000000000000000 b 2.803967025043257 4.863349739999999 0.000000000000000 c -1.920107028566910 0.000000000000000 10.919081955652992 Atomic positions (fractional): 1 Na 0.08516294268007 0.91483705731993 0.75000000000000 22.990 2 Na 0.91483705731993 0.08516294268007 0.25000000000000 22.990 3 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 4 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 5 Na 0.68274895664074 0.84117617265375 0.50025780558982 22.990 6 Na 0.15882382734625 0.31725104335926 0.99974219441018 22.990 7 Na 0.31725104335926 0.15882382734625 0.49974219441018 22.990 8 Na 0.84117617265375 0.68274895664074 0.00025780558982 22.990 9 Zr 0.41831785914076 0.58168214085924 0.75000000000000 91.224 10 Zr 0.58168214085924 0.41831785914076 0.25000000000000 91.224 11 Zr 0.24930787962882 0.75069212037118 0.25000000000000 91.224 12 Zr 0.75069212037118 0.24930787962882 0.75000000000000 91.224 13 O 0.50843249901744 0.67851093280872 0.14481011839039 15.999 14 O 0.32148906719128 0.49156750098256 0.35518988160961 15.999 15 O 0.49156750098256 0.32148906719128 0.85518988160961 15.999 16 O 0.67851093280872 0.50843249901744 0.64481011839039 15.999 17 O 0.42108063367674 0.87914020589367 0.64509675353447 15.999 18 O 0.12085979410633 0.57891936632326 0.85490324646553 15.999 19 O 0.57891936632326 0.12085979410633 0.35490324646553 15.999 20 O 0.87914020589367 0.42108063367675 0.14509675353447 15.999 21 O 0.75128985086646 0.95140246514413 0.85689608828407 15.999 22 O 0.04859753485587 0.24871014913354 0.64310391171593 15.999 23 O 0.24871014913354 0.04859753485587 0.14310391171593 15.999 24 O 0.95140246514413 0.75128985086646 0.35689608828407 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.215868100173028 0.000000000000000 0.000000000000000 b 0.000000000000000 9.726699479999999 0.000000000000000 c -1.920107028566910 0.000000000000000 10.919081955652992 Atomic positions (fractional): 1 Na 0.25000000000000 0.41483705731993 0.75000000000000 22.990 > 1 2 Na 0.75000000000000 0.41483705731993 0.75000000000000 22.990 > 1 3 Na 0.00000000000000 0.08516294268007 0.25000000000000 22.990 > 3 4 Na 0.50000000000000 0.08516294268007 0.25000000000000 22.990 > 3 5 Na 0.37500000000000 0.25000000000000 0.00000000000000 22.990 > 5 6 Na 0.87500000000000 0.25000000000000 0.00000000000000 22.990 > 5 7 Na 0.12500000000000 0.25000000000000 0.50000000000000 22.990 > 7 8 Na 0.62500000000000 0.25000000000000 0.50000000000000 22.990 > 7 9 Na 0.38098128232362 0.07921360800650 0.50025780558982 22.990 > 9 10 Na 0.88098128232362 0.07921360800650 0.50025780558982 22.990 > 9 11 Na 0.11901871767638 0.07921360800650 0.99974219441018 22.990 > 11 12 Na 0.61901871767638 0.07921360800650 0.99974219441018 22.990 > 11 13 Na 0.36901871767638 0.42078639199350 0.49974219441018 22.990 > 13 14 Na 0.86901871767638 0.42078639199350 0.49974219441018 22.990 > 13 15 Na 0.13098128232362 0.42078639199350 0.00025780558982 22.990 > 15 16 Na 0.63098128232362 0.42078639199350 0.00025780558982 22.990 > 15 17 Na 0.00000000000000 0.91483705731993 0.75000000000000 22.990 > 1 18 Na 0.50000000000000 0.91483705731993 0.75000000000000 22.990 > 1 19 Na 0.25000000000000 0.58516294268007 0.25000000000000 22.990 > 3 20 Na 0.75000000000000 0.58516294268007 0.25000000000000 22.990 > 3 21 Na 0.12500000000000 0.75000000000000 0.00000000000000 22.990 > 5 22 Na 0.62500000000000 0.75000000000000 0.00000000000000 22.990 > 5 23 Na 0.37500000000000 0.75000000000000 0.50000000000000 22.990 > 7 24 Na 0.87500000000000 0.75000000000000 0.50000000000000 22.990 > 7 25 Na 0.13098128232362 0.57921360800650 0.50025780558982 22.990 > 9 26 Na 0.63098128232362 0.57921360800650 0.50025780558982 22.990 > 9 27 Na 0.36901871767638 0.57921360800650 0.99974219441018 22.990 > 11 28 Na 0.86901871767638 0.57921360800650 0.99974219441018 22.990 > 11 29 Na 0.11901871767638 0.92078639199350 0.49974219441018 22.990 > 13 30 Na 0.61901871767638 0.92078639199350 0.49974219441018 22.990 > 13 31 Na 0.38098128232362 0.92078639199350 0.00025780558982 22.990 > 15 32 Na 0.88098128232362 0.92078639199350 0.00025780558982 22.990 > 15 33 Zr 0.25000000000000 0.08168214085924 0.75000000000000 91.224 > 33 34 Zr 0.75000000000000 0.08168214085924 0.75000000000000 91.224 > 33 35 Zr 0.00000000000000 0.41831785914076 0.25000000000000 91.224 > 35 36 Zr 0.50000000000000 0.41831785914076 0.25000000000000 91.224 > 35 37 Zr 0.25000000000000 0.25069212037118 0.25000000000000 91.224 > 37 38 Zr 0.75000000000000 0.25069212037118 0.25000000000000 91.224 > 37 39 Zr 0.00000000000000 0.24930787962882 0.75000000000000 91.224 > 39 40 Zr 0.50000000000000 0.24930787962882 0.75000000000000 91.224 > 39 41 Zr 0.00000000000000 0.58168214085924 0.75000000000000 91.224 > 33 42 Zr 0.50000000000000 0.58168214085924 0.75000000000000 91.224 > 33 43 Zr 0.25000000000000 0.91831785914076 0.25000000000000 91.224 > 35 44 Zr 0.75000000000000 0.91831785914076 0.25000000000000 91.224 > 35 45 Zr 0.00000000000000 0.75069212037118 0.25000000000000 91.224 > 37 46 Zr 0.50000000000000 0.75069212037118 0.25000000000000 91.224 > 37 47 Zr 0.25000000000000 0.74930787962882 0.75000000000000 91.224 > 39 48 Zr 0.75000000000000 0.74930787962882 0.75000000000000 91.224 > 39 49 O 0.29673585795654 0.08503921689564 0.14481011839039 15.999 > 49 50 O 0.79673585795654 0.08503921689564 0.14481011839039 15.999 > 49 51 O 0.20326414204346 0.08503921689564 0.35518988160961 15.999 > 51 52 O 0.70326414204346 0.08503921689564 0.35518988160961 15.999 > 51 53 O 0.45326414204346 0.41496078310436 0.85518988160961 15.999 > 53 54 O 0.95326414204346 0.41496078310436 0.85518988160961 15.999 > 53 55 O 0.04673585795654 0.41496078310436 0.64481011839039 15.999 > 55 56 O 0.54673585795654 0.41496078310436 0.64481011839039 15.999 > 55 57 O 0.32505520989260 0.22902978610846 0.64509675353447 15.999 > 57 58 O 0.82505520989260 0.22902978610846 0.64509675353447 15.999 > 57 59 O 0.17494479010740 0.22902978610846 0.85490324646553 15.999 > 59 60 O 0.67494479010740 0.22902978610846 0.85490324646553 15.999 > 59 61 O 0.42494479010740 0.27097021389154 0.35490324646553 15.999 > 61 62 O 0.92494479010740 0.27097021389154 0.35490324646553 15.999 > 61 63 O 0.07505520989260 0.27097021389154 0.14509675353447 15.999 > 63 64 O 0.57505520989260 0.27097021389154 0.14509675353447 15.999 > 63 65 O 0.42567307900265 0.10005630713884 0.85689608828407 15.999 > 65 66 O 0.92567307900265 0.10005630713884 0.85689608828407 15.999 > 65 67 O 0.07432692099735 0.10005630713884 0.64310391171593 15.999 > 67 68 O 0.57432692099735 0.10005630713884 0.64310391171593 15.999 > 67 69 O 0.32432692099735 0.39994369286116 0.14310391171593 15.999 > 69 70 O 0.82432692099735 0.39994369286116 0.14310391171593 15.999 > 69 71 O 0.17567307900265 0.39994369286116 0.35689608828407 15.999 > 71 72 O 0.67567307900265 0.39994369286116 0.35689608828407 15.999 > 71 73 O 0.04673585795654 0.58503921689564 0.14481011839039 15.999 > 49 74 O 0.54673585795654 0.58503921689564 0.14481011839039 15.999 > 49 75 O 0.45326414204346 0.58503921689564 0.35518988160961 15.999 > 51 76 O 0.95326414204346 0.58503921689564 0.35518988160961 15.999 > 51 77 O 0.20326414204346 0.91496078310436 0.85518988160961 15.999 > 53 78 O 0.70326414204346 0.91496078310436 0.85518988160961 15.999 > 53 79 O 0.29673585795654 0.91496078310436 0.64481011839039 15.999 > 55 80 O 0.79673585795654 0.91496078310436 0.64481011839039 15.999 > 55 81 O 0.07505520989260 0.72902978610846 0.64509675353447 15.999 > 57 82 O 0.57505520989260 0.72902978610846 0.64509675353447 15.999 > 57 83 O 0.42494479010740 0.72902978610846 0.85490324646553 15.999 > 59 84 O 0.92494479010740 0.72902978610846 0.85490324646553 15.999 > 59 85 O 0.17494479010740 0.77097021389154 0.35490324646553 15.999 > 61 86 O 0.67494479010740 0.77097021389154 0.35490324646553 15.999 > 61 87 O 0.32505520989260 0.77097021389154 0.14509675353447 15.999 > 63 88 O 0.82505520989260 0.77097021389154 0.14509675353447 15.999 > 63 89 O 0.17567307900265 0.60005630713884 0.85689608828407 15.999 > 65 90 O 0.67567307900265 0.60005630713884 0.85689608828407 15.999 > 65 91 O 0.32432692099735 0.60005630713884 0.64310391171593 15.999 > 67 92 O 0.82432692099735 0.60005630713884 0.64310391171593 15.999 > 67 93 O 0.07432692099735 0.89994369286116 0.14310391171593 15.999 > 69 94 O 0.57432692099735 0.89994369286116 0.14310391171593 15.999 > 69 95 O 0.42567307900265 0.89994369286116 0.35689608828407 15.999 > 71 96 O 0.92567307900265 0.89994369286116 0.35689608828407 15.999 > 71 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8746553 0.0000000 0.0029148 0.0000000 3.8964840 0.0000000 0.0029122 0.0000000 3.1086138 -------------------------- Born effective charges -------------------------- 1 Na 1.1247144 0.0000000 0.0048159 0.0000000 1.1213213 0.0000000 -0.0020699 0.0000000 0.5958828 2 Na 1.1247144 0.0000000 0.0048159 0.0000000 1.1213213 0.0000000 -0.0020699 0.0000000 0.5958828 3 Na 1.0534359 0.1340446 0.0033331 0.1310453 0.9014696 -0.0029208 -0.0109490 0.0188665 1.3980119 4 Na 1.0534359 -0.1340446 0.0033331 -0.1310453 0.9014696 0.0029208 -0.0109490 -0.0188665 1.3980119 5 Na 0.9424550 0.0670449 -0.0002272 0.0653236 1.0180228 -0.0031040 0.0061183 0.0107285 1.4018511 6 Na 0.9424550 -0.0670449 -0.0002272 -0.0653236 1.0180228 0.0031040 0.0061183 -0.0107285 1.4018511 7 Na 0.9424550 0.0670449 -0.0002272 0.0653236 1.0180228 -0.0031040 0.0061183 0.0107285 1.4018511 8 Na 0.9424550 -0.0670449 -0.0002272 -0.0653236 1.0180228 0.0031040 0.0061183 -0.0107285 1.4018511 9 Zr 5.3977792 0.0000000 -0.0600807 0.0000000 5.4727262 0.0000000 0.0282399 0.0000000 2.9631832 10 Zr 5.3977792 0.0000000 -0.0600807 0.0000000 5.4727262 0.0000000 0.0282399 0.0000000 2.9631832 11 Zr 5.4181287 0.0000000 0.0648268 0.0000000 5.4475028 0.0000000 -0.0056281 0.0000000 2.9605265 12 Zr 5.4181287 0.0000000 0.0648268 0.0000000 5.4475028 0.0000000 -0.0056281 0.0000000 2.9605265 13 O -1.6143685 0.0143409 0.4405015 -0.0079576 -3.3635936 -0.0113273 0.3719625 -0.0078634 -1.7796027 14 O -1.6143685 -0.0143409 0.4405015 0.0079576 -3.3635936 0.0113273 0.3719625 0.0078634 -1.7796027 15 O -1.6143685 0.0143409 0.4405015 -0.0079576 -3.3635936 -0.0113273 0.3719625 -0.0078634 -1.7796027 16 O -1.6143685 -0.0143409 0.4405015 0.0079576 -3.3635936 0.0113273 0.3719625 0.0078634 -1.7796027 17 O -2.9401240 -0.7618915 -0.2166858 -0.7928663 -2.0635128 0.3797511 -0.1871467 0.3176202 -1.7789661 18 O -2.9401240 0.7618915 -0.2166858 0.7928663 -2.0635128 -0.3797511 -0.1871467 -0.3176202 -1.7789661 19 O -2.9401240 -0.7618915 -0.2166858 -0.7928663 -2.0635128 0.3797511 -0.1871467 0.3176202 -1.7789661 20 O -2.9401240 0.7618915 -0.2166858 0.7928663 -2.0635128 -0.3797511 -0.1871467 -0.3176202 -1.7789661 21 O -2.8849916 -0.7181235 -0.2300361 -0.7264132 -2.0624263 0.3793321 -0.1957305 0.3170516 -1.8020844 22 O -2.8849916 0.7181235 -0.2300361 0.7264132 -2.0624263 -0.3793321 -0.1957305 -0.3170516 -1.8020844 23 O -2.8849916 -0.7181235 -0.2300361 -0.7264132 -2.0624263 0.3793321 -0.1957305 0.3170516 -1.8020844 24 O -2.8849916 0.7181235 -0.2300361 0.7264132 -2.0624263 -0.3793321 -0.1957305 -0.3170516 -1.8020844 ---------------------------------------------------------------------------- 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] [-0.0017 0.0000 0.0098] [ 0.0017 0.0000 -0.0098] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0017 0.0000 0.0098] [ 0.0017 0.0000 -0.0098] Computing fc3[ 9, 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] [-0.0017 0.0000 0.0098] [ 0.0017 0.0000 -0.0098] 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] [-0.0017 0.0000 0.0098] [ 0.0017 0.0000 -0.0098] Computing fc3[ 37, 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] [-0.0017 0.0000 0.0098] [ 0.0017 0.0000 -0.0098] 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] [-0.0017 0.0000 0.0098] [ 0.0017 0.0000 -0.0098] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0017 0.0000 0.0098] [ 0.0017 0.0000 -0.0098] 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] [-0.0017 0.0000 0.0098] [ 0.0017 0.0000 -0.0098] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (xyx) 0.00000001 (xyx) 0.00000001 (xxy) 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 2026-01-09 04:55:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 04:55:01]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.803967025043257 -4.863349739999999 0.000000000000000 b 2.803967025043257 4.863349739999999 0.000000000000000 c -1.920107028566910 0.000000000000000 10.919081955652992 Atomic positions (fractional): 1 Na 0.08516294268007 0.91483705731993 0.75000000000000 22.990 2 Na 0.91483705731993 0.08516294268007 0.25000000000000 22.990 3 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 4 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 5 Na 0.68274895664074 0.84117617265375 0.50025780558982 22.990 6 Na 0.15882382734625 0.31725104335926 0.99974219441018 22.990 7 Na 0.31725104335926 0.15882382734625 0.49974219441018 22.990 8 Na 0.84117617265375 0.68274895664074 0.00025780558982 22.990 9 Zr 0.41831785914076 0.58168214085924 0.75000000000000 91.224 10 Zr 0.58168214085924 0.41831785914076 0.25000000000000 91.224 11 Zr 0.24930787962882 0.75069212037118 0.25000000000000 91.224 12 Zr 0.75069212037118 0.24930787962882 0.75000000000000 91.224 13 O 0.50843249901744 0.67851093280872 0.14481011839039 15.999 14 O 0.32148906719128 0.49156750098256 0.35518988160961 15.999 15 O 0.49156750098256 0.32148906719128 0.85518988160961 15.999 16 O 0.67851093280872 0.50843249901744 0.64481011839039 15.999 17 O 0.42108063367674 0.87914020589367 0.64509675353447 15.999 18 O 0.12085979410633 0.57891936632326 0.85490324646553 15.999 19 O 0.57891936632326 0.12085979410633 0.35490324646553 15.999 20 O 0.87914020589367 0.42108063367675 0.14509675353447 15.999 21 O 0.75128985086646 0.95140246514413 0.85689608828407 15.999 22 O 0.04859753485587 0.24871014913354 0.64310391171593 15.999 23 O 0.24871014913354 0.04859753485587 0.14310391171593 15.999 24 O 0.95140246514413 0.75128985086646 0.35689608828407 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.215868100173028 0.000000000000000 0.000000000000000 b 0.000000000000000 9.726699479999999 0.000000000000000 c -1.920107028566910 0.000000000000000 10.919081955652992 Atomic positions (fractional): 1 Na 0.25000000000000 0.41483705731993 0.75000000000000 22.990 > 1 2 Na 0.75000000000000 0.41483705731993 0.75000000000000 22.990 > 1 3 Na 0.00000000000000 0.08516294268007 0.25000000000000 22.990 > 3 4 Na 0.50000000000000 0.08516294268007 0.25000000000000 22.990 > 3 5 Na 0.37500000000000 0.25000000000000 0.00000000000000 22.990 > 5 6 Na 0.87500000000000 0.25000000000000 0.00000000000000 22.990 > 5 7 Na 0.12500000000000 0.25000000000000 0.50000000000000 22.990 > 7 8 Na 0.62500000000000 0.25000000000000 0.50000000000000 22.990 > 7 9 Na 0.38098128232362 0.07921360800650 0.50025780558982 22.990 > 9 10 Na 0.88098128232362 0.07921360800650 0.50025780558982 22.990 > 9 11 Na 0.11901871767638 0.07921360800650 0.99974219441018 22.990 > 11 12 Na 0.61901871767638 0.07921360800650 0.99974219441018 22.990 > 11 13 Na 0.36901871767638 0.42078639199350 0.49974219441018 22.990 > 13 14 Na 0.86901871767638 0.42078639199350 0.49974219441018 22.990 > 13 15 Na 0.13098128232362 0.42078639199350 0.00025780558982 22.990 > 15 16 Na 0.63098128232362 0.42078639199350 0.00025780558982 22.990 > 15 17 Na 0.00000000000000 0.91483705731993 0.75000000000000 22.990 > 1 18 Na 0.50000000000000 0.91483705731993 0.75000000000000 22.990 > 1 19 Na 0.25000000000000 0.58516294268007 0.25000000000000 22.990 > 3 20 Na 0.75000000000000 0.58516294268007 0.25000000000000 22.990 > 3 21 Na 0.12500000000000 0.75000000000000 0.00000000000000 22.990 > 5 22 Na 0.62500000000000 0.75000000000000 0.00000000000000 22.990 > 5 23 Na 0.37500000000000 0.75000000000000 0.50000000000000 22.990 > 7 24 Na 0.87500000000000 0.75000000000000 0.50000000000000 22.990 > 7 25 Na 0.13098128232362 0.57921360800650 0.50025780558982 22.990 > 9 26 Na 0.63098128232362 0.57921360800650 0.50025780558982 22.990 > 9 27 Na 0.36901871767638 0.57921360800650 0.99974219441018 22.990 > 11 28 Na 0.86901871767638 0.57921360800650 0.99974219441018 22.990 > 11 29 Na 0.11901871767638 0.92078639199350 0.49974219441018 22.990 > 13 30 Na 0.61901871767638 0.92078639199350 0.49974219441018 22.990 > 13 31 Na 0.38098128232362 0.92078639199350 0.00025780558982 22.990 > 15 32 Na 0.88098128232362 0.92078639199350 0.00025780558982 22.990 > 15 33 Zr 0.25000000000000 0.08168214085924 0.75000000000000 91.224 > 33 34 Zr 0.75000000000000 0.08168214085924 0.75000000000000 91.224 > 33 35 Zr 0.00000000000000 0.41831785914076 0.25000000000000 91.224 > 35 36 Zr 0.50000000000000 0.41831785914076 0.25000000000000 91.224 > 35 37 Zr 0.25000000000000 0.25069212037118 0.25000000000000 91.224 > 37 38 Zr 0.75000000000000 0.25069212037118 0.25000000000000 91.224 > 37 39 Zr 0.00000000000000 0.24930787962882 0.75000000000000 91.224 > 39 40 Zr 0.50000000000000 0.24930787962882 0.75000000000000 91.224 > 39 41 Zr 0.00000000000000 0.58168214085924 0.75000000000000 91.224 > 33 42 Zr 0.50000000000000 0.58168214085924 0.75000000000000 91.224 > 33 43 Zr 0.25000000000000 0.91831785914076 0.25000000000000 91.224 > 35 44 Zr 0.75000000000000 0.91831785914076 0.25000000000000 91.224 > 35 45 Zr 0.00000000000000 0.75069212037118 0.25000000000000 91.224 > 37 46 Zr 0.50000000000000 0.75069212037118 0.25000000000000 91.224 > 37 47 Zr 0.25000000000000 0.74930787962882 0.75000000000000 91.224 > 39 48 Zr 0.75000000000000 0.74930787962882 0.75000000000000 91.224 > 39 49 O 0.29673585795654 0.08503921689564 0.14481011839039 15.999 > 49 50 O 0.79673585795654 0.08503921689564 0.14481011839039 15.999 > 49 51 O 0.20326414204346 0.08503921689564 0.35518988160961 15.999 > 51 52 O 0.70326414204346 0.08503921689564 0.35518988160961 15.999 > 51 53 O 0.45326414204346 0.41496078310436 0.85518988160961 15.999 > 53 54 O 0.95326414204346 0.41496078310436 0.85518988160961 15.999 > 53 55 O 0.04673585795654 0.41496078310436 0.64481011839039 15.999 > 55 56 O 0.54673585795654 0.41496078310436 0.64481011839039 15.999 > 55 57 O 0.32505520989260 0.22902978610846 0.64509675353447 15.999 > 57 58 O 0.82505520989260 0.22902978610846 0.64509675353447 15.999 > 57 59 O 0.17494479010740 0.22902978610846 0.85490324646553 15.999 > 59 60 O 0.67494479010740 0.22902978610846 0.85490324646553 15.999 > 59 61 O 0.42494479010740 0.27097021389154 0.35490324646553 15.999 > 61 62 O 0.92494479010740 0.27097021389154 0.35490324646553 15.999 > 61 63 O 0.07505520989260 0.27097021389154 0.14509675353447 15.999 > 63 64 O 0.57505520989260 0.27097021389154 0.14509675353447 15.999 > 63 65 O 0.42567307900265 0.10005630713884 0.85689608828407 15.999 > 65 66 O 0.92567307900265 0.10005630713884 0.85689608828407 15.999 > 65 67 O 0.07432692099735 0.10005630713884 0.64310391171593 15.999 > 67 68 O 0.57432692099735 0.10005630713884 0.64310391171593 15.999 > 67 69 O 0.32432692099735 0.39994369286116 0.14310391171593 15.999 > 69 70 O 0.82432692099735 0.39994369286116 0.14310391171593 15.999 > 69 71 O 0.17567307900265 0.39994369286116 0.35689608828407 15.999 > 71 72 O 0.67567307900265 0.39994369286116 0.35689608828407 15.999 > 71 73 O 0.04673585795654 0.58503921689564 0.14481011839039 15.999 > 49 74 O 0.54673585795654 0.58503921689564 0.14481011839039 15.999 > 49 75 O 0.45326414204346 0.58503921689564 0.35518988160961 15.999 > 51 76 O 0.95326414204346 0.58503921689564 0.35518988160961 15.999 > 51 77 O 0.20326414204346 0.91496078310436 0.85518988160961 15.999 > 53 78 O 0.70326414204346 0.91496078310436 0.85518988160961 15.999 > 53 79 O 0.29673585795654 0.91496078310436 0.64481011839039 15.999 > 55 80 O 0.79673585795654 0.91496078310436 0.64481011839039 15.999 > 55 81 O 0.07505520989260 0.72902978610846 0.64509675353447 15.999 > 57 82 O 0.57505520989260 0.72902978610846 0.64509675353447 15.999 > 57 83 O 0.42494479010740 0.72902978610846 0.85490324646553 15.999 > 59 84 O 0.92494479010740 0.72902978610846 0.85490324646553 15.999 > 59 85 O 0.17494479010740 0.77097021389154 0.35490324646553 15.999 > 61 86 O 0.67494479010740 0.77097021389154 0.35490324646553 15.999 > 61 87 O 0.32505520989260 0.77097021389154 0.14509675353447 15.999 > 63 88 O 0.82505520989260 0.77097021389154 0.14509675353447 15.999 > 63 89 O 0.17567307900265 0.60005630713884 0.85689608828407 15.999 > 65 90 O 0.67567307900265 0.60005630713884 0.85689608828407 15.999 > 65 91 O 0.32432692099735 0.60005630713884 0.64310391171593 15.999 > 67 92 O 0.82432692099735 0.60005630713884 0.64310391171593 15.999 > 67 93 O 0.07432692099735 0.89994369286116 0.14310391171593 15.999 > 69 94 O 0.57432692099735 0.89994369286116 0.14310391171593 15.999 > 69 95 O 0.42567307900265 0.89994369286116 0.35689608828407 15.999 > 71 96 O 0.92567307900265 0.89994369286116 0.35689608828407 15.999 > 71 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.8746553 0.0000000 0.0029148 0.0000000 3.8964840 0.0000000 0.0029122 0.0000000 3.1086138 -------------------------- Born effective charges -------------------------- 1 Na 1.1247144 0.0000000 0.0048159 0.0000000 1.1213213 0.0000000 -0.0020699 0.0000000 0.5958828 2 Na 1.1247144 0.0000000 0.0048159 0.0000000 1.1213213 0.0000000 -0.0020699 0.0000000 0.5958828 3 Na 1.0534359 0.1340446 0.0033331 0.1310453 0.9014696 -0.0029208 -0.0109490 0.0188665 1.3980119 4 Na 1.0534359 -0.1340446 0.0033331 -0.1310453 0.9014696 0.0029208 -0.0109490 -0.0188665 1.3980119 5 Na 0.9424550 0.0670449 -0.0002272 0.0653236 1.0180228 -0.0031040 0.0061183 0.0107285 1.4018511 6 Na 0.9424550 -0.0670449 -0.0002272 -0.0653236 1.0180228 0.0031040 0.0061183 -0.0107285 1.4018511 7 Na 0.9424550 0.0670449 -0.0002272 0.0653236 1.0180228 -0.0031040 0.0061183 0.0107285 1.4018511 8 Na 0.9424550 -0.0670449 -0.0002272 -0.0653236 1.0180228 0.0031040 0.0061183 -0.0107285 1.4018511 9 Zr 5.3977792 0.0000000 -0.0600807 0.0000000 5.4727262 0.0000000 0.0282399 0.0000000 2.9631832 10 Zr 5.3977792 0.0000000 -0.0600807 0.0000000 5.4727262 0.0000000 0.0282399 0.0000000 2.9631832 11 Zr 5.4181287 0.0000000 0.0648268 0.0000000 5.4475028 0.0000000 -0.0056281 0.0000000 2.9605265 12 Zr 5.4181287 0.0000000 0.0648268 0.0000000 5.4475028 0.0000000 -0.0056281 0.0000000 2.9605265 13 O -1.6143685 0.0143409 0.4405015 -0.0079576 -3.3635936 -0.0113273 0.3719625 -0.0078634 -1.7796027 14 O -1.6143685 -0.0143409 0.4405015 0.0079576 -3.3635936 0.0113273 0.3719625 0.0078634 -1.7796027 15 O -1.6143685 0.0143409 0.4405015 -0.0079576 -3.3635936 -0.0113273 0.3719625 -0.0078634 -1.7796027 16 O -1.6143685 -0.0143409 0.4405015 0.0079576 -3.3635936 0.0113273 0.3719625 0.0078634 -1.7796027 17 O -2.9401240 -0.7618915 -0.2166858 -0.7928663 -2.0635128 0.3797511 -0.1871467 0.3176202 -1.7789661 18 O -2.9401240 0.7618915 -0.2166858 0.7928663 -2.0635128 -0.3797511 -0.1871467 -0.3176202 -1.7789661 19 O -2.9401240 -0.7618915 -0.2166858 -0.7928663 -2.0635128 0.3797511 -0.1871467 0.3176202 -1.7789661 20 O -2.9401240 0.7618915 -0.2166858 0.7928663 -2.0635128 -0.3797511 -0.1871467 -0.3176202 -1.7789661 21 O -2.8849916 -0.7181235 -0.2300361 -0.7264132 -2.0624263 0.3793321 -0.1957305 0.3170516 -1.8020844 22 O -2.8849916 0.7181235 -0.2300361 0.7264132 -2.0624263 -0.3793321 -0.1957305 -0.3170516 -1.8020844 23 O -2.8849916 -0.7181235 -0.2300361 -0.7264132 -2.0624263 0.3793321 -0.1957305 0.3170516 -1.8020844 24 O -2.8849916 0.7181235 -0.2300361 0.7264132 -2.0624263 -0.3793321 -0.1957305 -0.3170516 -1.8020844 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (xyx) 0.00000001 (xyx) 0.00000001 (xxy) 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 ... [ 10 10 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.62, Number of G-points: 301, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/141) ======================= 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 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 2.001 ( 0.000 0.000 0.000) 0.000 2.077 ( 0.000 0.000 0.000) 0.000 3.036 ( 0.000 0.000 0.000) 0.000 3.233 ( 0.000 0.000 0.000) 0.000 3.502 ( 0.000 0.000 0.000) 0.000 3.553 ( 0.000 0.000 0.000) 0.000 3.899 ( 0.000 0.000 0.000) 0.000 3.977 ( 0.000 0.000 0.000) 0.000 4.374 ( 0.000 0.000 0.000) 0.000 4.427 ( 0.000 0.000 0.000) 0.000 4.821 ( 0.000 0.000 0.000) 0.000 5.078 ( 0.000 0.000 0.000) 0.000 5.229 ( 0.000 0.000 0.000) 0.000 5.527 ( 0.000 0.000 0.000) 0.000 5.661 ( 0.000 0.000 0.000) 0.000 5.895 ( 0.000 0.000 0.000) 0.000 6.070 ( 0.000 0.000 0.000) 0.000 6.502 ( 0.000 0.000 0.000) 0.000 6.704 ( 0.000 0.000 0.000) 0.000 6.757 ( 0.000 0.000 0.000) 0.000 6.792 ( 0.000 0.000 0.000) 0.000 7.065 ( 0.000 0.000 0.000) 0.000 7.073 ( 0.000 0.000 0.000) 0.000 7.905 ( 0.000 0.000 0.000) 0.000 7.929 ( 0.000 0.000 0.000) 0.000 8.010 ( 0.000 0.000 0.000) 0.000 8.089 ( 0.000 0.000 0.000) 0.000 8.118 ( 0.000 0.000 0.000) 0.000 8.145 ( 0.000 0.000 0.000) 0.000 8.566 ( 0.000 0.000 0.000) 0.000 8.735 ( 0.000 0.000 0.000) 0.000 8.784 ( 0.000 0.000 0.000) 0.000 8.804 ( 0.000 0.000 0.000) 0.000 8.875 ( 0.000 0.000 0.000) 0.000 8.933 ( 0.000 0.000 0.000) 0.000 9.017 ( 0.000 0.000 0.000) 0.000 9.044 ( 0.000 0.000 0.000) 0.000 9.262 ( 0.000 0.000 0.000) 0.000 9.337 ( 0.000 0.000 0.000) 0.000 9.338 ( 0.000 0.000 0.000) 0.000 9.343 ( 0.000 0.000 0.000) 0.000 9.608 ( 0.000 0.000 0.000) 0.000 10.067 ( 0.000 0.000 0.000) 0.000 10.401 ( 0.000 0.000 0.000) 0.000 11.015 ( 0.000 0.000 0.000) 0.000 11.486 ( 0.000 0.000 0.000) 0.000 11.593 ( 0.000 0.000 0.000) 0.000 11.601 ( 0.000 0.000 0.000) 0.000 11.806 ( 0.000 0.000 0.000) 0.000 12.241 ( 0.000 0.000 0.000) 0.000 12.339 ( 0.000 0.000 0.000) 0.000 12.648 ( 0.000 0.000 0.000) 0.000 12.696 ( 0.000 0.000 0.000) 0.000 12.707 ( 0.000 0.000 0.000) 0.000 12.731 ( 0.000 0.000 0.000) 0.000 12.896 ( 0.000 0.000 0.000) 0.000 12.947 ( 0.000 0.000 0.000) 0.000 12.961 ( 0.000 0.000 0.000) 0.000 13.041 ( 0.000 0.000 0.000) 0.000 13.798 ( 0.000 0.000 0.000) 0.000 14.486 ( 0.000 0.000 0.000) 0.000 14.501 ( 0.000 0.000 0.000) 0.000 14.580 ( 0.000 0.000 0.000) 0.000 14.598 ( 0.000 0.000 0.000) 0.000 17.181 ( 0.000 0.000 0.000) 0.000 17.400 ( 0.000 0.000 0.000) 0.000 17.808 ( 0.000 0.000 0.000) 0.000 18.406 ( 0.000 0.000 0.000) 0.000 18.414 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/141) ======================= q-point: ( 0.10 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.652 ( 28.294 -14.007 1.614) 31.612 0.879 ( 35.910 -21.414 -0.263) 41.811 1.465 ( 60.049 -35.415 1.821) 69.738 2.206 ( 11.580 -7.809 -0.737) 13.986 2.442 ( 30.133 -17.200 -1.465) 34.727 3.121 ( 5.770 -4.447 2.501) 7.702 3.269 ( -0.006 -6.735 -2.804) 7.296 3.570 ( 5.258 -1.239 3.476) 6.424 3.631 ( 3.464 2.164 0.754) 4.153 3.806 ( -5.583 -0.238 -2.863) 6.279 4.090 ( 6.896 -0.921 -1.547) 7.127 4.374 ( 0.040 0.385 0.669) 0.773 4.511 ( 6.712 -1.803 -1.027) 7.025 4.750 ( -5.149 3.827 -1.026) 6.497 5.072 ( -0.812 -1.449 -5.237) 5.494 5.171 ( -5.699 1.968 1.261) 6.159 5.512 ( -2.381 0.149 -2.562) 3.501 5.603 ( -5.479 2.578 6.660) 9.001 5.866 ( -4.982 2.116 -2.421) 5.930 6.068 ( 1.591 4.556 0.290) 4.835 6.491 ( -1.851 -0.735 1.403) 2.436 6.682 ( -2.856 2.347 3.544) 5.121 6.755 ( -1.737 -2.109 6.776) 7.306 6.856 ( 6.875 3.144 -10.115) 12.628 6.963 ( -5.127 -1.746 -6.387) 8.374 7.156 ( -1.494 -2.925 5.512) 6.416 7.672 ( -16.203 7.407 -1.908) 17.918 7.777 ( -17.318 0.648 -0.578) 17.339 7.862 ( -16.006 9.779 -0.640) 18.768 7.870 ( -14.788 8.703 0.266) 17.161 7.993 ( -5.157 11.848 3.851) 13.483 8.089 ( -3.577 2.041 1.823) 4.503 8.671 ( 5.533 -1.599 2.458) 6.262 8.729 ( -1.678 -1.341 -0.947) 2.347 8.790 ( -7.516 -11.338 0.687) 13.620 8.803 ( 0.439 -8.153 -1.027) 8.229 8.905 ( 0.370 1.201 2.491) 2.790 8.947 ( -1.444 -0.310 -0.783) 1.672 9.026 ( 6.643 1.152 -4.170) 7.927 9.134 ( 5.500 -2.721 -0.079) 6.136 9.249 ( 0.547 3.224 -1.432) 3.570 9.459 ( 8.801 2.403 0.691) 9.150 9.528 ( 10.054 8.518 3.798) 13.714 9.839 ( 22.273 -11.377 -3.821) 25.300 10.037 ( 0.400 -7.130 0.249) 7.146 10.296 ( -8.106 4.838 1.308) 9.530 11.075 ( 9.211 -2.650 2.528) 9.912 11.435 ( -3.154 -1.764 -1.942) 4.102 11.483 ( -2.850 1.254 -2.738) 4.147 11.556 ( 3.110 -1.368 -1.964) 3.924 11.739 ( -0.591 0.736 0.930) 1.325 12.302 ( 4.172 -0.516 1.941) 4.630 12.371 ( 4.087 -6.076 0.745) 7.361 12.511 ( -8.956 2.561 -2.680) 9.693 12.549 ( -8.916 -1.012 -1.116) 9.043 12.734 ( 4.448 1.346 0.080) 4.648 12.781 ( -1.902 1.517 0.801) 2.561 12.896 ( 3.498 1.999 2.226) 4.604 12.979 ( 7.834 -2.109 -2.241) 8.417 13.059 ( 7.639 4.280 -0.390) 8.765 13.177 ( 9.256 -7.728 -1.667) 12.173 13.728 ( -1.692 -1.970 -14.051) 14.289 14.424 ( -2.542 1.566 2.294) 3.766 14.453 ( -4.156 0.146 -0.777) 4.230 14.648 ( 6.530 -1.103 -1.914) 6.893 14.703 ( 6.047 -4.602 -0.966) 7.660 17.116 ( -5.320 3.190 0.693) 6.242 17.401 ( -0.042 -0.786 1.840) 2.001 17.699 ( -9.099 4.989 -1.072) 10.432 18.402 ( 1.499 1.537 -0.864) 2.315 18.451 ( 1.351 -2.771 0.907) 3.213 18.888 ( 0.536 -3.557 -15.518) 15.930 ======================= Grid point 2 (3/141) ======================= q-point: ( 0.20 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( 27.412 -13.845 3.606) 30.921 1.704 ( 33.226 -18.940 -0.438) 38.248 2.551 ( 14.585 -14.150 -3.806) 20.674 2.856 ( 53.003 -31.648 2.365) 61.778 2.998 ( 12.730 -2.158 0.239) 12.914 3.362 ( 7.668 -6.122 -4.267) 10.700 3.586 ( 26.823 -24.303 8.843) 37.260 3.644 ( 0.305 -1.497 -1.781) 2.347 3.690 ( 4.034 0.179 2.920) 4.983 3.791 ( 4.384 -4.334 -3.183) 6.938 4.210 ( 8.026 3.122 -2.293) 8.912 4.372 ( 0.093 1.089 2.349) 2.590 4.567 ( -7.804 2.923 -2.193) 8.617 4.716 ( 11.059 -2.751 -0.502) 11.407 4.993 ( -8.056 0.888 -7.407) 10.980 5.056 ( -3.677 0.130 0.426) 3.704 5.434 ( -2.706 6.686 -2.820) 7.745 5.490 ( -4.770 2.517 5.365) 7.607 5.725 ( -8.170 -0.871 0.520) 8.232 6.075 ( 3.995 2.946 -1.472) 5.177 6.460 ( -2.534 0.329 2.440) 3.533 6.582 ( -6.193 3.973 5.310) 9.073 6.762 ( -2.598 -1.246 5.749) 6.431 6.884 ( -4.127 0.318 -2.504) 4.838 6.899 ( 2.394 3.490 -9.155) 10.086 7.143 ( -5.360 0.379 3.253) 6.281 7.231 ( -17.127 7.042 -2.725) 18.717 7.370 ( -19.531 7.388 0.192) 20.882 7.424 ( -19.197 7.237 -0.023) 20.516 7.500 ( -15.587 9.797 0.625) 18.421 7.831 ( -3.354 4.811 0.712) 5.907 8.032 ( -1.504 2.130 0.669) 2.692 8.700 ( -2.947 -3.447 1.211) 4.694 8.756 ( -5.165 -3.982 -1.007) 6.599 8.775 ( 2.278 1.167 0.059) 2.560 8.874 ( -0.714 -2.334 0.144) 2.445 8.918 ( -2.612 -1.930 0.781) 3.340 8.951 ( 2.744 -5.737 0.203) 6.363 9.064 ( -1.903 4.181 -1.495) 4.831 9.148 ( 0.885 2.360 -0.562) 2.582 9.309 ( 6.436 1.411 -3.143) 7.300 9.444 ( -2.893 4.640 2.631) 6.067 9.711 ( 9.969 -0.467 2.458) 10.278 10.003 ( 1.357 -0.563 -2.832) 3.190 10.058 ( -9.634 6.263 1.518) 11.591 10.202 ( 0.226 -4.884 -2.039) 5.298 11.276 ( 3.497 -3.735 1.650) 5.376 11.382 ( -2.326 -3.401 0.587) 4.162 11.439 ( 0.034 1.137 -0.702) 1.337 11.558 ( -1.097 0.476 -1.355) 1.807 12.059 ( 19.145 -1.914 -2.067) 19.351 12.191 ( -13.747 0.179 -0.072) 13.748 12.293 ( -5.041 10.647 -0.932) 11.816 12.473 ( 7.165 -5.482 2.309) 9.312 12.592 ( 1.444 1.006 0.388) 1.802 12.677 ( 0.734 3.835 -0.450) 3.931 12.834 ( 10.453 -2.656 -1.256) 10.858 12.913 ( 3.070 7.561 -1.668) 8.329 13.144 ( 4.955 0.467 -1.796) 5.291 13.254 ( 14.868 -5.091 1.366) 15.775 13.408 ( 6.333 -10.004 -3.523) 12.354 13.673 ( -4.130 -2.046 3.184) 5.602 14.373 ( -4.762 -1.669 2.781) 5.762 14.433 ( 2.327 -2.571 0.238) 3.476 14.793 ( 7.867 -3.529 -2.252) 8.911 14.891 ( 10.795 -3.544 -1.311) 11.437 16.939 ( -9.547 5.459 0.800) 11.027 17.356 ( -15.827 5.938 -6.398) 18.075 17.473 ( 1.292 1.040 9.366) 9.512 18.399 ( -0.164 1.752 -2.485) 3.045 18.515 ( 1.753 -3.784 1.548) 4.448 18.904 ( 1.130 -4.838 -10.020) 11.184 ======================= Grid point 3 (4/141) ======================= q-point: ( 0.30 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( 23.801 -12.286 5.763) 27.398 2.446 ( 30.082 -15.918 -1.036) 34.050 2.927 ( 12.592 -12.856 -3.851) 18.403 3.104 ( 4.410 0.136 -2.247) 4.951 3.498 ( 5.101 -0.411 -1.476) 5.327 3.631 ( -1.097 -5.873 1.931) 6.279 3.739 ( 3.799 -1.666 4.314) 5.985 3.903 ( 3.122 -3.400 -2.769) 5.383 4.106 ( 40.313 -25.122 1.050) 47.511 4.203 ( -0.481 4.486 -3.486) 5.702 4.347 ( -1.092 1.497 6.098) 6.374 4.454 ( 16.612 -15.866 3.492) 23.236 4.488 ( 12.983 -4.495 -1.424) 13.813 4.816 ( -4.879 2.608 -5.457) 7.771 4.913 ( 0.518 0.995 1.417) 1.808 5.003 ( 3.705 -4.193 -3.385) 6.540 5.246 ( -5.836 9.614 0.615) 11.263 5.477 ( 3.103 -2.475 -4.844) 6.262 5.626 ( -5.614 -2.101 2.846) 6.636 6.130 ( 3.901 0.260 -2.490) 4.635 6.393 ( -7.513 5.601 6.539) 11.427 6.426 ( -5.237 0.651 1.743) 5.558 6.576 ( -16.014 7.525 2.238) 17.835 6.724 ( -5.373 5.646 4.659) 9.081 6.772 ( -9.392 6.101 -6.881) 13.145 6.938 ( -2.715 3.391 -10.782) 11.624 7.000 ( -15.555 0.854 2.177) 15.730 7.141 ( -5.356 3.467 1.554) 6.567 7.186 ( -5.853 1.393 -1.084) 6.113 7.226 ( 0.333 -0.739 7.144) 7.190 7.763 ( -1.848 0.447 0.667) 2.015 7.987 ( -1.306 1.894 -0.836) 2.448 8.585 ( -10.434 6.072 -4.254) 12.799 8.671 ( -7.886 1.649 -0.009) 8.056 8.774 ( -0.388 -0.004 1.485) 1.535 8.795 ( -3.840 2.387 0.624) 4.564 8.920 ( -7.927 -0.203 0.316) 7.936 8.958 ( 2.882 -1.678 2.243) 4.019 9.090 ( 4.836 -2.076 -0.635) 5.301 9.133 ( 0.847 2.552 0.217) 2.697 9.347 ( -1.174 0.669 -4.495) 4.694 9.372 ( -0.744 -0.468 1.707) 1.920 9.800 ( -8.657 3.756 1.431) 9.544 9.873 ( 4.666 2.102 -0.946) 5.204 10.049 ( 2.133 -2.294 0.347) 3.151 10.205 ( -2.054 -5.126 -0.910) 5.597 11.292 ( -2.310 -3.327 -3.943) 5.653 11.406 ( -3.460 -2.444 2.421) 4.879 11.463 ( -0.545 -2.842 2.675) 3.941 11.567 ( 0.812 -2.414 -0.832) 2.679 11.922 ( -9.794 6.044 -1.685) 11.631 12.051 ( -0.677 3.069 0.396) 3.167 12.135 ( -2.091 15.297 1.470) 15.509 12.429 ( -4.453 11.469 -2.159) 12.491 12.714 ( 7.672 3.220 1.894) 8.534 12.792 ( 2.129 2.562 0.464) 3.364 12.816 ( 0.262 2.476 -1.078) 2.713 13.123 ( 2.003 -3.044 2.120) 4.216 13.258 ( 17.778 -0.709 -10.636) 20.729 13.576 ( 8.433 -6.969 3.190) 11.396 13.593 ( 4.868 -8.811 1.881) 10.240 13.674 ( 4.544 -3.283 4.139) 6.968 14.328 ( -2.318 -1.142 -0.647) 2.664 14.566 ( 4.165 -8.356 3.633) 10.019 14.991 ( 10.459 -5.272 -3.374) 12.188 15.160 ( 15.406 -4.184 -0.655) 15.977 16.678 ( -12.738 6.730 0.365) 14.411 16.874 ( -24.010 10.656 -2.520) 26.389 17.610 ( 8.038 -1.640 7.142) 10.877 18.335 ( -3.375 2.041 -3.404) 5.209 18.605 ( 2.489 -5.229 1.502) 5.983 18.958 ( 1.835 -4.480 -6.231) 7.891 ======================= Grid point 4 (5/141) ======================= q-point: ( 0.40 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.400 ( 15.223 -8.134 5.676) 18.169 3.085 ( 25.121 -11.556 -2.122) 27.732 3.143 ( 4.714 1.732 -1.781) 5.328 3.251 ( 7.577 -12.015 -4.146) 14.797 3.519 ( 0.376 0.645 -1.361) 1.552 3.678 ( -2.483 -1.899 4.263) 5.286 3.818 ( 2.188 -0.631 3.495) 4.171 3.933 ( 0.685 0.560 -3.027) 3.153 4.050 ( -7.001 2.578 -3.408) 8.202 4.280 ( -1.006 1.667 3.775) 4.247 4.521 ( -0.492 -0.502 3.038) 3.119 4.620 ( -6.257 2.915 -4.051) 8.004 4.748 ( -6.685 2.449 -4.688) 8.524 4.789 ( 6.486 -1.581 3.516) 7.545 5.088 ( 13.529 -5.112 0.645) 14.477 5.219 ( 12.435 -6.985 -3.635) 14.719 5.259 ( 9.233 -7.903 4.926) 13.114 5.501 ( -3.581 -0.405 -0.954) 3.728 5.678 ( 9.390 -7.323 -0.361) 11.914 6.136 ( -2.118 2.580 -3.371) 4.744 6.210 ( -4.537 0.709 4.456) 6.398 6.349 ( -5.887 2.984 2.016) 6.901 6.380 ( -2.748 -0.972 5.600) 6.313 6.497 ( -8.834 6.420 -8.137) 13.618 6.590 ( -0.211 8.587 -2.967) 9.088 6.777 ( -5.644 -1.392 2.936) 6.512 6.924 ( -0.326 1.037 -3.727) 3.882 7.013 ( -1.577 -0.727 0.043) 1.737 7.191 ( 1.196 -1.073 -1.645) 2.300 7.345 ( 4.421 -5.188 9.758) 11.903 7.745 ( -1.061 0.156 -0.840) 1.363 7.939 ( -1.279 2.039 -0.302) 2.426 8.229 ( -14.282 9.856 -5.250) 18.130 8.425 ( -12.967 6.686 1.067) 14.628 8.727 ( -2.114 0.069 0.136) 2.120 8.779 ( -4.860 -2.805 0.384) 5.625 8.821 ( 1.292 2.484 0.304) 2.816 9.020 ( 3.157 2.865 1.208) 4.431 9.132 ( 1.095 -3.296 0.799) 3.564 9.195 ( 2.561 -1.184 1.711) 3.299 9.282 ( -3.520 0.446 -3.476) 4.967 9.382 ( 0.378 -0.736 -1.605) 1.806 9.618 ( -6.535 2.907 2.070) 7.446 9.902 ( 1.365 2.333 -2.422) 3.630 10.138 ( 3.846 -3.429 0.799) 5.215 10.285 ( 2.989 -7.437 0.454) 8.028 11.217 ( -6.689 0.629 -4.714) 8.207 11.280 ( -14.158 -2.163 4.090) 14.895 11.440 ( -0.010 2.018 -0.392) 2.056 11.609 ( 0.781 -2.415 0.564) 2.600 11.799 ( 1.573 1.494 -0.031) 2.169 11.957 ( -1.572 6.679 -1.170) 6.960 12.186 ( 10.481 3.071 0.925) 10.961 12.237 ( -0.224 9.831 -0.738) 9.861 12.586 ( -9.864 3.229 0.824) 10.412 12.760 ( 1.396 6.971 0.161) 7.111 12.892 ( 0.564 -1.478 1.192) 1.981 13.114 ( -1.197 -0.622 -0.653) 1.499 13.467 ( 8.707 2.041 -7.043) 11.383 13.616 ( -3.730 -3.762 5.696) 7.779 13.755 ( 4.137 -4.284 1.828) 6.230 13.986 ( 13.593 -5.310 2.729) 14.846 14.297 ( -1.870 -0.007 -2.768) 3.341 14.719 ( 2.664 -5.806 2.344) 6.805 15.265 ( 14.024 -7.789 -3.570) 16.434 15.509 ( 17.081 -5.922 0.082) 18.078 16.307 ( -23.265 11.540 0.145) 25.970 16.368 ( -15.320 6.650 -0.260) 16.703 17.791 ( 7.637 -0.795 4.123) 8.715 18.237 ( -4.060 1.229 -2.407) 4.877 18.709 ( 2.399 -4.531 1.311) 5.292 19.003 ( 0.790 -2.173 -3.250) 3.989 ======================= Grid point 5 (6/141) ======================= 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.600 ( 0.000 -0.000 0.000) 0.000 3.175 ( 0.000 -0.000 -0.000) 0.000 3.380 ( 0.000 0.000 -0.000) 0.000 3.453 ( -0.000 -0.000 0.000) 0.000 3.527 ( 0.000 -0.000 -0.000) 0.000 3.648 ( 0.000 -0.000 -0.000) 0.000 3.815 ( 0.000 -0.000 -0.000) 0.000 3.922 ( 0.000 -0.000 0.000) 0.000 3.950 ( 0.000 -0.000 0.000) 0.000 4.280 ( 0.000 -0.000 0.000) 0.000 4.486 ( 0.000 -0.000 0.000) 0.000 4.524 ( 0.000 -0.000 0.000) 0.000 4.657 ( 0.000 -0.000 -0.000) 0.000 4.824 ( 0.000 -0.000 0.000) 0.000 5.219 ( -0.000 -0.000 0.000) 0.000 5.329 ( 0.000 -0.000 0.000) 0.000 5.363 ( 0.000 -0.000 -0.000) 0.000 5.542 ( -0.000 -0.000 0.000) 0.000 5.902 ( -0.000 -0.000 0.000) 0.000 6.100 ( 0.000 0.000 0.000) 0.000 6.196 ( 0.000 -0.000 0.000) 0.000 6.261 ( 0.000 0.000 -0.000) 0.000 6.295 ( 0.000 -0.000 0.000) 0.000 6.400 ( 0.000 0.000 0.000) 0.000 6.551 ( 0.000 -0.000 0.000) 0.000 6.754 ( 0.000 -0.000 0.000) 0.000 6.911 ( 0.000 -0.000 0.000) 0.000 7.057 ( 0.000 -0.000 0.000) 0.000 7.206 ( 0.000 -0.000 0.000) 0.000 7.464 ( 0.000 -0.000 0.000) 0.000 7.672 ( 0.000 -0.000 0.000) 0.000 7.922 ( 0.000 -0.000 0.000) 0.000 8.043 ( 0.000 -0.000 0.000) 0.000 8.214 ( 0.000 -0.000 0.000) 0.000 8.709 ( 0.000 -0.000 0.000) 0.000 8.740 ( 0.000 -0.000 -0.000) 0.000 8.833 ( 0.000 -0.000 -0.000) 0.000 9.033 ( 0.000 -0.000 0.000) 0.000 9.192 ( 0.000 -0.000 0.000) 0.000 9.211 ( -0.000 0.000 -0.000) 0.000 9.231 ( 0.000 -0.000 0.000) 0.000 9.384 ( 0.000 -0.000 0.000) 0.000 9.545 ( 0.000 -0.000 -0.000) 0.000 9.894 ( 0.000 -0.000 -0.000) 0.000 10.209 ( 0.000 -0.000 0.000) 0.000 10.376 ( 0.000 0.000 0.000) 0.000 11.115 ( 0.000 -0.000 0.000) 0.000 11.133 ( 0.000 0.000 -0.000) 0.000 11.430 ( 0.000 -0.000 0.000) 0.000 11.635 ( 0.000 -0.000 0.000) 0.000 11.811 ( 0.000 0.000 0.000) 0.000 11.987 ( 0.000 -0.000 -0.000) 0.000 12.063 ( 0.000 -0.000 0.000) 0.000 12.364 ( 0.000 -0.000 0.000) 0.000 12.480 ( 0.000 -0.000 0.000) 0.000 12.684 ( -0.000 0.000 0.000) 0.000 12.904 ( 0.000 -0.000 0.000) 0.000 13.108 ( 0.000 -0.000 0.000) 0.000 13.523 ( -0.000 -0.000 0.000) 0.000 13.606 ( 0.000 0.000 -0.000) 0.000 13.818 ( 0.000 -0.000 0.000) 0.000 14.190 ( -0.000 0.000 -0.000) 0.000 14.230 ( 0.000 -0.000 0.000) 0.000 14.777 ( 0.000 -0.000 0.000) 0.000 15.528 ( 0.000 -0.000 0.000) 0.000 15.810 ( 0.000 -0.000 0.000) 0.000 15.889 ( 0.000 -0.000 0.000) 0.000 16.124 ( 0.000 -0.000 0.000) 0.000 17.880 ( 0.000 -0.000 0.000) 0.000 18.182 ( 0.000 -0.000 0.000) 0.000 18.762 ( 0.000 -0.000 -0.000) 0.000 19.013 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 12 (7/141) ======================= q-point: ( 0.10 0.10 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( 32.559 -0.000 3.417) 32.738 1.473 ( 37.284 -0.000 9.209) 38.404 2.367 ( 16.852 -0.000 -12.112) 20.753 2.494 ( 65.426 -0.000 -2.666) 65.481 3.060 ( 27.253 -0.000 7.207) 28.190 3.244 ( 9.316 -0.000 4.887) 10.520 3.302 ( 19.262 -0.000 -2.818) 19.467 3.639 ( -1.687 0.000 -0.082) 1.689 3.701 ( 3.097 -0.000 2.898) 4.242 3.745 ( 4.683 -0.000 -4.095) 6.221 4.247 ( 10.104 -0.000 -1.442) 10.206 4.380 ( -0.140 0.000 2.434) 2.438 4.581 ( -3.919 0.000 -5.185) 6.500 4.709 ( 6.322 -0.000 0.467) 6.339 4.985 ( -5.864 0.000 -11.452) 12.866 5.072 ( -6.338 0.000 6.514) 9.088 5.462 ( -2.289 0.000 -4.403) 4.963 5.566 ( -2.934 0.000 9.258) 9.712 5.708 ( -11.888 0.000 -2.256) 12.100 6.111 ( 1.618 -0.000 -2.348) 2.852 6.463 ( -1.652 0.000 2.545) 3.034 6.625 ( -6.169 0.000 4.260) 7.497 6.742 ( -1.387 0.000 9.503) 9.603 6.866 ( -4.895 0.000 -4.250) 6.482 6.945 ( 4.599 -0.000 -10.897) 11.828 7.125 ( -2.078 0.000 5.597) 5.970 7.384 ( -19.694 0.000 -1.483) 19.750 7.385 ( -23.995 0.000 -3.850) 24.302 7.515 ( -23.729 0.000 0.963) 23.749 7.592 ( -19.759 0.000 0.105) 19.759 7.936 ( -7.132 0.000 -0.271) 7.137 8.038 ( -3.078 0.000 2.897) 4.227 8.636 ( -1.531 0.000 1.515) 2.154 8.654 ( -2.583 0.000 4.365) 5.072 8.781 ( -0.575 0.000 0.067) 0.579 8.811 ( 3.718 -0.000 -2.367) 4.407 8.850 ( 3.283 -0.000 0.330) 3.300 8.948 ( -1.617 0.000 -0.670) 1.750 9.155 ( 6.868 -0.000 -5.324) 8.689 9.209 ( 2.599 -0.000 -0.449) 2.638 9.344 ( 2.661 -0.000 -2.230) 3.472 9.514 ( -0.549 0.000 2.179) 2.247 9.670 ( -0.240 0.000 4.980) 4.985 9.970 ( -2.230 0.000 -4.289) 4.834 10.133 ( 8.557 -0.000 -5.003) 9.912 10.145 ( -10.686 0.000 4.408) 11.559 11.238 ( 6.033 -0.000 4.741) 7.673 11.343 ( -6.323 0.000 -0.514) 6.344 11.443 ( 1.849 -0.000 -2.976) 3.503 11.576 ( -3.721 0.000 -1.270) 3.932 12.047 ( 33.078 -0.000 -2.742) 33.191 12.241 ( -3.257 0.000 0.737) 3.339 12.274 ( -11.154 0.000 -0.868) 11.187 12.514 ( 1.967 -0.000 -0.244) 1.982 12.540 ( 7.034 -0.000 -0.246) 7.038 12.718 ( 1.833 -0.000 -0.523) 1.906 12.785 ( -0.869 0.000 0.819) 1.194 13.096 ( 6.541 -0.000 -2.643) 7.055 13.097 ( 8.520 -0.000 0.350) 8.527 13.207 ( 9.386 -0.000 3.654) 10.072 13.337 ( 13.153 -0.000 -2.947) 13.479 13.625 ( -5.050 0.000 -4.664) 6.875 14.346 ( -5.578 0.000 5.632) 7.927 14.422 ( 0.329 -0.000 -5.282) 5.292 14.759 ( 7.545 -0.000 1.634) 7.720 14.852 ( 11.701 -0.000 -1.128) 11.755 16.997 ( -10.015 0.000 1.090) 10.074 17.388 ( -6.982 0.000 -4.156) 8.125 17.515 ( -8.093 0.000 7.485) 11.023 18.463 ( 2.926 -0.000 -0.519) 2.971 18.466 ( 1.928 -0.000 0.968) 2.157 18.803 ( -1.723 0.000 -14.069) 14.174 ======================= Grid point 13 (8/141) ======================= q-point: ( 0.20 0.10 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( 30.919 -2.657 6.013) 31.610 2.175 ( 32.502 -8.444 7.131) 34.330 2.677 ( 16.557 -7.924 -11.712) 21.773 3.174 ( 3.611 3.849 -0.775) 5.335 3.452 ( 11.577 -2.682 3.666) 12.436 3.567 ( -2.997 -1.059 -2.725) 4.187 3.623 ( 40.253 -8.669 -2.361) 41.243 3.799 ( 15.920 -2.443 5.843) 17.134 3.854 ( 5.184 -1.285 -2.180) 5.769 4.037 ( 33.549 -10.671 3.596) 35.389 4.364 ( 0.911 3.201 -0.810) 3.425 4.396 ( -4.041 2.058 -1.342) 4.730 4.447 ( 4.026 -2.482 -1.480) 4.956 4.835 ( -4.818 -0.104 -8.534) 9.801 4.915 ( 11.534 -0.383 0.559) 11.554 4.975 ( -6.400 0.393 4.819) 8.020 5.417 ( -4.925 4.579 -4.847) 8.289 5.447 ( -4.011 0.777 -2.450) 4.764 5.578 ( -3.764 -2.630 6.277) 7.777 6.128 ( 1.614 -0.127 -4.081) 4.390 6.430 ( -3.962 0.156 1.824) 4.364 6.488 ( -10.056 2.754 5.582) 11.827 6.677 ( -15.707 2.253 0.295) 15.871 6.728 ( -5.341 -1.986 9.777) 11.317 6.921 ( -16.209 6.669 -4.218) 18.028 6.955 ( -0.130 0.536 -9.097) 9.114 7.023 ( -16.940 -1.459 -3.341) 17.328 7.146 ( -1.553 -0.033 -0.169) 1.563 7.209 ( -7.936 0.077 4.804) 9.277 7.275 ( -12.448 1.984 1.859) 12.741 7.821 ( -2.467 3.631 0.110) 4.391 7.994 ( -3.215 -1.028 0.555) 3.420 8.631 ( -1.284 0.104 0.462) 1.368 8.649 ( -3.817 -3.490 4.416) 6.801 8.736 ( -2.097 -0.450 -1.170) 2.443 8.853 ( -0.718 1.401 0.713) 1.728 8.892 ( -0.436 -1.075 -4.590) 4.734 8.964 ( 2.879 -1.092 0.667) 3.150 9.134 ( -2.059 7.647 0.052) 7.919 9.227 ( 3.120 2.754 -2.975) 5.116 9.362 ( -0.572 -2.011 -2.613) 3.347 9.430 ( -3.345 8.044 2.154) 8.974 9.733 ( 0.528 -9.141 4.645) 10.267 9.850 ( -10.370 -1.707 -4.646) 11.491 10.034 ( -2.037 -0.357 3.244) 3.847 10.136 ( -3.642 -0.521 -4.145) 5.542 11.236 ( -6.780 -1.361 -1.278) 7.032 11.279 ( -5.731 -4.240 2.537) 7.567 11.479 ( 2.697 0.690 0.527) 2.833 11.527 ( -1.071 -0.832 -0.649) 1.504 12.024 ( -6.483 4.399 0.376) 7.844 12.095 ( -5.432 1.319 -0.791) 5.646 12.432 ( -7.221 0.596 -1.828) 7.473 12.486 ( -9.396 4.184 1.110) 10.345 12.693 ( 16.988 -0.348 -0.027) 16.992 12.828 ( 9.216 2.852 1.313) 9.736 13.017 ( 9.421 4.100 -1.109) 10.334 13.102 ( 5.687 6.448 -1.496) 8.727 13.193 ( 13.384 -7.393 -4.980) 16.080 13.487 ( 12.400 -2.654 8.139) 15.068 13.513 ( 1.858 0.856 0.200) 2.055 13.610 ( 10.627 -2.387 -5.258) 12.094 14.297 ( -3.028 -1.192 7.901) 8.545 14.447 ( 3.865 -3.151 -7.187) 8.748 14.927 ( 9.686 -1.167 1.866) 9.933 15.093 ( 14.376 -1.997 -0.503) 14.523 16.775 ( -13.372 2.528 0.470) 13.617 17.011 ( -25.144 3.072 -3.601) 25.586 17.611 ( 9.833 0.717 10.015) 14.054 18.455 ( 1.199 8.562 -2.819) 9.094 18.512 ( 1.016 -2.883 1.265) 3.308 18.787 ( -1.287 -10.343 -9.971) 14.424 ======================= Grid point 14 (9/141) ======================= q-point: ( 0.30 0.10 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.314 ( 24.560 -0.459 8.248) 25.912 2.834 ( 27.653 -11.580 3.974) 30.242 3.008 ( 13.052 -9.904 -8.607) 18.507 3.199 ( 3.281 2.674 -1.542) 4.505 3.520 ( -1.015 -0.553 -7.867) 7.952 3.651 ( 6.335 -0.720 5.050) 8.133 3.800 ( 2.806 -0.677 6.274) 6.906 3.917 ( 1.504 -1.145 -2.163) 2.873 4.147 ( -7.472 5.260 -7.671) 11.931 4.314 ( -1.491 1.800 2.358) 3.319 4.463 ( -0.057 -5.237 6.152) 8.079 4.571 ( -1.745 -5.801 -7.756) 9.841 4.629 ( 26.075 -10.157 2.782) 28.121 4.823 ( -4.771 2.940 -0.510) 5.628 4.944 ( 12.827 -2.736 0.575) 13.129 5.097 ( 6.944 -5.269 1.939) 8.930 5.273 ( 3.865 4.602 -0.232) 6.014 5.486 ( 1.970 -0.924 -4.644) 5.128 5.582 ( 2.660 -2.073 2.761) 4.358 6.146 ( -0.179 -1.140 -5.486) 5.606 6.216 ( -15.287 0.369 0.850) 15.315 6.292 ( -13.514 -3.423 3.138) 14.289 6.431 ( -4.836 4.709 4.107) 7.901 6.616 ( -7.986 1.552 -4.737) 9.414 6.698 ( -11.305 -1.792 5.504) 12.701 6.781 ( 0.832 6.589 -2.244) 7.010 6.961 ( 4.945 0.673 -8.897) 10.201 7.067 ( -4.778 3.495 3.119) 6.691 7.163 ( 1.642 -0.664 0.175) 1.780 7.267 ( 3.460 -3.177 9.398) 10.507 7.785 ( 2.294 3.551 0.066) 4.228 7.951 ( -2.645 -1.280 -0.039) 2.939 8.494 ( -8.905 12.410 -4.854) 16.027 8.556 ( -7.811 4.984 3.219) 9.809 8.715 ( -2.789 -1.005 0.525) 3.010 8.749 ( -1.599 1.151 -1.252) 2.335 8.895 ( -1.581 3.496 -3.750) 5.365 8.986 ( 2.693 -4.426 4.953) 7.167 9.137 ( 1.061 -2.240 1.403) 2.848 9.192 ( -0.414 6.216 -1.380) 6.380 9.290 ( -3.976 1.770 3.013) 5.293 9.392 ( 2.510 1.094 -6.367) 6.931 9.662 ( -8.190 0.622 -0.479) 8.227 9.869 ( 0.665 -8.254 2.884) 8.768 10.054 ( 0.664 -2.239 -2.461) 3.393 10.100 ( -0.333 -8.235 -0.528) 8.258 11.085 ( -13.175 -6.105 -3.364) 14.906 11.152 ( -15.750 -7.489 2.550) 17.625 11.478 ( -1.096 2.069 0.643) 2.428 11.561 ( 1.873 -2.287 -0.190) 2.962 11.899 ( -1.235 6.403 0.118) 6.522 12.066 ( -0.768 0.513 1.008) 1.367 12.250 ( -2.136 6.417 -0.138) 6.765 12.347 ( -7.625 -7.216 -0.329) 10.503 12.789 ( -6.247 16.523 -1.085) 17.698 12.884 ( 1.150 6.077 0.934) 6.255 12.890 ( 2.957 1.743 -0.582) 3.481 13.113 ( 1.397 0.200 1.565) 2.107 13.493 ( -4.120 -5.133 4.947) 8.234 13.599 ( 16.923 4.603 -13.519) 22.144 13.731 ( 11.424 1.568 7.444) 13.725 13.893 ( 16.181 -2.904 0.723) 16.455 14.292 ( -0.856 0.216 4.058) 4.153 14.594 ( 8.095 -7.044 -5.774) 12.186 15.135 ( 10.599 -3.805 0.893) 11.296 15.398 ( 15.589 -4.529 0.463) 16.240 16.477 ( -17.332 4.823 -0.748) 18.006 16.492 ( -24.408 5.114 -0.029) 24.938 17.830 ( 12.398 3.718 7.197) 14.810 18.341 ( -1.199 8.990 -3.992) 9.909 18.585 ( 1.462 -6.496 1.421) 6.808 18.866 ( -0.671 -10.805 -5.395) 12.096 ======================= Grid point 15 (10/141) ======================= q-point: ( 0.40 0.10 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.651 ( 11.827 4.948 6.163) 14.225 3.203 ( -0.104 2.027 -0.793) 2.179 3.270 ( 7.115 -7.448 -4.343) 11.178 3.378 ( 16.952 -8.187 1.941) 18.926 3.487 ( -0.076 -0.921 -8.698) 8.747 3.722 ( 3.145 3.503 7.379) 8.753 3.854 ( -0.172 2.435 3.252) 4.066 3.925 ( -3.241 0.685 -1.557) 3.661 3.974 ( -0.026 2.589 -3.791) 4.591 4.258 ( -2.988 -1.259 -0.508) 3.281 4.461 ( -4.658 -2.860 3.878) 6.702 4.519 ( -3.993 -2.183 -2.451) 5.169 4.628 ( -5.875 -0.182 -2.679) 6.459 4.807 ( -2.717 -1.623 -0.004) 3.165 5.259 ( 3.276 -2.816 2.694) 5.091 5.278 ( 2.017 -4.548 1.470) 5.188 5.342 ( 7.752 3.455 -1.426) 8.606 5.531 ( 4.736 -0.627 -0.270) 4.784 5.754 ( 7.781 -9.408 2.081) 12.385 6.006 ( -8.473 -7.108 -3.924) 11.735 6.054 ( -10.549 -5.728 0.728) 12.026 6.260 ( -2.288 -6.545 -4.371) 8.196 6.335 ( -2.913 7.094 4.719) 9.004 6.497 ( -2.384 0.532 -2.204) 3.290 6.563 ( 2.391 5.763 -0.904) 6.304 6.771 ( 0.010 1.573 -3.834) 4.145 7.004 ( 0.129 4.099 5.756) 7.068 7.112 ( 13.425 4.287 -2.276) 14.276 7.201 ( 2.408 0.703 0.285) 2.525 7.416 ( 5.291 -3.535 9.235) 11.215 7.772 ( -0.967 6.319 -1.420) 6.549 7.978 ( 6.598 -0.139 0.922) 6.663 8.126 ( -8.478 13.752 -5.899) 17.199 8.325 ( -8.220 9.475 2.640) 12.818 8.696 ( -0.146 -1.025 1.273) 1.641 8.763 ( 3.386 1.116 -1.918) 4.048 8.835 ( -1.728 1.379 -2.863) 3.617 9.084 ( -1.465 2.504 2.922) 4.118 9.106 ( 0.019 -4.535 3.295) 5.605 9.178 ( -1.446 -3.570 -0.044) 3.853 9.231 ( -2.379 0.013 1.035) 2.594 9.413 ( 3.613 2.117 -5.705) 7.077 9.559 ( -2.015 0.939 0.296) 2.243 9.897 ( -1.549 -0.010 -0.042) 1.550 10.146 ( 2.411 -6.543 2.018) 7.259 10.263 ( 5.711 -10.167 -2.273) 11.881 10.907 ( -16.713 -11.928 0.675) 20.544 10.962 ( -12.326 -14.126 -1.916) 18.845 11.436 ( -1.874 0.512 -0.381) 1.980 11.608 ( 1.122 -1.557 0.602) 2.012 11.827 ( -1.860 3.629 1.138) 4.234 11.974 ( -2.479 2.350 -0.178) 3.421 12.321 ( 1.005 -6.634 -2.820) 7.278 12.366 ( -1.642 -7.999 3.941) 9.067 12.451 ( -1.947 21.317 0.495) 21.411 12.706 ( -11.001 5.051 -2.075) 12.281 12.949 ( 3.931 3.732 -1.289) 5.571 13.148 ( 3.019 3.247 2.587) 5.134 13.483 ( -4.723 -5.168 4.265) 8.198 13.707 ( 10.569 9.062 -14.092) 19.809 13.877 ( 5.561 4.899 8.474) 11.258 14.149 ( 6.426 -2.835 6.073) 9.285 14.264 ( -1.041 2.917 -2.409) 3.923 14.781 ( 8.506 -0.841 -5.313) 10.064 15.396 ( 9.128 -9.832 -1.013) 13.454 15.701 ( 9.200 -5.628 2.667) 11.110 16.022 ( -17.443 6.901 4.769) 19.355 16.166 ( -10.832 3.268 -3.837) 11.947 17.956 ( 4.852 7.099 2.639) 8.994 18.248 ( 1.982 6.369 -2.272) 7.047 18.695 ( 1.917 -6.324 1.336) 6.742 18.928 ( -1.853 -8.004 -2.296) 8.530 ======================= Grid point 16 (11/141) ======================= q-point: (-0.50 0.10 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.634 ( -4.098 13.857 -0.560) 14.461 3.132 ( -4.982 0.882 1.565) 5.296 3.263 ( -15.042 4.717 4.397) 16.366 3.463 ( -1.809 7.400 -0.953) 7.677 3.493 ( 0.917 -1.760 -7.634) 7.887 3.758 ( 4.822 6.849 3.632) 9.130 3.816 ( -0.379 -0.196 1.799) 1.849 3.909 ( -0.521 -0.501 -0.825) 1.097 4.040 ( 7.409 -0.206 0.558) 7.432 4.233 ( -1.335 -3.260 -5.165) 6.252 4.486 ( 2.040 -4.639 1.999) 5.448 4.520 ( 1.272 -4.187 1.474) 4.617 4.633 ( 1.359 -7.538 2.132) 7.951 4.774 ( -1.888 -2.808 -4.975) 6.017 5.165 ( -7.024 5.178 7.891) 11.765 5.322 ( -1.462 0.955 -0.937) 1.982 5.453 ( -9.259 7.075 -2.884) 12.004 5.490 ( 7.968 -1.282 -1.014) 8.134 5.842 ( -11.573 5.776 -0.831) 12.961 6.004 ( -0.161 -11.636 -1.462) 11.728 6.082 ( 3.981 -15.965 1.633) 16.535 6.213 ( -1.883 -2.398 -5.869) 6.613 6.280 ( 2.284 -1.841 2.616) 3.930 6.472 ( -3.193 -2.611 -0.133) 4.127 6.594 ( 3.411 7.369 -3.820) 8.974 6.762 ( 3.231 0.317 3.058) 4.460 7.009 ( 2.936 4.219 3.759) 6.368 7.116 ( -1.867 10.497 0.815) 10.693 7.206 ( -0.522 1.482 3.622) 3.948 7.500 ( -2.095 8.856 -7.002) 11.482 7.729 ( 6.924 -0.482 3.044) 7.579 7.997 ( 1.457 9.393 -3.110) 10.002 8.099 ( 8.307 -3.611 4.107) 9.945 8.321 ( 13.292 -3.105 1.467) 13.729 8.726 ( 1.761 -0.714 0.479) 1.960 8.779 ( -3.351 -1.184 -1.954) 4.056 8.824 ( 5.229 1.688 -2.185) 5.913 8.999 ( -4.152 0.379 0.511) 4.201 9.168 ( -1.525 -0.597 -0.577) 1.737 9.210 ( 0.872 -4.784 1.307) 5.035 9.215 ( 0.752 -0.464 4.951) 5.029 9.436 ( 3.481 3.222 -3.598) 5.953 9.572 ( 3.579 -1.025 -2.073) 4.261 9.848 ( -5.558 -1.784 2.261) 6.259 10.171 ( -3.195 0.176 0.923) 3.330 10.362 ( -2.906 -0.111 -2.695) 3.965 10.888 ( -2.318 -24.074 2.735) 24.339 11.091 ( 4.456 -22.087 -3.174) 22.754 11.401 ( -2.117 -1.003 0.276) 2.358 11.634 ( -0.003 -0.589 0.157) 0.610 11.797 ( 0.503 -0.299 1.361) 1.481 11.941 ( -2.979 1.683 2.460) 4.215 12.124 ( -2.142 7.569 -0.693) 7.897 12.378 ( -6.611 10.848 -0.585) 12.717 12.460 ( -2.460 -7.080 -3.834) 8.419 12.569 ( 3.191 -9.107 1.956) 9.846 12.950 ( 1.251 4.138 -2.299) 4.896 13.171 ( 3.537 4.702 3.140) 6.669 13.446 ( -5.596 -2.437 3.083) 6.838 13.727 ( 5.964 7.453 -11.947) 15.292 13.894 ( 1.547 8.176 6.530) 10.577 14.096 ( -9.115 5.730 -0.041) 10.766 14.288 ( 2.917 -0.487 2.159) 3.662 14.854 ( 5.062 7.054 -4.666) 9.857 15.396 ( -12.460 3.221 3.098) 13.237 15.625 ( -18.031 4.760 0.136) 18.649 16.035 ( 16.869 -13.028 3.099) 21.538 16.228 ( 11.894 -6.595 -1.977) 13.743 17.880 ( -3.556 7.877 -0.761) 8.675 18.274 ( 6.406 4.320 0.167) 7.728 18.749 ( -0.755 -0.873 -0.450) 1.239 18.957 ( -2.723 -6.218 0.895) 6.847 ======================= Grid point 17 (12/141) ======================= q-point: (-0.40 0.10 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.262 ( -15.249 20.514 -3.099) 25.748 2.778 ( -24.912 15.704 5.913) 30.036 3.026 ( -7.153 0.969 -2.095) 7.516 3.301 ( -2.797 13.922 3.200) 14.556 3.490 ( -1.005 -0.466 -1.178) 1.617 3.763 ( -1.427 4.112 -5.035) 6.655 3.777 ( -0.530 4.343 -0.613) 4.418 3.949 ( 2.924 -1.785 4.910) 5.987 4.102 ( -1.198 -0.807 2.289) 2.707 4.271 ( 2.272 -2.890 -3.351) 4.975 4.472 ( -3.572 -1.034 -2.239) 4.341 4.614 ( -15.823 12.198 -4.457) 20.470 4.698 ( 6.324 -5.774 2.670) 8.970 4.830 ( 0.965 0.128 0.738) 1.222 4.923 ( -13.038 10.644 -0.165) 16.831 5.097 ( -6.614 3.788 1.638) 7.796 5.176 ( -6.838 8.406 1.158) 10.898 5.544 ( -5.245 3.833 2.544) 6.976 5.673 ( 4.467 2.626 -0.815) 5.245 6.081 ( -3.380 -5.674 0.604) 6.632 6.265 ( 6.803 -6.620 -4.749) 10.614 6.375 ( 7.374 -13.630 -2.633) 15.719 6.407 ( 3.603 -2.288 -1.794) 4.629 6.518 ( 6.498 -13.104 1.612) 14.715 6.608 ( 5.999 -4.425 1.461) 7.596 6.846 ( 1.492 -2.946 6.504) 7.294 7.015 ( 4.732 2.420 -5.604) 7.723 7.101 ( 5.183 0.807 4.179) 6.707 7.189 ( -0.626 1.912 4.614) 5.033 7.315 ( -3.370 7.054 -7.756) 11.012 7.804 ( 2.420 3.302 0.987) 4.212 7.954 ( 0.696 0.360 -0.709) 1.057 8.421 ( 13.728 -7.746 4.123) 16.293 8.627 ( 13.330 -2.309 1.462) 13.608 8.741 ( -1.185 -2.735 -2.621) 3.969 8.769 ( 1.727 -1.007 -0.641) 2.100 8.871 ( -0.178 -2.708 -2.922) 3.988 8.962 ( -0.396 -1.842 0.953) 2.111 9.142 ( -0.962 2.627 2.819) 3.972 9.222 ( 5.648 6.824 -2.380) 9.172 9.280 ( -2.563 -5.219 3.670) 6.875 9.452 ( 4.605 5.392 -1.994) 7.366 9.690 ( 5.837 -6.030 -2.305) 8.703 9.747 ( -11.211 -7.062 2.735) 13.529 10.097 ( -4.033 1.445 0.114) 4.285 10.270 ( -2.630 0.440 -1.073) 2.875 11.188 ( 4.268 -18.450 3.266) 19.217 11.367 ( 1.276 -6.171 -1.635) 6.511 11.412 ( 1.551 -8.816 -0.498) 8.965 11.617 ( -0.564 1.670 -1.403) 2.253 11.808 ( 4.051 -1.543 2.229) 4.875 11.957 ( 5.007 -3.427 2.492) 6.559 12.090 ( -3.405 8.811 -3.562) 10.095 12.220 ( 6.598 -5.212 0.386) 8.417 12.531 ( -2.325 -9.608 -2.089) 10.103 12.700 ( 1.130 -7.203 1.785) 7.507 12.881 ( -2.839 5.485 -2.588) 6.697 13.202 ( 4.046 5.515 2.980) 7.461 13.315 ( -11.933 2.800 4.752) 13.146 13.699 ( 1.497 3.224 -11.397) 11.939 13.797 ( -12.678 9.350 3.460) 16.128 13.819 ( -0.965 12.993 -0.271) 13.031 14.335 ( 1.514 -0.184 2.940) 3.312 14.787 ( 0.735 12.640 -7.676) 14.806 15.124 ( -12.285 6.743 6.296) 15.363 15.255 ( -15.693 4.986 0.554) 16.475 16.505 ( 12.408 -10.704 -0.121) 16.387 16.577 ( 18.809 -16.790 1.090) 25.237 17.706 ( -5.383 7.883 -2.819) 9.953 18.358 ( 6.428 3.415 2.064) 7.566 18.695 ( -2.860 3.044 -1.472) 4.428 18.957 ( -4.154 -4.198 3.044) 6.644 ======================= Grid point 18 (13/141) ======================= q-point: (-0.30 0.10 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( -19.692 23.764 -2.127) 30.936 2.147 ( -25.513 23.013 7.498) 35.167 2.788 ( -12.379 8.250 -8.675) 17.221 3.160 ( 0.892 13.543 7.185) 15.356 3.434 ( -5.843 4.915 4.428) 8.827 3.661 ( -11.394 15.115 -4.695) 19.502 3.697 ( -1.258 5.009 -2.223) 5.623 3.741 ( -22.695 23.157 -4.924) 32.795 3.937 ( -7.148 12.480 2.046) 14.527 4.117 ( -1.899 -6.098 4.336) 7.720 4.206 ( -24.883 31.075 -3.941) 40.005 4.335 ( 0.326 -1.703 -2.005) 2.651 4.484 ( 3.447 -3.408 -2.384) 5.402 4.829 ( -7.606 6.632 2.595) 10.419 4.916 ( 7.179 -4.988 -1.012) 8.800 5.085 ( 3.788 0.697 10.932) 11.591 5.231 ( 4.245 -9.904 -1.627) 10.898 5.460 ( -0.149 -1.158 -0.637) 1.330 5.742 ( 4.915 0.952 -1.198) 5.148 6.008 ( -7.589 -3.515 -0.850) 8.406 6.425 ( 5.232 -4.396 -4.013) 7.924 6.491 ( 4.566 -3.756 -3.449) 6.845 6.678 ( 5.227 -11.567 3.190) 13.088 6.805 ( 2.214 -4.772 5.618) 7.696 6.820 ( 11.364 -7.532 -4.688) 14.417 7.020 ( 10.712 -12.889 5.893) 17.765 7.162 ( 7.991 -8.676 0.167) 11.797 7.217 ( 6.554 -4.036 0.236) 7.700 7.227 ( 3.194 0.543 -5.107) 6.048 7.275 ( 7.849 -8.672 0.026) 11.697 7.814 ( 2.242 2.092 -0.101) 3.068 7.976 ( -0.005 -2.782 0.488) 2.824 8.648 ( -0.177 -8.716 2.040) 8.954 8.726 ( 1.608 -0.814 0.620) 1.906 8.802 ( 0.960 -1.195 -2.243) 2.717 8.820 ( 1.639 -0.905 -0.878) 2.068 8.917 ( 4.048 -2.303 -1.636) 4.936 8.989 ( -0.988 -3.242 1.257) 3.615 9.095 ( -0.512 4.138 3.140) 5.219 9.221 ( -6.213 -3.623 -2.355) 7.568 9.305 ( 10.284 9.130 -0.868) 13.780 9.461 ( 0.169 3.419 1.036) 3.576 9.604 ( -12.075 -7.027 1.435) 14.045 9.892 ( 7.649 -9.207 -2.396) 12.207 10.021 ( -2.170 1.041 0.416) 2.443 10.266 ( 1.256 0.541 1.001) 1.695 11.339 ( 2.132 -1.844 3.406) 4.421 11.384 ( -2.314 -1.609 0.979) 2.983 11.439 ( -1.209 0.576 -2.223) 2.595 11.586 ( 0.302 2.383 -1.577) 2.874 11.997 ( 3.751 -11.848 -2.002) 12.587 12.127 ( 10.033 -10.091 0.339) 14.234 12.160 ( 10.394 5.103 1.586) 11.688 12.420 ( 5.779 -6.586 0.508) 8.777 12.562 ( -0.547 -3.847 -1.763) 4.267 12.688 ( -7.730 6.136 -1.946) 10.059 12.777 ( -3.102 -1.397 2.995) 4.533 12.972 ( -14.642 7.000 0.691) 16.244 13.191 ( -2.176 6.112 5.290) 8.371 13.448 ( -11.943 11.644 -1.337) 16.734 13.645 ( -2.549 9.049 -0.782) 9.433 13.698 ( 0.763 4.074 -4.094) 5.825 14.373 ( 1.329 -0.661 2.558) 2.957 14.586 ( -3.928 11.116 -11.210) 16.268 14.890 ( -9.453 5.129 8.758) 13.869 15.000 ( -6.619 7.435 0.906) 9.995 16.782 ( 8.330 -9.468 -0.458) 12.619 17.092 ( 15.696 -18.474 1.441) 24.284 17.539 ( -3.193 6.639 -3.065) 7.979 18.423 ( 3.391 3.383 2.552) 5.427 18.603 ( -2.195 4.133 -1.765) 5.001 18.923 ( -4.551 -2.753 5.202) 7.439 ======================= Grid point 19 (14/141) ======================= q-point: (-0.20 0.10 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( -17.454 26.425 -0.518) 31.673 1.453 ( -23.042 31.405 8.903) 39.956 2.408 ( -13.169 14.499 -9.100) 21.597 2.529 ( -29.987 56.299 -5.724) 64.044 3.024 ( -2.882 28.272 12.047) 30.866 3.323 ( -8.246 14.257 4.519) 17.079 3.492 ( -8.370 18.564 -7.551) 21.718 3.601 ( -4.630 1.761 -2.669) 5.627 3.634 ( -2.804 2.418 -2.826) 4.658 3.796 ( -1.927 0.259 1.968) 2.766 4.133 ( 0.330 3.137 2.880) 4.271 4.355 ( 0.174 -1.482 -1.082) 1.843 4.580 ( -5.459 0.883 -1.306) 5.682 4.639 ( 1.622 -1.677 1.689) 2.880 5.083 ( 4.070 -4.715 -2.759) 6.812 5.135 ( 1.831 3.019 9.081) 9.743 5.395 ( 2.669 -10.297 -0.569) 10.653 5.555 ( 6.345 -2.605 -2.845) 7.425 5.826 ( 3.657 -2.056 -0.263) 4.204 5.931 ( -6.085 -7.235 -0.295) 9.458 6.509 ( 2.931 0.228 -1.070) 3.129 6.601 ( 3.678 -4.984 -5.093) 8.018 6.743 ( -4.837 -5.555 3.745) 8.263 6.841 ( 0.755 2.761 0.732) 2.954 6.980 ( 3.928 -1.478 2.210) 4.743 7.188 ( 0.405 2.185 -1.262) 2.555 7.435 ( 14.316 -14.262 2.106) 20.318 7.514 ( 8.630 -22.308 -1.210) 23.950 7.587 ( 14.713 -15.059 0.106) 21.054 7.594 ( 10.556 -19.626 -0.813) 22.300 7.845 ( 2.504 -0.353 -0.496) 2.577 8.015 ( 0.530 -4.083 -0.169) 4.121 8.679 ( -3.457 -5.427 0.059) 6.434 8.746 ( -6.625 -1.057 0.528) 6.730 8.760 ( 1.139 -0.965 1.048) 1.824 8.854 ( -0.958 -4.475 -2.114) 5.041 8.954 ( 0.047 2.084 -0.636) 2.179 8.991 ( -1.316 3.327 1.370) 3.831 9.047 ( -2.485 2.325 -1.282) 3.636 9.121 ( -5.262 -3.231 1.177) 6.286 9.306 ( -13.103 -5.940 -2.307) 14.570 9.444 ( 11.330 9.026 0.033) 14.486 9.523 ( 1.284 7.215 1.517) 7.484 10.003 ( 2.322 3.686 -1.230) 4.527 10.119 ( 5.765 -11.351 -0.879) 12.762 10.231 ( -4.823 6.663 2.899) 8.721 11.279 ( -2.819 11.786 -1.429) 12.202 11.386 ( -1.942 -2.709 1.776) 3.777 11.477 ( 4.793 0.193 0.799) 4.863 11.575 ( 0.817 1.001 -0.813) 1.526 11.903 ( -9.530 19.676 0.859) 21.879 12.199 ( -0.899 -10.760 -0.963) 10.840 12.385 ( 2.380 -11.731 -0.028) 11.970 12.515 ( -1.992 7.665 -2.830) 8.410 12.548 ( 10.277 -0.381 -0.612) 10.302 12.672 ( -4.885 -3.710 2.489) 6.620 12.687 ( 5.218 -3.912 0.553) 6.546 12.927 ( 5.280 3.531 1.472) 6.520 13.042 ( -5.674 4.406 -0.316) 7.190 13.133 ( -9.511 10.379 0.500) 14.087 13.412 ( -9.419 13.065 3.391) 16.460 13.727 ( 2.727 -1.704 -2.824) 4.280 14.395 ( -1.276 -1.175 1.771) 2.479 14.458 ( 1.600 1.564 -6.617) 6.985 14.725 ( -5.449 5.946 6.439) 10.320 14.844 ( -2.258 9.006 0.594) 9.304 16.992 ( 4.650 -8.610 -0.392) 9.793 17.445 ( 0.060 3.160 -4.050) 5.137 17.491 ( 7.949 -14.599 3.427) 16.973 18.419 ( -0.338 2.682 1.122) 2.927 18.531 ( -0.622 4.498 -1.110) 4.674 18.901 ( -2.751 -2.202 6.504) 7.398 ======================= Grid point 20 (15/141) ======================= q-point: (-0.10 0.10 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.612 ( -0.000 30.034 -0.000) 30.034 0.832 ( -0.000 39.888 -0.000) 39.888 1.505 ( -0.000 71.643 -0.000) 71.643 2.126 ( -0.000 11.611 -0.000) 11.611 2.555 ( -0.000 40.788 -0.000) 40.788 3.138 ( -0.000 8.940 -0.000) 8.940 3.365 ( -0.000 6.289 -0.000) 6.289 3.511 ( -0.000 1.221 -0.000) 1.221 3.579 ( -0.000 2.110 -0.000) 2.110 3.834 ( 0.000 -5.148 0.000) 5.148 4.089 ( -0.000 5.827 -0.000) 5.827 4.366 ( 0.000 -0.853 0.000) 0.853 4.464 ( -0.000 3.353 -0.000) 3.353 4.743 ( 0.000 -6.773 0.000) 6.773 5.102 ( -0.000 1.866 -0.000) 1.866 5.191 ( 0.000 -3.128 0.000) 3.128 5.524 ( 0.000 -7.709 0.000) 7.709 5.632 ( 0.000 -1.054 0.000) 1.054 5.878 ( 0.000 -1.479 0.000) 1.479 5.966 ( 0.000 -9.345 0.000) 9.345 6.523 ( -0.000 1.593 -0.000) 1.593 6.671 ( 0.000 -2.866 0.000) 2.866 6.743 ( 0.000 -4.502 0.000) 4.502 6.804 ( -0.000 3.763 -0.000) 3.763 7.102 ( 0.000 -6.358 0.000) 6.358 7.121 ( -0.000 4.401 -0.000) 4.401 7.790 ( 0.000 -14.242 0.000) 14.242 7.793 ( 0.000 -14.384 0.000) 14.384 7.834 ( 0.000 -16.324 0.000) 16.324 7.927 ( 0.000 -15.800 0.000) 15.800 7.960 ( 0.000 -10.877 0.000) 10.877 8.067 ( 0.000 -4.944 0.000) 4.944 8.627 ( -0.000 3.527 -0.000) 3.527 8.719 ( 0.000 -7.380 0.000) 7.380 8.785 ( -0.000 1.042 -0.000) 1.042 8.829 ( 0.000 -0.796 0.000) 0.796 8.895 ( -0.000 7.263 -0.000) 7.263 8.922 ( 0.000 -1.918 0.000) 1.918 9.009 ( -0.000 0.850 -0.000) 0.850 9.112 ( -0.000 2.166 -0.000) 2.166 9.209 ( 0.000 -8.316 0.000) 8.316 9.453 ( -0.000 9.997 -0.000) 9.997 9.505 ( -0.000 10.254 -0.000) 10.254 9.841 ( -0.000 32.655 -0.000) 32.655 10.074 ( -0.000 1.361 -0.000) 1.361 10.289 ( 0.000 -10.054 0.000) 10.054 11.053 ( -0.000 13.914 -0.000) 13.914 11.403 ( 0.000 -5.664 0.000) 5.664 11.567 ( 0.000 -2.480 0.000) 2.480 11.587 ( 0.000 -0.698 0.000) 0.698 11.739 ( -0.000 3.882 -0.000) 3.882 12.244 ( 0.000 -1.704 0.000) 1.704 12.402 ( -0.000 2.479 -0.000) 2.479 12.546 ( 0.000 -8.989 0.000) 8.989 12.601 ( -0.000 2.052 -0.000) 2.052 12.691 ( 0.000 -0.775 0.000) 0.775 12.772 ( -0.000 2.511 -0.000) 2.511 12.863 ( 0.000 -2.483 0.000) 2.483 12.957 ( -0.000 6.081 -0.000) 6.081 13.090 ( -0.000 2.925 -0.000) 2.925 13.136 ( -0.000 12.076 -0.000) 12.076 13.776 ( 0.000 -2.105 0.000) 2.105 14.409 ( 0.000 -2.915 0.000) 2.915 14.491 ( 0.000 -3.601 0.000) 3.601 14.617 ( -0.000 6.859 -0.000) 6.859 14.731 ( -0.000 8.343 -0.000) 8.343 17.113 ( 0.000 -6.420 0.000) 6.420 17.414 ( -0.000 1.949 -0.000) 1.949 17.702 ( 0.000 -10.443 0.000) 10.443 18.394 ( -0.000 1.242 -0.000) 1.242 18.476 ( -0.000 4.411 -0.000) 4.411 18.908 ( 0.000 -1.804 0.000) 1.804 ======================= Grid point 23 (16/141) ======================= q-point: ( 0.20 0.20 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.331 ( 29.536 -0.000 7.696) 30.523 2.689 ( 26.661 -0.000 8.816) 28.081 2.895 ( 15.532 -0.000 -11.132) 19.109 3.231 ( 2.334 -0.000 -1.034) 2.552 3.510 ( -0.874 0.000 -7.631) 7.681 3.646 ( 9.921 -0.000 1.170) 9.990 3.794 ( 2.091 -0.000 7.143) 7.443 3.903 ( 1.793 -0.000 -2.450) 3.036 4.217 ( -7.884 0.000 -8.682) 11.727 4.353 ( 5.365 -0.000 -1.660) 5.616 4.357 ( 3.673 -0.000 9.210) 9.915 4.498 ( -2.605 0.000 -8.703) 9.084 4.513 ( 29.628 -0.000 4.905) 30.031 4.855 ( -6.824 0.000 3.041) 7.471 4.930 ( 16.181 -0.000 -1.283) 16.232 5.045 ( -1.528 0.000 1.441) 2.100 5.324 ( 2.670 -0.000 -0.939) 2.830 5.473 ( 5.237 -0.000 -7.761) 9.363 5.570 ( 0.187 -0.000 7.181) 7.184 6.127 ( 0.923 -0.000 -5.799) 5.872 6.224 ( -18.834 0.000 -1.161) 18.869 6.254 ( -17.428 0.000 2.955) 17.677 6.502 ( -7.044 0.000 2.004) 7.324 6.589 ( -6.036 0.000 7.627) 9.727 6.696 ( -9.974 0.000 -2.381) 10.254 6.860 ( -0.587 0.000 -3.577) 3.625 6.967 ( 4.362 -0.000 -6.600) 7.912 7.087 ( -2.472 0.000 -1.891) 3.112 7.187 ( 0.371 -0.000 2.756) 2.781 7.214 ( 2.690 -0.000 9.960) 10.317 7.840 ( 3.109 -0.000 0.753) 3.199 7.922 ( -3.881 0.000 -0.297) 3.892 8.588 ( -3.075 0.000 2.190) 3.775 8.639 ( 0.261 -0.000 1.053) 1.085 8.705 ( -2.070 0.000 1.289) 2.438 8.809 ( -4.582 0.000 -2.702) 5.319 8.846 ( -0.712 0.000 -5.336) 5.384 9.027 ( 0.580 -0.000 3.234) 3.286 9.090 ( -3.391 0.000 -0.213) 3.398 9.239 ( -4.307 0.000 1.247) 4.484 9.350 ( 4.258 -0.000 -6.854) 8.068 9.458 ( -2.919 0.000 1.986) 3.531 9.655 ( -7.017 0.000 -2.785) 7.550 9.679 ( 0.074 -0.000 4.402) 4.403 10.005 ( -1.074 0.000 2.640) 2.850 10.053 ( -2.782 0.000 -5.545) 6.204 11.031 ( -14.691 0.000 0.205) 14.693 11.061 ( -15.727 0.000 -0.812) 15.748 11.505 ( -1.758 0.000 1.155) 2.104 11.533 ( 2.763 -0.000 -0.297) 2.779 12.021 ( 0.837 -0.000 2.557) 2.691 12.049 ( 0.073 -0.000 -0.350) 0.358 12.202 ( -11.415 0.000 -3.528) 11.948 12.314 ( -13.298 0.000 1.839) 13.424 12.914 ( 9.417 -0.000 -0.884) 9.458 12.942 ( -0.976 0.000 0.070) 0.978 13.045 ( -6.153 0.000 0.410) 6.167 13.119 ( 3.064 -0.000 0.900) 3.193 13.390 ( -7.199 0.000 4.596) 8.541 13.634 ( 25.106 -0.000 -10.598) 27.251 13.780 ( 12.629 -0.000 16.302) 20.622 13.869 ( 16.276 -0.000 -14.029) 21.488 14.316 ( 2.071 -0.000 14.804) 14.948 14.479 ( 6.750 -0.000 -15.070) 16.513 15.105 ( 9.258 -0.000 3.202) 9.796 15.345 ( 14.886 -0.000 0.557) 14.897 16.526 ( -15.632 0.000 -1.518) 15.705 16.546 ( -26.688 0.000 0.479) 26.692 17.885 ( 15.758 -0.000 8.848) 18.072 18.500 ( -0.985 0.000 1.060) 1.447 18.568 ( 2.620 -0.000 -0.675) 2.706 18.620 ( -3.236 0.000 -10.342) 10.837 ======================= Grid point 24 (17/141) ======================= q-point: ( 0.30 0.20 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.785 ( 19.771 6.593 8.767) 22.610 3.129 ( 11.076 -3.729 -7.433) 13.850 3.177 ( 19.274 -8.830 6.326) 22.125 3.261 ( 1.657 1.528 0.438) 2.297 3.481 ( 1.007 -0.014 -10.551) 10.599 3.766 ( 3.975 1.114 4.245) 5.921 3.872 ( 3.332 0.574 1.914) 3.885 3.925 ( 2.174 -1.525 -0.717) 2.751 4.059 ( -4.216 4.123 -6.925) 9.096 4.271 ( -7.460 2.698 2.257) 8.248 4.378 ( -4.170 -4.404 4.048) 7.292 4.426 ( -4.546 -4.449 -4.138) 7.588 4.676 ( -9.535 3.013 -0.640) 10.020 4.763 ( -5.138 -2.277 0.176) 5.623 5.155 ( 10.867 -3.131 0.478) 11.319 5.175 ( 6.239 -4.095 0.039) 7.463 5.464 ( 5.946 5.037 2.700) 8.247 5.520 ( 7.040 -0.880 0.437) 7.108 5.628 ( 1.935 -2.861 0.920) 3.574 5.886 ( -17.001 -3.239 -2.910) 17.549 5.992 ( -11.229 -1.178 -1.450) 11.383 6.154 ( 1.104 -3.189 -4.290) 5.458 6.439 ( -0.194 1.652 1.321) 2.124 6.506 ( -5.514 2.077 3.851) 7.039 6.634 ( 3.190 0.478 1.623) 3.611 6.807 ( -1.166 1.451 -10.808) 10.967 7.043 ( -1.654 0.261 -0.514) 1.751 7.160 ( 12.022 1.192 6.302) 13.626 7.261 ( 11.595 3.379 -1.192) 12.136 7.343 ( 5.742 -3.266 9.780) 11.803 7.843 ( -3.516 0.875 0.663) 3.684 7.975 ( 11.279 0.319 1.219) 11.349 8.454 ( -8.382 12.508 -5.415) 16.001 8.549 ( -4.362 10.780 3.822) 12.241 8.674 ( -1.851 -1.044 -1.459) 2.577 8.760 ( 2.278 -1.185 -1.397) 2.923 8.844 ( -1.029 -3.315 -3.062) 4.628 8.974 ( -3.098 -4.028 1.884) 5.420 9.104 ( -5.032 -0.161 1.351) 5.212 9.170 ( -0.590 -2.177 3.890) 4.496 9.281 ( -5.172 7.967 -0.784) 9.531 9.441 ( 3.230 -1.430 -6.900) 7.752 9.587 ( 1.034 4.102 1.145) 4.382 9.806 ( 2.955 -11.103 4.470) 12.329 10.016 ( 0.717 -2.282 -2.248) 3.282 10.061 ( 3.934 -6.156 -2.068) 7.593 10.731 ( -19.021 -3.421 -1.559) 19.389 10.761 ( -20.211 -5.519 0.608) 20.960 11.455 ( -2.968 0.991 -0.141) 3.133 11.580 ( 1.825 -0.952 -0.206) 2.069 11.932 ( -4.441 6.392 1.293) 7.890 12.038 ( -5.933 4.145 -0.229) 7.242 12.125 ( -3.959 -9.635 1.909) 10.590 12.170 ( -2.375 -8.903 -0.935) 9.262 12.827 ( -6.409 8.511 0.087) 10.655 12.854 ( -6.214 9.573 -1.182) 11.475 13.028 ( 5.663 3.391 -1.998) 6.897 13.204 ( 4.759 1.115 1.444) 5.097 13.334 ( -5.696 -7.429 5.518) 10.866 13.866 ( 10.093 4.242 -20.069) 22.861 13.983 ( 7.215 4.758 15.452) 17.705 14.085 ( 6.940 -3.371 5.389) 9.411 14.391 ( 7.070 9.809 1.555) 12.191 14.670 ( 13.243 -10.126 -12.308) 20.722 15.252 ( 4.119 -2.896 2.622) 5.677 15.609 ( 10.999 -2.755 3.362) 11.827 16.122 ( -18.706 2.556 5.987) 19.807 16.224 ( -14.775 1.759 -5.647) 15.915 18.138 ( 11.560 8.562 4.849) 15.180 18.429 ( 0.203 9.751 -3.382) 10.323 18.535 ( 0.426 -6.513 0.685) 6.563 18.709 ( -0.876 -12.303 -3.243) 12.753 ======================= Grid point 25 (18/141) ======================= q-point: (-0.60 0.20 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.926 ( 5.216 12.812 4.758) 14.628 3.181 ( -4.732 4.049 -0.494) 6.248 3.285 ( -1.612 -0.958 2.581) 3.191 3.444 ( 4.729 -2.421 -8.792) 10.273 3.553 ( 4.629 0.467 -0.578) 4.689 3.826 ( 0.334 1.196 4.132) 4.315 3.899 ( 2.335 0.533 -1.096) 2.634 3.948 ( 1.544 7.953 2.473) 8.471 4.013 ( 6.314 -1.988 -2.235) 6.987 4.152 ( -4.353 -3.260 -2.179) 5.858 4.369 ( -1.614 -5.076 3.865) 6.581 4.439 ( 1.326 -6.099 -1.426) 6.402 4.504 ( -6.462 -2.632 -0.137) 6.979 4.702 ( -4.029 -3.582 -3.104) 6.221 5.235 ( -2.546 -0.139 6.965) 7.417 5.305 ( 3.164 -1.710 0.808) 3.686 5.456 ( 0.684 0.347 1.118) 1.356 5.551 ( -2.940 1.439 -3.086) 4.499 5.734 ( -5.078 -9.176 -4.544) 11.429 5.786 ( 1.532 -8.861 1.901) 9.191 5.895 ( 1.060 -2.258 -4.381) 5.042 6.165 ( -2.599 -2.040 -2.343) 4.050 6.364 ( -3.657 7.015 4.923) 9.318 6.440 ( -1.016 -0.955 -3.163) 3.456 6.707 ( 1.602 3.549 -8.908) 9.722 6.775 ( 3.865 -0.174 3.966) 5.540 7.030 ( 0.164 -1.136 -0.754) 1.373 7.255 ( 2.839 4.478 9.403) 10.795 7.362 ( -0.818 7.683 6.433) 10.054 7.596 ( 10.713 1.341 -7.406) 13.093 7.815 ( 5.131 4.106 7.663) 10.095 8.121 ( -2.250 10.088 -6.540) 12.231 8.249 ( 15.993 5.422 -1.052) 16.920 8.331 ( -4.627 10.882 4.838) 12.776 8.672 ( -2.561 -4.824 -2.215) 5.893 8.781 ( -1.759 1.013 -1.339) 2.432 8.864 ( 2.681 1.316 -0.853) 3.106 8.979 ( -7.623 -3.913 1.375) 8.678 9.031 ( -1.773 -9.779 1.881) 10.115 9.139 ( -1.082 -0.181 -2.223) 2.478 9.240 ( 1.937 0.932 5.317) 5.735 9.473 ( 2.041 0.026 -6.627) 6.934 9.602 ( 4.878 4.946 1.533) 7.114 9.856 ( -4.362 1.863 1.690) 5.035 10.140 ( 3.161 -4.199 0.948) 5.341 10.272 ( 7.732 -9.407 -2.678) 12.468 10.461 ( -17.134 -12.977 0.991) 21.517 10.596 ( -5.156 -20.486 -1.717) 21.195 11.395 ( -2.609 0.273 -0.349) 2.647 11.613 ( 0.799 -1.013 -0.047) 1.291 11.831 ( -0.960 3.098 1.493) 3.570 11.943 ( -0.855 -0.528 0.896) 1.346 12.129 ( -6.339 -6.194 0.939) 8.912 12.239 ( -4.831 -12.080 -2.159) 13.188 12.595 ( -3.645 13.577 1.707) 14.162 12.682 ( -1.183 10.167 -2.599) 10.561 13.046 ( 2.187 4.703 -2.347) 5.693 13.263 ( 3.840 2.152 0.454) 4.425 13.342 ( -3.812 -5.969 5.134) 8.748 13.860 ( 1.811 3.945 -18.445) 18.948 14.046 ( 1.537 6.025 11.940) 13.462 14.193 ( -1.272 0.360 18.638) 18.685 14.372 ( 6.809 12.942 -14.085) 20.303 14.958 ( 12.889 0.199 -6.382) 14.384 15.319 ( -4.792 -9.559 -0.232) 10.695 15.672 ( -12.156 0.305 4.683) 13.030 15.907 ( -1.249 1.325 6.815) 7.054 16.107 ( 5.786 -5.070 -5.083) 9.220 18.105 ( -0.643 13.467 1.530) 13.569 18.396 ( 5.788 7.088 -1.814) 9.329 18.661 ( 2.211 -8.198 1.161) 8.570 18.779 ( -3.084 -9.686 -1.475) 10.272 ======================= Grid point 26 (19/141) ======================= q-point: (-0.50 0.20 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.713 ( -9.580 21.681 0.043) 23.704 3.054 ( -4.867 1.712 0.277) 5.167 3.073 ( -14.618 12.964 6.456) 20.577 3.491 ( 2.286 0.639 -7.119) 7.505 3.538 ( 1.048 8.013 -1.328) 8.189 3.789 ( -2.716 -0.406 0.763) 2.850 3.881 ( -2.514 -0.586 1.325) 2.902 3.914 ( 1.486 6.611 1.051) 6.857 4.138 ( 1.142 -0.025 -1.127) 1.605 4.202 ( 5.325 -2.185 0.143) 5.758 4.430 ( -2.497 -3.123 -1.989) 4.466 4.515 ( 5.409 -10.698 4.686) 12.871 4.613 ( 5.955 -6.658 0.505) 8.947 4.703 ( 0.884 -6.835 -3.830) 7.885 5.129 ( -6.749 7.358 5.490) 11.395 5.300 ( -5.610 6.077 2.263) 8.574 5.337 ( -6.240 6.857 -4.231) 10.191 5.605 ( 0.905 1.490 -4.049) 4.409 5.701 ( -1.589 -3.882 2.942) 5.124 5.907 ( 2.542 -9.245 -2.807) 9.990 6.011 ( 2.706 -14.795 -2.616) 15.266 6.129 ( 1.043 -4.527 -2.433) 5.244 6.334 ( 2.176 -1.148 4.488) 5.118 6.407 ( -1.909 -0.487 -2.687) 3.332 6.643 ( 0.586 4.221 -6.604) 7.860 6.840 ( -0.001 0.840 7.817) 7.862 7.059 ( 1.486 -1.294 -2.638) 3.293 7.175 ( -3.907 10.110 1.739) 10.977 7.286 ( 2.500 6.423 9.107) 11.421 7.491 ( -6.543 8.817 -4.311) 11.795 7.855 ( 2.374 2.861 -0.774) 3.797 8.075 ( -4.598 11.416 0.073) 12.307 8.295 ( 15.324 -4.505 0.832) 15.994 8.599 ( 16.578 -0.251 2.384) 16.750 8.655 ( -3.175 -6.108 -2.642) 7.373 8.723 ( -4.706 -3.490 -0.155) 5.861 8.859 ( -1.216 1.472 -3.780) 4.235 8.893 ( -4.819 -4.571 3.160) 7.356 9.135 ( -2.285 -8.173 0.647) 8.511 9.169 ( 1.511 -1.625 2.422) 3.285 9.281 ( 1.173 -2.005 1.696) 2.876 9.495 ( 1.710 -3.008 -4.764) 5.888 9.638 ( 0.790 4.724 0.849) 4.865 9.709 ( -3.476 4.023 0.816) 5.379 10.111 ( -5.865 0.153 1.291) 6.008 10.236 ( -3.624 -2.833 -1.405) 4.810 10.723 ( 11.552 -22.055 0.022) 24.898 10.950 ( 11.171 -25.951 -0.855) 28.266 11.361 ( -1.007 -0.249 0.393) 1.109 11.623 ( -0.413 -0.220 -0.343) 0.580 11.861 ( 4.745 2.880 2.258) 5.992 11.953 ( 0.465 1.667 0.932) 1.966 12.106 ( -0.256 -7.144 -0.579) 7.172 12.193 ( -6.648 -3.939 -3.214) 8.369 12.462 ( 0.508 5.789 1.085) 5.912 12.636 ( 3.391 2.688 -1.538) 4.592 12.998 ( -0.881 5.321 -2.862) 6.105 13.300 ( -1.165 -1.268 -4.200) 4.540 13.338 ( 0.725 3.892 11.309) 11.982 13.747 ( -5.136 1.543 -14.831) 15.770 13.984 ( -4.627 8.224 8.928) 12.990 14.122 ( -1.769 14.576 10.481) 18.040 14.345 ( 4.024 3.144 -9.052) 10.393 15.040 ( 4.425 10.600 0.797) 11.514 15.221 ( -13.002 1.107 -4.180) 13.702 15.364 ( -11.425 5.236 1.404) 12.646 16.155 ( 12.195 -18.006 5.073) 22.330 16.331 ( 9.051 -9.741 -2.061) 13.456 17.927 ( -3.389 13.237 0.594) 13.677 18.447 ( 6.503 4.753 0.311) 8.061 18.719 ( -1.187 -0.838 -1.576) 2.143 18.806 ( -4.716 -9.830 1.029) 10.951 ======================= Grid point 27 (20/141) ======================= q-point: (-0.40 0.20 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.222 ( -16.360 25.166 -0.046) 30.016 2.631 ( -15.001 23.983 7.692) 29.315 2.929 ( -5.476 5.677 -5.669) 9.713 3.441 ( 1.557 12.197 0.701) 12.316 3.486 ( -0.356 2.130 2.087) 3.003 3.712 ( -3.323 1.655 -3.378) 5.020 3.812 ( -2.768 5.516 0.538) 6.194 3.942 ( -3.490 -8.243 2.943) 9.423 4.089 ( -1.344 7.892 -1.511) 8.147 4.263 ( 0.613 -2.292 0.231) 2.384 4.445 ( 2.071 2.037 -2.597) 3.897 4.532 ( -9.452 20.484 -4.255) 22.957 4.736 ( 0.388 0.831 -2.300) 2.476 4.796 ( -4.928 8.270 3.051) 10.099 4.906 ( 3.442 -3.349 0.214) 4.807 5.073 ( -2.891 6.705 0.657) 7.332 5.183 ( -2.391 5.559 4.959) 7.823 5.477 ( -5.840 2.753 0.169) 6.458 5.762 ( 1.577 0.161 -0.029) 1.585 5.924 ( -6.157 -4.333 -3.651) 8.368 6.252 ( 6.077 -13.865 -3.292) 15.492 6.386 ( 7.626 -12.446 1.526) 14.676 6.425 ( 3.300 -5.153 -0.604) 6.149 6.495 ( 6.730 -18.469 1.098) 19.688 6.665 ( 5.919 -3.477 -2.337) 7.251 6.856 ( 1.587 -2.145 5.777) 6.363 7.067 ( 1.277 0.123 -3.115) 3.369 7.137 ( 1.337 -3.559 1.633) 4.138 7.280 ( -1.085 6.552 2.108) 6.968 7.313 ( 0.463 5.455 -0.798) 5.533 7.863 ( 0.299 0.669 0.471) 0.871 7.938 ( -3.502 1.053 0.170) 3.661 8.513 ( 3.405 -4.092 -2.240) 5.775 8.645 ( -4.167 -7.970 -1.747) 9.162 8.697 ( -2.990 -6.075 0.000) 6.771 8.827 ( 0.792 -0.533 -2.275) 2.467 8.886 ( 6.543 -3.192 1.150) 7.370 8.897 ( 0.504 -4.093 4.249) 5.921 9.092 ( -9.785 -6.002 -0.729) 11.502 9.168 ( -0.782 2.322 4.339) 4.983 9.311 ( -7.125 -8.642 -2.201) 11.415 9.500 ( -0.306 2.457 -0.916) 2.639 9.618 ( 7.474 1.912 -0.234) 7.718 9.745 ( 3.973 -1.084 0.504) 4.148 10.044 ( 0.189 1.528 0.124) 1.544 10.250 ( 1.445 -0.960 -0.168) 1.743 11.119 ( 8.171 -15.793 0.678) 17.795 11.356 ( 8.937 -12.579 -0.860) 15.454 11.378 ( 2.677 -0.643 1.411) 3.093 11.610 ( -0.372 -0.051 -1.546) 1.591 11.855 ( 1.256 0.492 1.139) 1.765 11.971 ( -2.672 -1.216 -2.226) 3.684 12.187 ( 11.003 -5.924 -0.626) 12.512 12.299 ( 6.329 -4.425 0.934) 7.779 12.492 ( 4.160 -1.229 0.451) 4.361 12.705 ( 6.693 -0.196 -1.946) 6.972 12.891 ( -3.213 6.040 -1.855) 7.088 13.142 ( -12.169 8.103 2.200) 14.784 13.354 ( 1.783 8.432 7.580) 11.478 13.590 ( -6.303 0.341 -9.947) 11.781 13.779 ( -6.227 11.688 2.529) 13.482 13.952 ( -3.411 14.772 3.677) 15.600 14.366 ( 1.520 0.095 -1.299) 2.001 14.817 ( -13.427 8.762 -14.344) 21.513 15.000 ( -5.379 6.550 12.873) 15.413 15.204 ( 0.186 12.205 -0.625) 12.222 16.557 ( 7.313 -13.249 0.023) 15.134 16.640 ( 11.062 -23.350 0.840) 25.852 17.735 ( -3.051 12.225 0.004) 12.600 18.506 ( 3.758 4.047 1.896) 5.839 18.667 ( -2.225 1.847 -2.173) 3.617 18.812 ( -4.958 -7.622 1.898) 9.289 ======================= Grid point 28 (21/141) ======================= q-point: (-0.30 0.20 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( -13.241 28.165 0.459) 31.126 2.114 ( -12.276 32.291 6.712) 35.192 2.691 ( -6.881 13.430 -7.618) 16.904 3.378 ( 4.117 11.381 3.850) 12.700 3.449 ( -1.794 9.743 5.016) 11.104 3.636 ( -4.094 6.785 -0.940) 7.980 3.664 ( -8.376 11.816 -2.365) 14.675 3.760 ( -3.834 22.061 -3.704) 22.696 3.852 ( -9.991 12.468 -0.512) 15.985 4.160 ( -3.670 13.818 -0.258) 14.299 4.213 ( -6.073 25.415 -1.856) 26.196 4.317 ( -0.309 -1.427 0.086) 1.463 4.530 ( 5.520 1.866 -2.024) 6.168 4.790 ( -7.826 10.900 2.059) 13.576 4.961 ( 4.443 -6.376 -1.075) 7.845 5.143 ( 2.603 -10.081 6.336) 12.188 5.226 ( 2.008 1.347 2.641) 3.581 5.450 ( 4.220 -6.733 -2.838) 8.438 5.749 ( -6.406 -5.130 -0.689) 8.235 5.849 ( -1.454 -0.491 -2.200) 2.682 6.440 ( 4.019 -7.806 -3.699) 9.527 6.503 ( 2.587 -4.987 -1.705) 5.872 6.583 ( -2.403 -9.575 4.848) 10.998 6.799 ( 3.920 -14.877 3.217) 15.718 6.878 ( 4.386 -6.125 -3.059) 8.131 7.053 ( 9.050 -14.713 1.438) 17.333 7.163 ( 3.888 -11.391 0.706) 12.056 7.244 ( 2.174 -7.597 -0.749) 7.937 7.268 ( 4.024 -4.332 -1.054) 6.006 7.322 ( 4.341 -2.261 1.043) 5.004 7.854 ( -0.068 0.456 -0.185) 0.497 7.922 ( -1.668 -5.127 0.846) 5.457 8.556 ( -0.841 -4.188 -1.549) 4.544 8.656 ( -3.988 -9.894 -2.982) 11.077 8.705 ( -2.720 -4.202 -0.259) 5.013 8.810 ( -2.435 -0.266 0.644) 2.533 8.901 ( -9.090 -13.687 2.159) 16.572 8.966 ( -2.666 -0.131 0.339) 2.691 9.044 ( 3.329 0.664 1.165) 3.589 9.145 ( -1.572 2.053 2.703) 3.741 9.201 ( -6.290 -0.535 -3.287) 7.117 9.541 ( 4.359 -0.221 -0.426) 4.385 9.699 ( 5.743 8.074 1.484) 10.019 9.869 ( 2.463 -11.693 -0.479) 11.959 10.081 ( 6.418 3.280 -1.572) 7.377 10.266 ( -1.485 -0.255 1.207) 1.930 11.287 ( 1.164 -3.193 0.935) 3.525 11.460 ( 4.241 1.623 1.056) 4.662 11.505 ( 5.042 2.418 0.118) 5.593 11.606 ( 0.535 1.051 -2.193) 2.490 11.926 ( 1.345 -10.086 -1.996) 10.370 12.060 ( 2.362 -13.118 1.353) 13.398 12.361 ( -4.497 3.087 -0.351) 5.466 12.447 ( 7.013 -7.928 -0.879) 10.621 12.643 ( 12.096 -1.055 1.224) 12.203 12.703 ( -2.095 10.787 -2.502) 11.270 12.761 ( -7.916 17.519 1.054) 19.253 12.950 ( 11.130 -1.522 1.393) 11.320 13.229 ( -5.817 12.389 2.849) 13.980 13.362 ( -9.930 10.991 -0.216) 14.814 13.659 ( -4.154 6.103 2.250) 7.718 13.721 ( -3.974 7.365 -3.557) 9.093 14.380 ( -0.488 -0.287 2.971) 3.025 14.515 ( -6.776 3.334 -10.747) 13.135 14.878 ( -2.862 8.708 7.460) 11.819 15.082 ( 1.116 14.228 -0.231) 14.274 16.777 ( 3.653 -11.997 -0.229) 12.543 17.068 ( 7.125 -24.923 0.002) 25.921 17.583 ( -1.374 9.375 0.209) 9.478 18.488 ( -1.106 3.537 0.915) 3.817 18.612 ( -0.790 2.899 -1.151) 3.218 18.820 ( -2.066 -5.222 2.586) 6.183 ======================= Grid point 29 (22/141) ======================= q-point: (-0.20 0.20 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( -0.000 30.341 -0.000) 30.341 1.631 ( -0.000 37.595 -0.000) 37.595 2.436 ( -0.000 17.120 -0.000) 17.120 2.898 ( -0.000 61.347 -0.000) 61.347 3.343 ( -0.000 9.467 -0.000) 9.467 3.452 ( -0.000 29.336 -0.000) 29.336 3.557 ( -0.000 2.597 -0.000) 2.597 3.611 ( -0.000 31.023 -0.000) 31.023 3.617 ( -0.000 0.994 -0.000) 0.994 3.761 ( -0.000 0.169 -0.000) 0.169 4.217 ( -0.000 3.792 -0.000) 3.792 4.339 ( 0.000 -1.839 0.000) 1.839 4.556 ( -0.000 5.417 -0.000) 5.417 4.627 ( 0.000 -0.502 0.000) 0.502 5.063 ( 0.000 -5.688 0.000) 5.688 5.199 ( -0.000 4.005 -0.000) 4.005 5.303 ( 0.000 -12.250 0.000) 12.250 5.623 ( 0.000 -0.891 0.000) 0.891 5.712 ( 0.000 -14.384 0.000) 14.384 5.852 ( 0.000 -0.940 0.000) 0.940 6.528 ( 0.000 -2.601 0.000) 2.601 6.587 ( 0.000 -5.286 0.000) 5.286 6.623 ( 0.000 -6.602 0.000) 6.602 6.882 ( -0.000 2.937 -0.000) 2.937 6.974 ( 0.000 -7.849 0.000) 7.849 7.230 ( -0.000 5.103 -0.000) 5.103 7.328 ( 0.000 -23.105 0.000) 23.105 7.415 ( 0.000 -18.995 0.000) 18.995 7.442 ( 0.000 -20.043 0.000) 20.043 7.559 ( 0.000 -18.396 0.000) 18.396 7.863 ( 0.000 -1.632 0.000) 1.632 7.967 ( 0.000 -5.384 0.000) 5.384 8.583 ( 0.000 -4.237 0.000) 4.237 8.668 ( 0.000 -1.565 0.000) 1.565 8.721 ( 0.000 -6.548 0.000) 6.548 8.794 ( 0.000 -1.655 0.000) 1.655 8.938 ( -0.000 1.113 -0.000) 1.113 8.951 ( 0.000 -13.423 0.000) 13.423 9.036 ( -0.000 5.883 -0.000) 5.883 9.114 ( 0.000 -2.099 0.000) 2.099 9.118 ( -0.000 6.200 -0.000) 6.200 9.603 ( 0.000 -0.643 0.000) 0.643 9.664 ( -0.000 9.438 -0.000) 9.438 10.031 ( 0.000 -13.856 0.000) 13.856 10.153 ( -0.000 5.942 -0.000) 5.942 10.191 ( -0.000 2.493 -0.000) 2.493 11.315 ( 0.000 -2.009 0.000) 2.009 11.431 ( -0.000 11.853 -0.000) 11.853 11.562 ( 0.000 -1.213 0.000) 1.213 11.573 ( -0.000 3.424 -0.000) 3.424 12.062 ( -0.000 27.395 -0.000) 27.395 12.067 ( 0.000 -12.838 0.000) 12.838 12.245 ( 0.000 -14.835 0.000) 14.835 12.575 ( -0.000 8.801 -0.000) 8.801 12.578 ( 0.000 -4.445 0.000) 4.445 12.621 ( 0.000 -2.632 0.000) 2.632 12.853 ( -0.000 2.159 -0.000) 2.159 12.953 ( -0.000 11.294 -0.000) 11.294 13.122 ( -0.000 1.049 -0.000) 1.049 13.143 ( -0.000 11.352 -0.000) 11.352 13.416 ( -0.000 14.067 -0.000) 14.067 13.722 ( 0.000 -2.538 0.000) 2.538 14.377 ( 0.000 -0.305 0.000) 0.305 14.444 ( 0.000 -1.072 0.000) 1.072 14.775 ( -0.000 8.509 -0.000) 8.509 14.948 ( -0.000 13.012 -0.000) 13.012 16.930 ( 0.000 -11.011 0.000) 11.011 17.375 ( 0.000 -21.216 0.000) 21.216 17.493 ( -0.000 6.181 -0.000) 6.181 18.441 ( -0.000 3.005 -0.000) 3.005 18.567 ( -0.000 3.856 -0.000) 3.856 18.852 ( 0.000 -3.613 0.000) 3.613 ======================= Grid point 34 (23/141) ======================= q-point: ( 0.30 0.30 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.062 ( 3.339 -0.000 3.385) 4.755 3.253 ( -5.336 0.000 4.693) 7.106 3.345 ( 14.967 -0.000 -3.014) 15.267 3.346 ( 5.506 -0.000 0.701) 5.550 3.528 ( 6.936 -0.000 -5.714) 8.986 3.845 ( 0.550 -0.000 3.015) 3.065 3.921 ( 0.299 -0.000 -1.053) 1.095 3.927 ( 2.213 -0.000 -4.138) 4.693 4.086 ( 5.320 -0.000 0.821) 5.383 4.132 ( -7.604 0.000 0.980) 7.667 4.313 ( -2.128 0.000 3.798) 4.353 4.337 ( 0.277 -0.000 -2.480) 2.495 4.490 ( -10.188 0.000 -0.499) 10.200 4.657 ( -4.454 0.000 -2.076) 4.914 5.213 ( 1.048 -0.000 3.349) 3.510 5.279 ( 6.017 -0.000 0.929) 6.088 5.480 ( -2.081 0.000 5.290) 5.685 5.560 ( -5.666 0.000 1.143) 5.780 5.590 ( -11.551 0.000 -2.873) 11.903 5.766 ( 12.836 -0.000 -6.545) 14.409 5.846 ( -4.093 0.000 -4.946) 6.420 6.141 ( -0.711 0.000 -0.232) 0.748 6.430 ( -0.433 0.000 -3.968) 3.991 6.458 ( -4.256 0.000 5.812) 7.204 6.746 ( -1.393 0.000 -12.830) 12.905 6.760 ( 5.533 -0.000 7.620) 9.417 7.011 ( 0.177 -0.000 -4.078) 4.082 7.316 ( 3.813 -0.000 10.715) 11.374 7.423 ( 1.973 -0.000 13.045) 13.193 7.616 ( 12.929 -0.000 -14.828) 19.673 7.830 ( 8.788 -0.000 10.999) 14.078 8.263 ( 17.912 -0.000 2.627) 18.104 8.380 ( -9.570 0.000 -5.646) 11.111 8.500 ( -7.144 0.000 -6.659) 9.766 8.643 ( -3.335 0.000 3.551) 4.872 8.728 ( -0.417 0.000 -0.146) 0.442 8.827 ( -4.322 0.000 -1.515) 4.580 8.893 ( -1.480 0.000 4.042) 4.304 8.951 ( -4.113 0.000 -2.410) 4.767 9.161 ( -7.649 0.000 -0.509) 7.666 9.250 ( 1.731 -0.000 6.169) 6.408 9.459 ( 2.163 -0.000 -9.133) 9.386 9.753 ( 5.067 -0.000 4.011) 6.462 9.822 ( 8.303 -0.000 3.809) 9.136 10.048 ( 5.662 -0.000 0.487) 5.683 10.119 ( 8.275 -0.000 -5.677) 10.035 10.353 ( -18.865 0.000 0.921) 18.887 10.392 ( -15.681 0.000 -1.063) 15.717 11.401 ( -3.028 0.000 -0.691) 3.106 11.601 ( 1.203 -0.000 -0.644) 1.365 11.892 ( -1.502 0.000 2.278) 2.728 11.932 ( -5.448 0.000 0.298) 5.456 12.049 ( -2.672 0.000 2.210) 3.468 12.084 ( -1.647 0.000 -2.749) 3.205 12.773 ( -3.975 0.000 -0.961) 4.089 12.801 ( -6.128 0.000 0.084) 6.128 13.138 ( 4.571 -0.000 -3.126) 5.538 13.165 ( -3.916 0.000 -3.142) 5.021 13.330 ( 3.196 -0.000 9.196) 9.736 13.894 ( -0.681 0.000 -20.474) 20.485 14.137 ( 0.491 -0.000 8.442) 8.456 14.156 ( 1.579 -0.000 21.725) 21.782 14.712 ( 13.515 -0.000 -3.066) 13.858 14.757 ( 13.948 -0.000 -21.253) 25.421 15.220 ( -5.878 0.000 7.089) 9.210 15.674 ( -8.264 0.000 6.809) 10.708 15.959 ( -4.434 0.000 9.601) 10.575 16.035 ( 0.068 -0.000 -10.830) 10.830 18.396 ( -4.373 0.000 1.535) 4.634 18.408 ( 7.256 -0.000 2.693) 7.740 18.530 ( 0.787 -0.000 -3.046) 3.146 18.635 ( 2.453 -0.000 -2.043) 3.192 ======================= Grid point 35 (24/141) ======================= q-point: (-0.60 0.30 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.034 ( -6.953 6.883 1.960) 9.978 3.086 ( -8.349 1.157 2.398) 8.763 3.348 ( 2.161 13.242 3.027) 13.754 3.516 ( 5.063 2.641 -7.095) 9.108 3.624 ( 3.818 -0.216 -2.164) 4.394 3.780 ( -6.086 -0.433 2.109) 6.456 3.891 ( -2.978 0.470 -1.584) 3.406 3.970 ( -2.445 -3.874 0.779) 4.647 4.082 ( 0.663 -2.303 0.356) 2.423 4.214 ( 11.072 1.720 1.053) 11.254 4.307 ( -2.835 -2.772 6.049) 7.233 4.408 ( 2.589 -0.951 -2.394) 3.652 4.467 ( 9.438 -6.342 -1.376) 11.454 4.595 ( -2.971 -3.237 -2.529) 5.070 5.219 ( -2.564 1.372 7.974) 8.488 5.367 ( 1.515 3.063 2.247) 4.090 5.425 ( -3.355 2.782 -2.468) 5.008 5.507 ( 3.631 -7.729 2.451) 8.884 5.576 ( 1.761 -7.423 -6.018) 9.717 5.761 ( -1.378 1.061 -1.816) 2.515 5.891 ( 1.263 -3.364 -11.027) 11.597 6.109 ( -2.533 0.497 1.972) 3.249 6.382 ( -3.073 3.684 5.413) 7.233 6.405 ( -1.523 -0.026 -3.856) 4.146 6.705 ( 2.053 1.500 -9.337) 9.677 6.820 ( -1.992 -2.257 8.176) 8.712 7.040 ( 2.817 -0.106 -3.248) 4.301 7.368 ( -0.456 4.839 6.127) 7.821 7.429 ( -0.944 6.760 10.006) 12.112 7.585 ( -4.962 -0.249 -1.149) 5.100 8.029 ( -5.950 13.934 -4.987) 15.951 8.236 ( 17.052 -1.253 -2.587) 17.292 8.367 ( -8.335 13.867 3.939) 16.652 8.439 ( -10.580 -13.056 -6.537) 18.032 8.599 ( 9.340 -1.797 3.759) 10.227 8.663 ( -4.649 -2.328 1.189) 5.333 8.806 ( -4.424 -2.177 3.865) 6.264 8.904 ( -3.738 -1.726 -1.729) 4.465 8.951 ( 4.047 -3.916 -0.651) 5.669 9.071 ( -3.512 -5.615 -1.317) 6.753 9.253 ( -3.798 -0.074 7.081) 8.035 9.447 ( -0.359 -1.101 -8.688) 8.764 9.769 ( 0.771 5.701 0.431) 5.769 9.840 ( -5.186 5.118 4.801) 8.726 10.129 ( -0.283 4.229 0.704) 4.297 10.193 ( 1.679 -0.755 -1.476) 2.360 10.379 ( 16.166 -10.166 -1.387) 19.147 10.452 ( 13.442 -19.981 -0.692) 24.091 11.364 ( -0.278 0.244 -0.929) 1.000 11.617 ( 0.587 -0.267 -0.228) 0.684 11.897 ( 4.846 1.587 0.516) 5.125 11.953 ( 0.846 -3.166 0.698) 3.351 11.996 ( -4.039 -1.810 0.552) 4.461 12.083 ( 2.613 -3.060 -0.958) 4.136 12.631 ( -5.247 7.719 0.524) 9.348 12.707 ( -3.637 1.096 -1.866) 4.232 13.081 ( -1.815 2.462 -4.095) 5.111 13.221 ( 1.710 -3.616 -2.881) 4.930 13.416 ( 4.444 2.136 9.767) 10.941 13.764 ( -6.488 0.288 -16.030) 17.296 14.120 ( -2.570 4.586 11.907) 13.016 14.229 ( -1.635 -1.023 18.995) 19.093 14.640 ( 5.281 21.743 -18.929) 29.308 15.074 ( -0.739 -16.499 -15.998) 22.993 15.186 ( 4.320 3.373 13.053) 14.157 15.434 ( -11.414 1.383 0.329) 11.503 15.957 ( 1.461 -0.221 8.468) 8.596 16.144 ( 6.126 -7.561 -3.731) 10.422 18.221 ( -3.236 14.073 2.218) 14.610 18.531 ( 2.660 0.731 -0.236) 2.769 18.563 ( -1.070 -10.003 0.696) 10.084 18.689 ( 0.965 -2.192 -2.874) 3.741 ======================= Grid point 36 (25/141) ======================= q-point: (-0.50 0.30 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.668 ( -15.791 16.512 2.451) 22.979 3.015 ( -1.868 2.649 -2.062) 3.842 3.135 ( -4.415 24.569 5.830) 25.634 3.534 ( 2.372 2.304 -3.341) 4.701 3.619 ( -0.562 5.189 -3.678) 6.385 3.729 ( -1.487 -2.264 -0.348) 2.731 3.815 ( -4.089 -1.014 1.166) 4.371 3.903 ( -5.769 0.862 2.994) 6.557 4.142 ( 2.214 -1.540 -1.796) 3.240 4.262 ( -2.235 2.039 0.833) 3.138 4.472 ( 10.695 -5.147 0.450) 11.878 4.525 ( 6.883 -3.904 2.611) 8.333 4.613 ( -0.702 -7.685 -2.229) 8.032 4.716 ( 9.774 -5.039 -0.291) 11.001 5.133 ( -3.238 8.543 4.329) 10.110 5.311 ( -1.650 10.731 -2.065) 11.052 5.333 ( -2.252 5.664 0.499) 6.116 5.529 ( -6.789 1.585 -2.813) 7.518 5.665 ( -1.781 -8.116 -1.296) 8.410 5.900 ( 3.808 -1.110 -5.490) 6.772 5.921 ( 7.579 -12.827 0.357) 14.904 6.123 ( 5.052 -7.038 -1.066) 8.729 6.328 ( -2.183 -1.144 2.347) 3.403 6.372 ( -0.775 -1.176 -2.231) 2.638 6.704 ( 1.826 4.566 -2.896) 5.707 6.824 ( -1.657 -2.583 6.413) 7.109 7.052 ( -1.046 -0.261 0.190) 1.094 7.202 ( -4.074 8.448 -1.659) 9.525 7.429 ( 2.322 5.409 7.086) 9.212 7.444 ( -6.661 7.837 1.425) 10.384 7.834 ( -4.527 -0.622 -3.645) 5.845 8.053 ( -10.772 8.308 0.935) 13.636 8.372 ( -9.220 -14.519 -7.023) 18.578 8.492 ( 5.671 -1.404 -2.199) 6.242 8.588 ( -4.547 -5.397 1.818) 7.288 8.698 ( -10.721 -7.934 4.061) 13.942 8.785 ( -5.252 -5.423 0.762) 7.587 8.885 ( 7.239 -0.135 1.932) 7.494 9.019 ( -1.954 -1.699 1.710) 3.103 9.139 ( 3.874 -5.231 -2.234) 6.882 9.202 ( -2.655 -0.046 3.988) 4.791 9.455 ( 1.316 -4.128 -7.972) 9.073 9.637 ( -6.344 1.494 5.757) 8.696 9.836 ( 6.078 4.905 -0.162) 7.812 10.096 ( 0.880 3.634 1.399) 3.992 10.278 ( 8.021 4.889 -1.680) 9.543 10.800 ( 16.356 -13.347 -0.277) 21.113 10.964 ( 16.178 -21.050 -0.122) 26.549 11.386 ( 3.602 0.944 -0.480) 3.754 11.621 ( -0.001 0.652 -0.185) 0.678 11.901 ( -4.567 0.285 -0.996) 4.683 11.969 ( -2.092 -4.282 -1.719) 5.066 12.074 ( 13.519 1.346 0.417) 13.592 12.248 ( 9.418 0.599 0.755) 9.468 12.510 ( -1.749 1.880 0.609) 2.639 12.667 ( 1.035 -4.132 -0.808) 4.336 12.996 ( -2.326 4.591 -4.551) 6.870 13.239 ( -1.930 1.031 -0.022) 2.189 13.499 ( 4.426 5.102 9.844) 11.939 13.583 ( -7.120 0.040 -11.285) 13.344 14.020 ( -4.387 10.071 10.012) 14.864 14.220 ( -5.246 6.201 19.080) 20.737 14.432 ( 0.483 10.767 -20.955) 23.564 14.884 ( -18.149 -1.831 -10.145) 20.872 15.174 ( -0.467 9.530 9.060) 13.157 15.451 ( 8.760 8.564 -4.734) 13.133 16.127 ( 4.620 -19.383 5.981) 20.804 16.331 ( 4.169 -11.860 -1.568) 12.669 18.020 ( -3.166 14.652 1.716) 15.088 18.563 ( -0.080 -0.714 1.290) 1.477 18.634 ( -0.636 -7.432 0.479) 7.475 18.680 ( -1.716 -0.208 -3.001) 3.464 ======================= Grid point 37 (26/141) ======================= q-point: (-0.40 0.30 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.215 ( -11.192 23.570 1.414) 26.131 2.767 ( -5.448 30.808 4.326) 31.584 2.921 ( -2.026 8.338 -3.947) 9.444 3.522 ( -0.161 2.415 2.663) 3.599 3.560 ( 1.385 5.300 -0.752) 5.529 3.683 ( -0.944 2.528 -2.296) 3.543 3.756 ( -7.617 -0.742 0.103) 7.654 3.858 ( 1.153 0.901 3.074) 3.405 4.110 ( -2.128 3.719 -3.455) 5.504 4.252 ( 0.468 -2.689 0.474) 2.770 4.556 ( 0.151 13.693 -1.688) 13.797 4.641 ( 4.928 5.035 0.798) 7.091 4.746 ( 2.757 -3.531 -0.694) 4.533 4.837 ( 0.625 2.048 -0.958) 2.345 4.989 ( 2.808 13.236 1.226) 13.586 5.132 ( -1.921 13.179 0.018) 13.318 5.216 ( -0.756 2.823 2.501) 3.847 5.399 ( -4.898 1.082 0.406) 5.033 5.628 ( -8.138 -6.921 -1.905) 10.851 5.884 ( 0.613 3.637 -2.800) 4.631 6.205 ( 5.053 -12.941 -0.017) 13.893 6.373 ( 2.920 -8.695 -2.474) 9.500 6.383 ( 0.385 -10.049 2.461) 10.353 6.425 ( 4.259 -11.386 0.902) 12.190 6.704 ( 3.024 -5.213 -2.457) 6.508 6.916 ( 6.449 -4.372 4.823) 9.163 7.039 ( -1.458 -2.917 1.396) 3.547 7.129 ( -0.298 -0.682 -0.991) 1.240 7.253 ( -5.280 4.673 -3.150) 7.723 7.423 ( 1.442 5.828 3.612) 7.007 7.805 ( -2.589 -5.547 -0.158) 6.123 7.864 ( -5.653 0.301 0.216) 5.665 8.363 ( -6.476 -15.954 -4.319) 17.752 8.535 ( 0.190 -1.829 -1.925) 2.662 8.578 ( -4.670 -8.346 0.571) 9.581 8.608 ( -9.695 -11.367 2.236) 15.107 8.761 ( -3.731 -4.354 -0.787) 5.787 8.969 ( -0.228 -1.353 2.255) 2.640 9.021 ( 1.025 0.323 2.676) 2.884 9.175 ( 0.144 1.077 1.198) 1.617 9.236 ( 3.540 1.707 -1.855) 4.345 9.489 ( 0.273 -3.651 -4.165) 5.545 9.632 ( -0.663 -8.470 4.146) 9.453 9.890 ( 6.247 7.990 -0.947) 10.186 10.093 ( 0.385 -0.926 1.092) 1.482 10.325 ( 3.746 6.197 -0.762) 7.282 11.172 ( 10.485 -8.934 0.599) 13.788 11.384 ( 8.604 -16.220 -0.555) 18.369 11.457 ( 4.386 0.171 0.217) 4.395 11.607 ( -0.040 1.449 -0.349) 1.490 11.826 ( -2.288 0.238 -1.886) 2.975 11.980 ( 3.024 2.740 -0.466) 4.107 12.277 ( 5.386 -3.811 2.513) 7.061 12.314 ( -2.721 -3.823 -2.558) 5.344 12.589 ( 10.934 -4.465 -0.860) 11.842 12.834 ( -0.290 -3.173 1.203) 3.406 12.924 ( 10.750 4.995 -2.805) 12.181 13.087 ( -8.798 8.797 1.433) 12.524 13.444 ( -2.273 2.248 -3.235) 4.548 13.533 ( 0.032 8.904 6.044) 10.761 13.832 ( -3.230 14.581 4.375) 15.562 13.984 ( -10.081 13.912 0.655) 17.193 14.374 ( -0.065 -0.704 0.457) 0.842 14.571 ( -11.035 1.590 -11.600) 16.089 15.080 ( -0.711 11.179 6.196) 12.802 15.412 ( 4.054 17.008 -1.645) 17.561 16.486 ( 4.633 -24.600 1.602) 25.083 16.525 ( 2.361 -18.077 -0.541) 18.239 17.828 ( -1.987 13.909 0.853) 14.076 18.540 ( -2.568 0.196 0.666) 2.660 18.631 ( -2.570 -1.204 -1.238) 3.096 18.713 ( 1.689 -3.881 0.563) 4.270 ======================= Grid point 38 (27/141) ======================= q-point: (-0.30 0.30 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( -0.000 27.881 -0.000) 27.881 2.375 ( -0.000 34.679 -0.000) 34.679 2.769 ( -0.000 14.006 -0.000) 14.006 3.496 ( -0.000 4.804 -0.000) 4.804 3.575 ( -0.000 0.687 -0.000) 0.687 3.598 ( -0.000 9.087 -0.000) 9.087 3.650 ( -0.000 2.308 -0.000) 2.308 3.840 ( -0.000 5.082 -0.000) 5.082 4.022 ( -0.000 16.273 -0.000) 16.273 4.275 ( -0.000 22.821 -0.000) 22.821 4.290 ( 0.000 -2.894 0.000) 2.894 4.469 ( -0.000 34.173 -0.000) 34.173 4.677 ( -0.000 5.936 -0.000) 5.936 4.834 ( -0.000 18.222 -0.000) 18.222 4.931 ( 0.000 -7.043 0.000) 7.043 5.072 ( 0.000 -7.020 0.000) 7.020 5.283 ( -0.000 2.112 -0.000) 2.112 5.407 ( 0.000 -12.856 0.000) 12.856 5.577 ( 0.000 -3.856 0.000) 3.856 5.858 ( -0.000 1.799 -0.000) 1.799 6.369 ( 0.000 -11.741 0.000) 11.741 6.460 ( 0.000 -6.730 0.000) 6.730 6.481 ( 0.000 -7.965 0.000) 7.965 6.639 ( 0.000 -20.508 0.000) 20.508 6.846 ( 0.000 -9.119 0.000) 9.119 7.063 ( 0.000 -3.666 0.000) 3.666 7.089 ( 0.000 -7.060 0.000) 7.060 7.189 ( 0.000 -3.325 0.000) 3.325 7.197 ( 0.000 -14.105 0.000) 14.105 7.384 ( -0.000 5.415 -0.000) 5.415 7.828 ( 0.000 -1.964 0.000) 1.964 7.844 ( 0.000 -6.244 0.000) 6.244 8.460 ( 0.000 -14.908 0.000) 14.908 8.541 ( 0.000 -0.494 0.000) 0.494 8.631 ( 0.000 -14.471 0.000) 14.471 8.635 ( 0.000 -6.437 0.000) 6.437 8.752 ( 0.000 -3.087 0.000) 3.087 8.964 ( -0.000 1.467 -0.000) 1.467 9.047 ( 0.000 -3.176 0.000) 3.176 9.154 ( -0.000 4.076 -0.000) 4.076 9.229 ( -0.000 4.377 -0.000) 4.377 9.533 ( 0.000 -4.687 0.000) 4.687 9.752 ( 0.000 -12.629 0.000) 12.629 9.853 ( -0.000 9.478 -0.000) 9.478 10.140 ( 0.000 -4.725 0.000) 4.725 10.285 ( -0.000 6.708 -0.000) 6.708 11.311 ( 0.000 -0.562 0.000) 0.562 11.506 ( 0.000 -0.667 0.000) 0.667 11.585 ( -0.000 2.702 -0.000) 2.702 11.589 ( 0.000 -7.687 0.000) 7.687 11.835 ( 0.000 -6.927 0.000) 6.927 12.009 ( 0.000 -2.785 0.000) 2.785 12.291 ( 0.000 -3.306 0.000) 3.306 12.408 ( 0.000 -8.711 0.000) 8.711 12.751 ( -0.000 6.997 -0.000) 6.997 12.825 ( -0.000 12.204 -0.000) 12.204 12.830 ( 0.000 -3.863 0.000) 3.863 13.105 ( 0.000 -1.352 0.000) 1.352 13.326 ( -0.000 23.016 -0.000) 23.016 13.380 ( -0.000 7.232 -0.000) 7.232 13.694 ( -0.000 13.385 -0.000) 13.385 13.730 ( -0.000 6.126 -0.000) 6.126 14.385 ( -0.000 0.707 -0.000) 0.707 14.437 ( -0.000 0.008 -0.000) 0.008 14.969 ( -0.000 10.527 -0.000) 10.527 15.265 ( -0.000 17.351 -0.000) 17.351 16.675 ( 0.000 -13.475 0.000) 13.475 16.850 ( 0.000 -29.014 0.000) 29.014 17.678 ( -0.000 11.792 -0.000) 11.792 18.500 ( -0.000 2.237 -0.000) 2.237 18.612 ( -0.000 0.081 -0.000) 0.081 18.769 ( 0.000 -3.954 0.000) 3.954 ======================= Grid point 45 (28/141) ======================= q-point: (-0.60 0.40 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.848 ( -14.362 0.000 3.469) 14.775 3.037 ( -1.112 0.000 -0.619) 1.273 3.505 ( 3.369 -0.000 1.729) 3.787 3.592 ( -0.360 0.000 -3.230) 3.250 3.631 ( -3.198 0.000 2.780) 4.238 3.678 ( -0.208 0.000 -5.812) 5.816 3.828 ( -3.112 0.000 -0.798) 3.213 3.849 ( -7.501 0.000 4.904) 8.961 4.096 ( 2.325 -0.000 0.381) 2.356 4.277 ( 0.332 -0.000 4.051) 4.065 4.371 ( 7.367 -0.000 -0.782) 7.408 4.491 ( -2.850 0.000 -4.934) 5.698 4.591 ( 12.338 -0.000 1.299) 12.406 4.627 ( 10.483 -0.000 -0.008) 10.483 5.219 ( -1.397 0.000 9.705) 9.805 5.391 ( -1.992 0.000 4.420) 4.848 5.411 ( 1.843 -0.000 -1.754) 2.544 5.530 ( -2.207 0.000 -4.357) 4.884 5.563 ( 0.074 -0.000 -10.939) 10.939 5.798 ( 7.340 -0.000 1.851) 7.570 5.851 ( 5.422 -0.000 -5.689) 7.859 6.095 ( 0.711 -0.000 -2.981) 3.065 6.340 ( -4.777 0.000 4.629) 6.652 6.361 ( -2.273 0.000 -3.237) 3.956 6.758 ( 3.545 -0.000 -3.461) 4.954 6.778 ( -2.153 0.000 5.567) 5.969 7.058 ( -0.986 0.000 1.052) 1.442 7.337 ( -7.063 0.000 -4.423) 8.334 7.492 ( -0.134 0.000 9.020) 9.021 7.531 ( -1.289 0.000 10.325) 10.405 7.915 ( -11.394 0.000 -8.381) 14.144 8.035 ( -18.573 0.000 -8.800) 20.552 8.279 ( -11.533 0.000 -0.653) 11.551 8.421 ( -6.088 0.000 3.034) 6.802 8.510 ( 5.370 -0.000 0.661) 5.411 8.648 ( -4.905 0.000 -0.429) 4.923 8.686 ( -12.537 0.000 3.230) 12.946 8.882 ( 3.022 -0.000 0.983) 3.178 9.003 ( 2.179 -0.000 3.402) 4.040 9.086 ( 11.672 -0.000 -3.102) 12.077 9.203 ( -3.401 0.000 4.878) 5.947 9.409 ( 0.541 -0.000 -9.346) 9.362 9.655 ( -11.332 0.000 7.656) 13.675 9.883 ( 6.284 -0.000 -1.840) 6.548 10.153 ( -0.685 0.000 1.963) 2.079 10.418 ( 9.939 -0.000 -1.710) 10.085 10.637 ( 19.966 -0.000 -0.841) 19.984 10.654 ( 20.432 -0.000 0.013) 20.432 11.400 ( 4.307 -0.000 -1.244) 4.483 11.628 ( 0.575 -0.000 0.360) 0.678 11.893 ( -1.138 0.000 -1.737) 2.076 11.897 ( -3.046 0.000 -0.370) 3.068 12.105 ( 14.792 -0.000 -1.555) 14.873 12.295 ( 16.248 -0.000 2.850) 16.496 12.550 ( -8.877 0.000 -0.922) 8.924 12.579 ( -7.392 0.000 0.211) 7.395 13.056 ( 0.045 -0.000 -6.191) 6.191 13.232 ( -0.104 0.000 -0.607) 0.616 13.552 ( 5.748 -0.000 11.284) 12.664 13.587 ( -8.094 0.000 -11.604) 14.148 14.151 ( -1.394 0.000 16.472) 16.531 14.226 ( -3.326 0.000 11.773) 12.234 14.734 ( -6.117 0.000 -15.394) 16.565 14.735 ( -16.307 0.000 -14.417) 21.767 15.385 ( 5.575 -0.000 -3.371) 6.515 15.397 ( 11.275 -0.000 8.119) 13.894 15.983 ( -1.518 0.000 7.004) 7.166 16.157 ( 2.084 -0.000 -2.397) 3.176 18.255 ( -4.041 0.000 2.982) 5.022 18.421 ( -3.326 0.000 0.187) 3.331 18.613 ( 3.404 -0.000 0.413) 3.429 18.675 ( -1.082 0.000 -3.536) 3.698 ======================= Grid point 47 (29/141) ======================= q-point: (-0.50 0.40 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.584 ( -9.403 10.609 1.888) 14.302 3.019 ( -0.058 1.633 -1.205) 2.030 3.347 ( -2.830 23.174 2.790) 23.512 3.566 ( -2.937 1.030 0.881) 3.235 3.603 ( 0.890 0.001 -1.410) 1.668 3.679 ( -1.799 -2.879 -5.043) 6.079 3.747 ( -3.032 1.565 2.254) 4.089 3.844 ( 0.333 -4.261 2.682) 5.046 4.157 ( 1.708 -3.197 -0.361) 3.643 4.245 ( -2.124 6.053 0.227) 6.418 4.488 ( -1.366 -10.272 -1.874) 10.530 4.554 ( 7.987 -6.573 1.290) 10.425 4.747 ( 9.496 5.587 0.495) 11.029 4.838 ( 8.323 -2.613 0.568) 8.742 5.196 ( -2.351 7.618 3.797) 8.830 5.334 ( -5.761 0.076 -0.018) 5.761 5.394 ( -2.931 -1.113 1.887) 3.659 5.430 ( 1.713 8.685 -2.178) 9.116 5.498 ( -4.937 -3.576 -7.766) 9.873 5.960 ( 2.131 2.229 -2.403) 3.909 6.012 ( 9.611 -4.923 1.228) 10.868 6.197 ( 10.980 -2.879 -2.800) 11.691 6.289 ( -0.444 -0.927 2.649) 2.841 6.323 ( -1.611 -2.550 -0.790) 3.118 6.720 ( -5.780 3.940 -1.470) 7.148 6.808 ( 1.802 -4.211 3.059) 5.508 7.033 ( -0.949 0.705 4.005) 4.176 7.178 ( -3.993 3.461 -2.776) 5.969 7.417 ( -7.511 10.417 0.842) 12.870 7.528 ( 0.355 3.706 6.998) 7.926 7.704 ( -4.896 -3.345 -2.947) 6.622 7.812 ( -12.083 -9.965 -3.395) 16.026 8.084 ( -8.119 -4.338 -3.666) 9.908 8.367 ( -6.760 -8.781 5.213) 12.246 8.411 ( -9.381 -5.353 -0.685) 10.822 8.560 ( -2.486 0.359 -1.996) 3.208 8.687 ( 2.368 -1.993 -3.200) 4.452 8.930 ( 1.040 -1.200 2.290) 2.787 9.057 ( 0.918 1.495 5.845) 6.103 9.177 ( 0.107 -0.258 0.352) 0.449 9.254 ( 6.743 0.071 -1.674) 6.949 9.421 ( 2.347 -2.353 -9.500) 10.064 9.526 ( -6.726 -1.946 9.132) 11.507 9.978 ( 5.328 0.485 -2.223) 5.793 10.135 ( -0.351 4.097 2.452) 4.788 10.484 ( 4.394 7.579 -0.818) 8.799 10.979 ( 12.611 -7.774 -0.321) 14.818 11.048 ( 12.564 -11.827 -0.358) 17.259 11.473 ( 3.394 0.761 -0.877) 3.587 11.632 ( 0.087 0.636 0.371) 0.742 11.871 ( 2.313 2.911 -0.386) 3.738 11.960 ( 6.512 -3.815 -0.304) 7.553 12.314 ( -6.420 3.709 -2.670) 7.880 12.330 ( -2.649 5.642 0.842) 6.290 12.470 ( 10.925 -6.230 -2.817) 12.888 12.698 ( 10.602 -6.418 3.425) 12.858 13.049 ( 4.591 4.611 -4.310) 7.805 13.164 ( -8.754 0.239 1.975) 8.977 13.431 ( -4.879 -0.885 -7.069) 8.635 13.669 ( 4.076 3.288 12.411) 13.470 14.115 ( -1.350 10.348 7.202) 12.679 14.215 ( -6.125 4.998 12.602) 14.876 14.354 ( -8.632 0.142 -11.829) 14.645 14.572 ( -9.100 -1.151 -13.839) 16.603 15.360 ( 3.844 16.353 2.570) 16.994 15.685 ( 10.990 1.165 -3.296) 11.533 15.978 ( -3.666 -12.685 5.806) 14.424 16.240 ( 0.499 -11.995 -0.877) 12.037 18.118 ( -2.356 12.712 1.424) 13.006 18.429 ( -3.054 -8.921 0.399) 9.438 18.628 ( -2.012 0.660 -1.974) 2.895 18.673 ( 2.326 -0.868 0.289) 2.499 ======================= Grid point 48 (30/141) ======================= q-point: (-0.40 0.40 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.340 ( -0.000 19.316 -0.000) 19.316 2.978 ( -0.000 6.027 -0.000) 6.027 3.045 ( -0.000 29.610 -0.000) 29.610 3.529 ( -0.000 0.486 -0.000) 0.486 3.618 ( -0.000 1.238 -0.000) 1.238 3.657 ( 0.000 -1.553 0.000) 1.553 3.704 ( -0.000 2.718 -0.000) 2.718 3.892 ( 0.000 -0.967 0.000) 0.967 4.127 ( -0.000 7.135 -0.000) 7.135 4.221 ( 0.000 -4.071 0.000) 4.071 4.579 ( 0.000 -7.384 0.000) 7.384 4.718 ( 0.000 -7.543 0.000) 7.543 4.816 ( -0.000 1.671 -0.000) 1.671 4.855 ( -0.000 13.237 -0.000) 13.237 5.135 ( 0.000 -7.571 0.000) 7.571 5.254 ( -0.000 12.985 -0.000) 12.985 5.276 ( -0.000 20.635 -0.000) 20.635 5.371 ( -0.000 1.289 -0.000) 1.289 5.470 ( 0.000 -5.597 0.000) 5.597 5.927 ( -0.000 4.282 -0.000) 4.282 6.157 ( 0.000 -7.210 0.000) 7.210 6.296 ( 0.000 -5.270 0.000) 5.270 6.332 ( 0.000 -5.073 0.000) 5.073 6.407 ( 0.000 -1.739 0.000) 1.739 6.636 ( 0.000 -7.643 0.000) 7.643 6.917 ( 0.000 -9.321 0.000) 9.321 7.067 ( 0.000 -0.913 0.000) 0.913 7.093 ( -0.000 4.587 -0.000) 4.587 7.220 ( -0.000 5.588 -0.000) 5.588 7.494 ( -0.000 4.901 -0.000) 4.901 7.721 ( 0.000 -5.543 0.000) 5.543 7.775 ( 0.000 -4.426 0.000) 4.426 8.112 ( 0.000 -16.196 0.000) 16.196 8.380 ( 0.000 -8.914 0.000) 8.914 8.436 ( 0.000 -11.619 0.000) 11.619 8.537 ( 0.000 -0.305 0.000) 0.305 8.711 ( 0.000 -0.882 0.000) 0.882 8.956 ( 0.000 -1.608 0.000) 1.608 9.045 ( -0.000 2.154 -0.000) 2.154 9.186 ( -0.000 0.185 -0.000) 0.185 9.304 ( -0.000 2.018 -0.000) 2.018 9.451 ( 0.000 -2.464 0.000) 2.464 9.535 ( 0.000 -7.946 0.000) 7.946 10.052 ( 0.000 -3.291 0.000) 3.291 10.054 ( -0.000 9.283 -0.000) 9.283 10.438 ( -0.000 8.178 -0.000) 8.178 11.195 ( 0.000 -9.858 0.000) 9.858 11.298 ( 0.000 -15.242 0.000) 15.242 11.494 ( 0.000 -0.247 0.000) 0.247 11.625 ( -0.000 1.110 -0.000) 1.110 11.854 ( -0.000 7.448 -0.000) 7.448 12.085 ( -0.000 4.515 -0.000) 4.515 12.185 ( 0.000 -4.863 0.000) 4.863 12.266 ( 0.000 -4.845 0.000) 4.845 12.726 ( 0.000 -4.910 0.000) 4.910 12.819 ( 0.000 -0.762 0.000) 0.762 12.975 ( -0.000 3.832 -0.000) 3.832 13.111 ( -0.000 2.393 -0.000) 2.393 13.403 ( 0.000 -2.234 0.000) 2.234 13.667 ( -0.000 8.779 -0.000) 8.779 13.973 ( -0.000 13.587 -0.000) 13.587 13.987 ( -0.000 13.557 -0.000) 13.557 14.387 ( 0.000 -0.970 0.000) 0.970 14.428 ( 0.000 -1.105 0.000) 1.105 15.227 ( -0.000 15.247 -0.000) 15.247 15.634 ( -0.000 17.730 -0.000) 17.730 16.228 ( 0.000 -30.232 0.000) 30.232 16.385 ( 0.000 -14.422 0.000) 14.422 17.956 ( -0.000 14.315 -0.000) 14.315 18.479 ( 0.000 -5.920 0.000) 5.920 18.597 ( -0.000 0.206 -0.000) 0.206 18.711 ( 0.000 -1.778 0.000) 1.778 ======================= Grid point 58 (31/141) ======================= 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.560 ( -0.000 0.000 -0.000) 0.000 3.026 ( -0.000 0.000 -0.000) 0.000 3.478 ( -0.000 0.000 -0.000) 0.000 3.512 ( 0.000 -0.000 0.000) 0.000 3.617 ( -0.000 0.000 -0.000) 0.000 3.627 ( -0.000 0.000 -0.000) 0.000 3.742 ( 0.000 -0.000 0.000) 0.000 3.823 ( -0.000 0.000 -0.000) 0.000 4.148 ( -0.000 0.000 -0.000) 0.000 4.305 ( -0.000 0.000 -0.000) 0.000 4.375 ( 0.000 -0.000 0.000) 0.000 4.606 ( -0.000 0.000 -0.000) 0.000 4.855 ( -0.000 0.000 -0.000) 0.000 5.023 ( -0.000 0.000 -0.000) 0.000 5.059 ( -0.000 0.000 -0.000) 0.000 5.308 ( -0.000 0.000 -0.000) 0.000 5.381 ( -0.000 0.000 -0.000) 0.000 5.414 ( -0.000 0.000 -0.000) 0.000 5.503 ( 0.000 -0.000 0.000) 0.000 5.982 ( -0.000 0.000 -0.000) 0.000 6.095 ( -0.000 0.000 -0.000) 0.000 6.243 ( -0.000 0.000 -0.000) 0.000 6.276 ( -0.000 0.000 -0.000) 0.000 6.464 ( -0.000 0.000 -0.000) 0.000 6.563 ( 0.000 -0.000 0.000) 0.000 6.811 ( -0.000 0.000 -0.000) 0.000 7.059 ( -0.000 0.000 -0.000) 0.000 7.155 ( -0.000 0.000 -0.000) 0.000 7.370 ( -0.000 0.000 -0.000) 0.000 7.567 ( 0.000 -0.000 0.000) 0.000 7.611 ( 0.000 -0.000 0.000) 0.000 7.639 ( -0.000 0.000 -0.000) 0.000 7.967 ( -0.000 0.000 -0.000) 0.000 8.273 ( -0.000 0.000 -0.000) 0.000 8.287 ( -0.000 0.000 -0.000) 0.000 8.531 ( -0.000 0.000 -0.000) 0.000 8.706 ( -0.000 0.000 -0.000) 0.000 8.938 ( -0.000 0.000 -0.000) 0.000 9.074 ( -0.000 0.000 -0.000) 0.000 9.189 ( -0.000 0.000 -0.000) 0.000 9.311 ( -0.000 0.000 -0.000) 0.000 9.435 ( -0.000 0.000 -0.000) 0.000 9.448 ( -0.000 0.000 -0.000) 0.000 10.017 ( -0.000 0.000 -0.000) 0.000 10.168 ( -0.000 0.000 -0.000) 0.000 10.559 ( 0.000 -0.000 0.000) 0.000 11.034 ( -0.000 0.000 -0.000) 0.000 11.127 ( -0.000 0.000 -0.000) 0.000 11.493 ( -0.000 0.000 -0.000) 0.000 11.634 ( -0.000 0.000 -0.000) 0.000 11.988 ( -0.000 0.000 -0.000) 0.000 12.104 ( -0.000 0.000 -0.000) 0.000 12.132 ( -0.000 0.000 -0.000) 0.000 12.214 ( -0.000 0.000 -0.000) 0.000 12.676 ( -0.000 0.000 -0.000) 0.000 12.788 ( 0.000 -0.000 0.000) 0.000 13.012 ( -0.000 0.000 -0.000) 0.000 13.153 ( -0.000 0.000 -0.000) 0.000 13.367 ( -0.000 0.000 -0.000) 0.000 13.748 ( -0.000 0.000 -0.000) 0.000 14.147 ( -0.000 0.000 -0.000) 0.000 14.148 ( -0.000 0.000 -0.000) 0.000 14.358 ( -0.000 0.000 -0.000) 0.000 14.405 ( -0.000 0.000 -0.000) 0.000 15.562 ( -0.000 0.000 -0.000) 0.000 15.724 ( -0.000 0.000 -0.000) 0.000 15.902 ( 0.000 -0.000 0.000) 0.000 16.154 ( -0.000 0.000 -0.000) 0.000 18.182 ( -0.000 0.000 -0.000) 0.000 18.337 ( -0.000 0.000 -0.000) 0.000 18.606 ( -0.000 0.000 -0.000) 0.000 18.691 ( -0.000 0.000 -0.000) 0.000 ======================= Grid point 105 (32/141) ======================= q-point: ( 0.00 0.00 0.20) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.538 ( 8.007 -0.000 29.060) 30.143 0.548 ( -18.590 0.000 29.426) 34.806 1.082 ( -7.142 0.000 58.078) 58.515 1.871 ( 8.077 -0.000 -13.611) 15.827 1.920 ( -3.960 0.000 -15.765) 16.255 3.111 ( -0.133 0.000 5.719) 5.720 3.240 ( -3.604 0.000 0.562) 3.648 3.510 ( 2.816 -0.000 0.485) 2.857 3.538 ( 1.247 -0.000 -1.494) 1.946 3.667 ( 1.829 -0.000 -24.965) 25.032 4.023 ( -1.776 0.000 4.970) 5.278 4.392 ( -0.897 0.000 -3.826) 3.930 4.673 ( -5.376 0.000 1.253) 5.520 4.853 ( -0.631 0.000 3.280) 3.340 4.962 ( -1.668 0.000 -9.284) 9.433 5.153 ( 2.289 -0.000 -6.471) 6.864 5.619 ( -2.680 0.000 8.110) 8.541 5.757 ( 3.528 -0.000 7.984) 8.728 5.910 ( -4.173 0.000 0.047) 4.173 6.103 ( 1.331 -0.000 -4.427) 4.623 6.538 ( 1.288 -0.000 2.780) 3.064 6.663 ( 2.820 -0.000 -4.191) 5.051 6.672 ( 1.549 -0.000 -5.100) 5.331 6.943 ( -5.169 0.000 -7.110) 8.790 6.993 ( -14.910 0.000 8.446) 17.136 7.159 ( 5.520 -0.000 3.316) 6.440 8.003 ( -2.531 0.000 8.359) 8.733 8.018 ( -0.222 0.000 0.775) 0.806 8.088 ( 3.398 -0.000 1.312) 3.643 8.121 ( -1.239 0.000 0.866) 1.512 8.161 ( -1.651 0.000 1.141) 2.007 8.431 ( 6.322 -0.000 -2.131) 6.671 8.600 ( 3.131 -0.000 2.863) 4.242 8.713 ( 1.931 -0.000 -1.283) 2.318 8.797 ( 4.961 -0.000 -3.611) 6.136 8.833 ( -2.082 0.000 1.117) 2.362 8.877 ( -4.217 0.000 -1.695) 4.545 8.981 ( -4.090 0.000 -3.767) 5.560 9.013 ( -10.461 0.000 5.015) 11.601 9.158 ( -31.637 0.000 -1.621) 31.678 9.298 ( -3.715 0.000 4.112) 5.542 9.344 ( -2.999 0.000 0.618) 3.063 9.345 ( -1.962 0.000 0.181) 1.970 9.477 ( 88.017 -0.000 -0.397) 88.018 9.612 ( 0.957 -0.000 0.701) 1.186 10.177 ( -11.943 0.000 -17.006) 20.781 10.799 ( -30.834 0.000 10.815) 32.676 11.014 ( 2.732 -0.000 -0.049) 2.733 11.535 ( -2.376 0.000 4.799) 5.355 11.590 ( -2.314 0.000 -0.056) 2.315 11.642 ( 11.376 -0.000 2.413) 11.629 11.769 ( 2.182 -0.000 -3.833) 4.411 12.244 ( 0.905 -0.000 0.388) 0.985 12.321 ( 3.248 -0.000 -1.896) 3.761 12.615 ( -2.704 0.000 -4.320) 5.096 12.654 ( -6.364 0.000 -0.793) 6.413 12.701 ( 0.427 -0.000 -1.430) 1.493 12.787 ( 1.632 -0.000 3.874) 4.204 12.864 ( 7.802 -0.000 -2.914) 8.329 12.943 ( 0.318 -0.000 -0.678) 0.748 12.990 ( -8.683 0.000 2.024) 8.915 13.038 ( 3.571 -0.000 -0.193) 3.576 14.474 ( -1.690 0.000 -0.362) 1.728 14.476 ( 3.615 -0.000 -0.788) 3.700 14.591 ( -2.170 0.000 1.068) 2.419 14.610 ( -0.209 0.000 0.956) 0.979 17.200 ( -1.833 0.000 2.056) 2.755 17.375 ( 2.286 -0.000 -2.479) 3.372 17.825 ( -1.856 0.000 1.731) 2.538 17.928 ( 4.477 -0.000 -0.981) 4.583 18.409 ( -0.442 0.000 0.295) 0.531 18.416 ( 0.729 -0.000 0.125) 0.740 ======================= Grid point 106 (33/141) ======================= q-point: ( 0.10 0.00 0.20) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( 35.800 -3.452 13.593) 38.449 1.179 ( 14.170 -12.467 36.151) 40.781 1.675 ( 41.881 -35.792 21.685) 59.205 2.026 ( 7.485 -20.700 -15.272) 26.791 2.353 ( 40.390 -6.918 -9.307) 42.022 3.162 ( -0.230 0.006 1.067) 1.091 3.273 ( 3.909 -10.899 3.377) 12.061 3.577 ( 0.241 -0.593 -19.299) 19.310 3.614 ( 6.530 -0.413 -1.430) 6.698 3.626 ( 4.344 -1.487 -3.001) 5.485 4.084 ( 5.106 -1.053 3.290) 6.164 4.418 ( 3.075 -0.972 -1.531) 3.570 4.525 ( -0.690 1.157 5.975) 6.125 4.773 ( -6.187 3.610 3.058) 7.788 4.889 ( -3.977 -0.722 -10.689) 11.428 5.135 ( -0.992 2.241 -5.195) 5.744 5.564 ( -5.736 1.524 7.077) 9.237 5.747 ( -4.834 4.499 6.794) 9.474 5.838 ( -4.916 -1.363 0.073) 5.102 6.029 ( -0.008 4.571 -4.385) 6.334 6.534 ( -1.388 -0.206 1.464) 2.028 6.695 ( 3.394 1.743 -2.152) 4.381 6.726 ( 3.231 -0.372 -2.571) 4.146 6.822 ( -5.832 -1.829 -7.898) 9.987 6.893 ( -0.985 0.615 7.463) 7.552 7.232 ( 0.013 -0.685 2.640) 2.728 7.696 ( -19.242 10.752 3.413) 22.305 7.802 ( -20.420 0.925 2.866) 20.641 7.855 ( -15.957 8.999 -0.281) 18.322 7.872 ( -14.965 8.465 -0.105) 17.194 8.048 ( -8.339 10.536 2.234) 13.621 8.152 ( -4.380 6.979 3.559) 8.975 8.701 ( 5.063 -2.324 0.561) 5.599 8.746 ( -1.285 -1.561 2.157) 2.956 8.763 ( -0.759 -1.365 0.237) 1.580 8.839 ( -6.224 -10.556 1.102) 12.304 8.884 ( 5.172 0.661 -4.243) 6.722 8.938 ( -2.250 -2.744 -0.560) 3.592 8.992 ( 2.550 -4.031 0.814) 4.839 9.141 ( 5.021 -2.237 1.029) 5.592 9.229 ( -3.424 0.660 -0.535) 3.527 9.462 ( 10.381 3.321 -0.202) 10.901 9.615 ( 9.667 9.393 5.323) 14.492 9.816 ( 21.922 -15.485 2.166) 26.927 9.929 ( -1.050 -1.504 -9.774) 9.945 10.378 ( -6.095 3.738 4.316) 8.351 11.135 ( 13.521 -3.381 4.169) 14.547 11.360 ( 3.075 -13.243 -8.114) 15.833 11.459 ( -6.433 1.813 0.936) 6.749 11.554 ( 2.079 -0.008 1.817) 2.761 11.730 ( 1.936 0.377 -1.514) 2.486 12.318 ( 6.978 -3.349 -3.058) 8.322 12.366 ( 9.214 -8.876 -0.436) 12.801 12.470 ( -10.637 1.726 -2.220) 11.002 12.527 ( -2.291 -5.158 -1.933) 5.966 12.683 ( 11.227 -0.146 -9.268) 14.559 12.737 ( 9.883 -2.954 -11.829) 15.695 12.821 ( 11.905 9.498 -11.714) 19.214 12.938 ( 8.316 -1.525 -0.967) 8.509 12.961 ( 6.372 -0.971 -5.122) 8.233 13.105 ( 10.994 -8.160 -2.501) 13.918 13.257 ( 15.797 -14.940 -7.342) 22.949 14.424 ( -3.245 0.679 0.369) 3.336 14.504 ( -1.287 -1.227 2.577) 3.132 14.585 ( 5.425 1.931 -2.232) 6.176 14.679 ( 4.227 -4.743 -1.035) 6.437 17.150 ( -4.770 2.515 2.343) 5.879 17.396 ( -0.037 0.286 -2.377) 2.394 17.725 ( -6.654 3.381 3.790) 8.371 18.271 ( 11.286 -5.296 -21.281) 24.664 18.443 ( 5.372 -4.338 -5.030) 8.543 18.463 ( 2.057 -3.570 0.053) 4.120 ======================= Grid point 107 (34/141) ======================= q-point: ( 0.20 0.00 0.20) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( 21.098 -11.742 25.359) 35.015 1.772 ( 32.596 -8.290 10.843) 35.338 2.375 ( 12.398 -23.685 -12.969) 29.714 2.957 ( 43.180 -28.302 6.827) 52.078 3.035 ( 21.610 -4.511 2.429) 22.209 3.196 ( 9.564 -3.839 -13.603) 17.065 3.531 ( 1.985 -9.792 -5.115) 11.224 3.634 ( 15.983 -13.178 -6.567) 21.731 3.737 ( 6.482 -1.979 1.578) 6.959 3.787 ( 12.902 -7.494 0.035) 14.921 4.208 ( 7.240 2.842 3.998) 8.745 4.459 ( 0.779 0.408 6.420) 6.480 4.551 ( -5.938 -1.027 0.252) 6.031 4.710 ( 7.520 0.010 0.611) 7.545 4.772 ( -4.945 -0.666 -11.968) 12.967 5.053 ( -2.363 4.070 -4.447) 6.475 5.432 ( -7.030 5.109 4.099) 9.609 5.573 ( -9.036 5.336 2.384) 10.761 5.761 ( -5.210 -0.963 3.155) 6.166 6.020 ( 3.168 0.850 -3.965) 5.145 6.514 ( -1.724 -0.350 1.706) 2.451 6.657 ( -5.659 2.284 1.822) 6.369 6.737 ( -2.247 1.608 -8.122) 8.579 6.755 ( 1.248 1.374 -3.808) 4.236 6.909 ( -0.917 0.962 4.194) 4.399 7.177 ( -17.185 9.463 2.347) 19.758 7.245 ( -8.615 1.225 1.919) 8.911 7.387 ( -16.757 8.032 1.531) 18.646 7.435 ( -19.210 5.715 1.389) 20.090 7.509 ( -15.014 9.883 0.160) 17.975 7.866 ( -3.741 4.457 2.390) 6.290 8.041 ( -2.678 3.992 0.260) 4.814 8.693 ( -6.742 -3.060 -0.651) 7.432 8.724 ( -1.370 1.368 -1.408) 2.394 8.797 ( -0.112 -2.471 -0.395) 2.505 8.847 ( 0.508 0.404 -0.823) 1.048 8.934 ( -2.359 -3.503 -0.335) 4.236 9.000 ( 5.048 -4.090 4.053) 7.658 9.025 ( -4.646 -2.681 -1.796) 5.657 9.162 ( -0.526 1.707 1.615) 2.408 9.252 ( 4.802 1.366 -2.170) 5.444 9.492 ( -1.068 5.491 2.155) 5.995 9.746 ( 8.810 2.434 1.144) 9.211 9.892 ( -1.002 -1.274 -7.116) 7.298 10.088 ( -1.276 -1.689 0.863) 2.287 10.230 ( -5.934 1.045 4.157) 7.321 11.282 ( -1.986 0.326 -0.606) 2.102 11.425 ( 0.532 -4.504 3.261) 5.586 11.446 ( 3.119 -2.341 1.308) 4.113 11.536 ( -1.706 0.318 -0.857) 1.935 12.077 ( 13.898 -2.914 3.939) 14.737 12.188 ( -14.805 1.634 0.075) 14.895 12.293 ( 2.706 5.517 1.185) 6.259 12.520 ( 7.078 -3.505 2.733) 8.358 12.568 ( -5.417 6.290 -2.777) 8.753 12.690 ( 3.824 0.615 0.519) 3.908 12.790 ( 12.161 -0.635 -2.535) 12.438 12.884 ( 3.602 4.606 -0.951) 5.924 13.089 ( 6.121 1.925 -4.381) 7.770 13.206 ( 14.677 -6.649 -4.055) 16.615 13.355 ( 8.096 -7.916 -4.395) 12.146 13.636 ( 7.834 -11.267 -5.901) 14.937 14.369 ( -3.160 -0.608 1.397) 3.508 14.536 ( 0.920 -5.699 5.186) 7.760 14.714 ( 10.578 0.032 -4.314) 11.424 14.849 ( 10.566 -4.350 -2.857) 11.778 16.983 ( -9.997 5.717 3.682) 12.090 17.242 ( -13.797 5.571 -5.933) 16.018 17.673 ( 2.455 1.386 12.317) 12.635 18.290 ( -0.606 0.864 -11.943) 11.989 18.533 ( 2.627 -3.857 0.148) 4.670 18.628 ( 7.031 -9.069 -12.501) 16.969 ======================= Grid point 108 (35/141) ======================= q-point: ( 0.30 0.00 0.20) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( 19.366 -9.977 21.968) 30.938 2.457 ( 30.708 -9.143 2.604) 32.146 2.798 ( 12.703 -20.316 -8.272) 25.348 3.096 ( 2.688 2.787 0.554) 3.912 3.295 ( 4.783 -1.636 -19.049) 19.708 3.672 ( 4.054 -8.612 1.419) 9.624 3.808 ( 5.783 -4.695 1.518) 7.602 3.825 ( 3.844 -2.127 -3.755) 5.779 4.127 ( 21.001 -15.988 1.748) 26.452 4.205 ( 2.756 1.925 2.819) 4.387 4.417 ( 17.252 -12.638 -3.130) 21.614 4.530 ( 7.004 -2.738 9.471) 12.094 4.560 ( 9.921 -9.334 7.785) 15.689 4.657 ( 0.827 0.292 -8.836) 8.880 4.924 ( 6.924 0.186 -6.754) 9.674 4.950 ( 2.571 0.799 0.953) 2.856 5.256 ( -6.063 7.488 1.244) 9.715 5.416 ( -2.975 -2.127 -1.177) 3.842 5.694 ( -4.187 0.207 4.240) 5.963 6.072 ( 2.583 -1.375 -2.908) 4.125 6.449 ( -10.530 2.559 -1.115) 10.894 6.506 ( -3.364 3.172 3.969) 6.094 6.587 ( -10.373 0.723 -3.692) 11.034 6.661 ( -7.532 8.111 -1.905) 11.232 6.761 ( -12.990 7.457 -1.075) 15.017 6.788 ( -5.020 5.466 -1.937) 7.670 7.072 ( -15.358 1.156 4.006) 15.914 7.129 ( -0.877 1.246 -2.595) 3.009 7.195 ( -7.558 7.161 2.402) 10.685 7.347 ( 4.053 -1.536 5.260) 6.815 7.795 ( -2.533 1.511 1.912) 3.515 7.977 ( -1.194 1.624 0.010) 2.016 8.502 ( -12.803 5.601 -3.295) 14.358 8.671 ( -5.209 3.104 -0.190) 6.067 8.775 ( -1.750 0.870 -2.170) 2.921 8.804 ( -3.997 -1.511 0.446) 4.296 8.900 ( -7.351 -1.171 -0.326) 7.451 8.963 ( 2.876 0.684 -2.532) 3.893 9.112 ( 2.625 5.970 1.215) 6.634 9.170 ( 2.050 -4.534 3.913) 6.330 9.272 ( -0.116 0.736 -2.022) 2.155 9.424 ( -3.492 -1.417 3.036) 4.840 9.798 ( -6.007 -0.130 -1.473) 6.186 9.844 ( 3.913 4.779 -1.751) 6.420 10.081 ( 0.952 -2.184 2.649) 3.562 10.183 ( -2.172 -5.172 -1.280) 5.754 11.238 ( -3.582 -2.543 -1.839) 4.763 11.452 ( -1.390 0.212 2.855) 3.182 11.515 ( -2.849 -4.442 2.168) 5.705 11.560 ( 1.042 -4.514 -0.012) 4.633 11.914 ( -9.046 6.464 0.755) 11.144 12.043 ( 0.610 2.785 -0.430) 2.884 12.204 ( -4.986 16.515 4.963) 17.951 12.374 ( -2.947 10.843 -3.321) 11.717 12.750 ( 6.445 1.911 1.681) 6.929 12.795 ( -1.772 6.255 0.046) 6.501 12.833 ( 7.697 -1.602 2.111) 8.140 13.049 ( 5.804 3.319 -8.541) 10.847 13.203 ( 8.430 -9.432 4.718) 13.501 13.490 ( 7.744 -7.265 -6.125) 12.258 13.563 ( 12.847 -3.199 -7.707) 15.319 13.792 ( 2.422 -7.487 4.287) 8.961 14.329 ( -2.720 -0.837 2.770) 3.971 14.673 ( 3.172 -7.886 4.512) 9.624 14.928 ( 12.580 -3.545 -1.728) 13.183 15.132 ( 16.388 -5.198 -2.231) 17.337 16.709 ( -14.216 7.144 2.957) 16.183 16.826 ( -20.814 9.401 -2.472) 22.972 17.788 ( 5.879 1.266 11.517) 12.993 18.217 ( -2.516 0.145 -9.854) 10.171 18.637 ( 3.115 -5.379 2.020) 6.536 18.791 ( 5.588 -7.267 -9.691) 13.340 ======================= Grid point 109 (36/141) ======================= q-point: ( 0.40 0.00 0.20) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.598 ( 10.171 -3.443 14.827) 18.307 3.042 ( 22.241 -6.567 -1.399) 23.233 3.144 ( 6.839 -0.933 1.342) 7.032 3.178 ( 11.026 -14.348 -3.285) 18.391 3.322 ( 1.383 -4.675 -16.386) 17.096 3.792 ( 0.392 -3.052 4.220) 5.223 3.834 ( -0.309 3.087 -4.181) 5.206 3.908 ( 2.440 -1.228 2.338) 3.595 4.015 ( -7.222 0.988 0.660) 7.319 4.334 ( -3.717 -0.148 1.375) 3.966 4.523 ( -1.790 0.231 -3.601) 4.028 4.562 ( 1.016 1.898 -1.831) 2.827 4.681 ( -8.307 4.670 -0.893) 9.572 4.873 ( 5.451 -2.681 5.029) 7.886 5.085 ( 2.160 5.117 -0.919) 5.630 5.201 ( 16.109 -11.297 1.551) 19.736 5.339 ( 14.639 -8.551 1.743) 17.043 5.504 ( 1.223 -5.626 1.780) 6.027 5.690 ( 6.770 -4.646 2.417) 8.559 6.070 ( -2.148 0.452 -2.377) 3.236 6.284 ( -3.615 -4.494 2.261) 6.194 6.334 ( -9.510 6.462 -8.094) 14.061 6.433 ( -8.167 4.948 3.247) 10.086 6.488 ( -5.550 -0.505 6.822) 8.809 6.536 ( -0.334 2.726 -1.759) 3.262 6.719 ( 3.773 6.587 -7.344) 10.562 6.850 ( -8.968 -1.576 -1.132) 9.176 7.092 ( -0.399 0.938 1.614) 1.909 7.159 ( 2.877 1.802 0.243) 3.404 7.494 ( 6.516 -3.261 5.472) 9.112 7.727 ( -3.545 3.301 -0.898) 4.926 7.974 ( 0.365 -1.405 3.259) 3.568 8.133 ( -15.945 7.870 -3.368) 18.098 8.433 ( -11.922 9.245 -0.452) 15.093 8.723 ( -1.884 0.487 -0.630) 2.046 8.790 ( -4.148 -4.159 -0.402) 5.888 8.804 ( -1.621 -0.202 -1.026) 1.929 9.002 ( 3.684 2.829 -2.812) 5.430 9.093 ( 3.235 4.038 -3.048) 6.005 9.229 ( -1.450 -1.115 -0.293) 1.852 9.254 ( -0.591 0.350 1.957) 2.074 9.424 ( -1.163 -4.293 4.286) 6.176 9.662 ( -6.895 1.186 2.604) 7.465 9.873 ( 2.920 1.634 -0.203) 3.352 10.149 ( 3.829 -1.423 -0.020) 4.085 10.266 ( 2.503 -8.692 -2.154) 9.298 11.147 ( -7.340 0.184 -2.678) 7.815 11.353 ( -14.990 -3.303 3.608) 15.768 11.454 ( -0.205 1.704 1.662) 2.389 11.620 ( 1.176 -2.165 0.504) 2.515 11.828 ( 3.270 -0.223 2.737) 4.270 11.959 ( -2.904 14.241 1.497) 14.611 12.186 ( 8.425 -4.779 -2.365) 9.971 12.220 ( 1.378 12.091 0.487) 12.179 12.638 ( -7.705 5.269 3.985) 10.149 12.770 ( 0.299 7.123 0.704) 7.164 12.910 ( -1.958 -3.499 1.334) 4.226 13.055 ( 2.980 1.710 -5.029) 6.091 13.397 ( 3.214 -5.039 0.330) 5.985 13.626 ( 7.843 1.347 -11.938) 14.347 13.712 ( -0.105 -4.552 1.387) 4.760 13.973 ( 9.169 -3.625 -4.369) 10.784 14.310 ( -1.703 -0.885 4.457) 4.852 14.795 ( 0.846 -5.355 3.961) 6.714 15.231 ( 15.666 -6.844 0.675) 17.110 15.503 ( 17.746 -6.659 -0.639) 18.966 16.329 ( -19.961 11.787 1.959) 23.264 16.372 ( -17.260 6.057 0.641) 18.303 17.894 ( 4.045 1.872 6.573) 7.942 18.150 ( -2.126 -0.940 -6.814) 7.199 18.745 ( 1.970 -3.728 2.621) 4.965 18.911 ( 3.923 -4.462 -5.931) 8.395 ======================= Grid point 110 (37/141) ======================= q-point: (-0.50 0.00 0.20) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.662 ( -4.741 5.626 6.611) 9.892 3.213 ( 2.440 -0.370 3.878) 4.597 3.339 ( -0.579 -6.661 -14.114) 15.618 3.375 ( 3.839 -4.032 -0.422) 5.583 3.447 ( 2.749 0.812 -0.635) 2.936 3.729 ( -2.260 6.450 3.457) 7.659 3.814 ( -0.797 0.805 -1.291) 1.717 3.923 ( -1.146 -2.397 0.149) 2.661 3.944 ( 1.584 0.288 0.210) 1.624 4.251 ( -3.259 -0.819 -2.190) 4.011 4.505 ( 1.454 2.388 0.886) 2.933 4.520 ( -0.288 -0.006 -0.305) 0.420 4.629 ( 3.652 -3.758 -2.323) 5.732 4.870 ( -4.599 -0.935 4.585) 6.561 5.143 ( 6.044 2.864 -4.699) 8.174 5.362 ( 1.018 0.640 1.820) 2.182 5.477 ( -4.680 0.272 9.410) 10.513 5.532 ( -0.852 -1.025 -0.828) 1.569 5.898 ( -1.763 0.487 -0.624) 1.932 6.066 ( -0.357 -2.081 -1.491) 2.585 6.105 ( 0.843 5.952 -5.587) 8.206 6.295 ( -0.853 2.845 2.227) 3.712 6.353 ( -5.759 -14.632 2.347) 15.898 6.492 ( 4.417 2.938 7.942) 9.551 6.547 ( 1.613 -2.230 0.708) 2.842 6.715 ( 1.749 5.599 -6.041) 8.420 6.804 ( 1.424 -3.013 -5.269) 6.235 7.105 ( 1.323 1.095 -0.620) 1.825 7.187 ( 2.235 1.787 -1.038) 3.044 7.461 ( -12.078 7.560 2.076) 14.399 7.703 ( 5.826 -2.806 1.261) 6.588 7.960 ( -0.683 -5.721 3.909) 6.963 8.025 ( 2.139 1.482 -0.955) 2.772 8.208 ( 1.208 2.026 -1.151) 2.624 8.701 ( 0.759 1.316 -0.853) 1.743 8.757 ( -1.193 -1.192 1.476) 2.241 8.799 ( -1.614 -2.699 -3.402) 4.633 9.015 ( 0.379 0.845 -1.590) 1.841 9.106 ( 2.764 3.121 -4.628) 6.229 9.219 ( -1.551 0.742 -0.546) 1.804 9.231 ( 1.727 -0.402 0.529) 1.850 9.486 ( 1.621 -3.175 5.873) 6.871 9.557 ( -4.899 0.254 2.234) 5.390 9.915 ( 1.794 -0.611 2.715) 3.311 10.201 ( 1.124 2.929 -1.265) 3.383 10.347 ( -1.915 -2.992 -2.721) 4.475 11.058 ( 3.878 3.038 -2.884) 5.709 11.200 ( -4.238 -4.700 3.921) 7.445 11.455 ( -0.223 -0.579 2.424) 2.502 11.633 ( -0.221 1.520 -0.357) 1.577 11.829 ( 0.287 6.532 1.322) 6.671 11.988 ( 2.303 -13.442 1.247) 13.694 12.111 ( 0.252 9.380 3.928) 10.172 12.348 ( -0.618 -2.785 -1.897) 3.426 12.489 ( -2.560 3.444 0.951) 4.395 12.707 ( -0.114 -2.097 2.552) 3.304 12.905 ( -2.104 -1.830 0.608) 2.854 13.075 ( 2.655 2.027 -3.073) 4.539 13.461 ( 1.548 -0.903 -2.928) 3.432 13.650 ( 2.597 4.553 -13.576) 14.552 13.722 ( -4.620 -4.679 6.327) 9.125 14.073 ( 2.401 1.611 -8.485) 8.964 14.307 ( -0.384 1.143 3.492) 3.694 14.830 ( -3.238 -2.818 4.497) 6.217 15.549 ( 3.865 -2.598 2.246) 5.170 15.809 ( 2.747 0.104 -0.029) 2.749 15.931 ( -3.381 7.546 3.911) 9.148 16.119 ( -0.648 -3.898 -0.655) 4.005 17.901 ( -3.287 2.336 2.267) 4.626 18.146 ( 2.490 -2.087 -3.709) 4.931 18.772 ( -1.185 1.281 1.114) 2.070 18.988 ( 2.407 -1.919 -2.561) 4.004 ======================= Grid point 111 (38/141) ======================= q-point: (-0.40 0.00 0.20) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.411 ( -14.879 10.625 6.895) 19.540 3.106 ( -20.673 13.047 0.527) 24.451 3.180 ( -11.746 1.380 -0.228) 11.829 3.281 ( -4.251 3.819 -2.022) 6.062 3.428 ( 2.070 -3.181 -5.547) 6.721 3.652 ( -0.297 6.718 0.343) 6.733 3.758 ( -3.205 2.866 -4.378) 6.137 3.969 ( 1.354 0.002 1.215) 1.819 4.110 ( 10.026 -6.483 2.084) 12.120 4.235 ( -0.574 -3.228 -0.067) 3.280 4.463 ( 0.240 3.051 -3.063) 4.330 4.633 ( 3.266 -1.580 -2.544) 4.431 4.730 ( -0.447 -1.076 -1.464) 1.871 4.870 ( 0.799 -5.219 6.839) 8.640 5.083 ( -11.669 5.835 -0.027) 13.046 5.190 ( -10.264 8.789 -1.620) 13.610 5.296 ( -15.245 8.357 2.812) 17.611 5.542 ( 5.830 1.770 3.307) 6.933 5.698 ( -8.135 4.392 2.651) 9.617 6.110 ( 5.334 -3.231 -5.014) 8.002 6.180 ( 3.274 -3.523 0.321) 4.820 6.300 ( -0.052 1.998 -2.085) 2.888 6.374 ( 3.509 -3.205 3.664) 6.000 6.582 ( -4.926 -2.208 -6.743) 8.638 6.648 ( 8.492 -7.932 7.113) 13.625 6.698 ( 11.698 4.796 -0.782) 12.667 6.893 ( 4.645 -6.915 -1.958) 8.557 7.079 ( 0.152 3.648 -5.419) 6.534 7.174 ( -0.684 3.391 0.049) 3.460 7.266 ( -5.488 0.400 4.784) 7.291 7.771 ( 0.307 0.893 1.946) 2.163 7.961 ( 1.029 -1.188 1.215) 1.987 8.295 ( 15.482 -10.505 1.973) 18.813 8.401 ( 13.662 -5.015 -1.734) 14.657 8.713 ( 2.601 1.717 -1.799) 3.599 8.766 ( -0.693 -0.693 -2.053) 2.275 8.802 ( 2.477 -1.625 0.080) 2.964 8.976 ( -4.313 -1.847 -2.463) 5.299 9.103 ( 0.704 0.409 -1.398) 1.617 9.200 ( -0.008 1.545 1.457) 2.123 9.288 ( 4.713 2.549 -1.407) 5.540 9.480 ( -4.822 -1.707 5.090) 7.216 9.604 ( 5.713 -3.739 1.612) 7.015 9.943 ( -0.776 0.927 1.741) 2.120 10.132 ( -2.747 3.334 0.102) 4.321 10.247 ( -3.853 4.496 -3.256) 6.757 11.207 ( 12.946 1.227 -3.727) 13.527 11.309 ( 7.705 0.132 4.997) 9.184 11.466 ( -0.082 -0.299 2.014) 2.037 11.603 ( -0.771 0.411 0.013) 0.874 11.822 ( 0.921 -1.808 1.928) 2.799 11.998 ( -3.273 -0.527 3.017) 4.482 12.181 ( -10.271 -4.430 0.448) 11.194 12.225 ( 2.819 -11.278 -1.866) 11.774 12.602 ( 7.264 -6.999 1.794) 10.246 12.785 ( 0.279 -5.605 3.026) 6.376 12.869 ( -3.319 -0.119 -0.309) 3.335 13.094 ( 3.111 2.679 -2.418) 4.764 13.460 ( 0.145 1.323 -5.746) 5.898 13.556 ( -1.843 5.890 -13.203) 14.574 13.678 ( -7.414 -1.937 6.716) 10.190 13.974 ( -8.358 3.785 -0.422) 9.185 14.284 ( 1.545 5.177 -3.068) 6.213 14.765 ( -7.665 -0.566 5.758) 9.603 15.331 ( -13.424 9.942 2.967) 16.966 15.497 ( -16.460 7.269 -1.215) 18.035 16.326 ( 24.301 -10.135 1.979) 26.404 16.379 ( 14.826 -8.446 0.778) 17.081 17.756 ( -9.020 3.661 0.555) 9.751 18.241 ( 5.340 -2.757 -1.873) 6.295 18.698 ( -3.012 4.966 0.264) 5.814 19.011 ( 0.248 0.853 -2.439) 2.596 ======================= Grid point 112 (39/141) ======================= q-point: (-0.30 0.00 0.20) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.000 ( -20.646 12.283 14.268) 27.941 2.484 ( -26.419 21.472 2.998) 34.176 2.881 ( -18.575 2.330 -7.807) 20.283 3.178 ( -3.295 4.076 3.677) 6.402 3.457 ( -0.758 -0.932 -7.140) 7.240 3.549 ( -1.214 9.351 -3.694) 10.128 3.643 ( -3.081 2.886 -5.357) 6.821 3.928 ( -7.439 4.658 -0.185) 8.779 4.100 ( -37.066 20.857 1.042) 42.544 4.251 ( -5.348 3.158 0.612) 6.241 4.355 ( -2.177 -1.085 4.954) 5.519 4.409 ( 0.203 0.813 0.119) 0.846 4.512 ( -17.413 6.244 0.429) 18.504 4.788 ( -1.169 -0.963 -3.367) 3.692 4.943 ( -6.428 2.513 0.618) 6.930 5.108 ( 7.129 3.001 7.557) 10.814 5.199 ( 3.743 -7.831 -5.167) 10.101 5.514 ( -2.830 2.516 -1.923) 4.247 5.648 ( 2.715 1.669 5.970) 6.767 6.124 ( -4.794 -1.658 -3.354) 6.081 6.288 ( 7.969 -4.681 -4.110) 10.115 6.437 ( 3.729 -0.743 2.817) 4.732 6.549 ( 16.532 -4.910 -2.699) 17.456 6.625 ( 6.676 -2.202 -2.127) 7.344 6.877 ( 11.968 -5.327 2.707) 13.377 6.990 ( 15.682 -6.405 1.284) 16.988 7.034 ( 2.182 1.171 -4.972) 5.554 7.120 ( 10.311 -8.531 -2.574) 13.628 7.150 ( -0.233 -2.293 5.167) 5.658 7.230 ( 0.305 -0.472 4.035) 4.074 7.789 ( 1.468 -0.613 3.021) 3.415 7.996 ( 1.095 -0.682 -0.020) 1.290 8.607 ( 9.495 -0.941 -1.169) 9.613 8.666 ( 9.752 0.938 -1.880) 9.976 8.753 ( 3.802 0.197 -2.585) 4.601 8.782 ( 2.881 -5.984 1.214) 6.752 8.870 ( 0.601 2.333 -1.340) 2.756 8.943 ( 0.951 -6.604 -1.106) 6.763 9.129 ( 0.211 -2.665 0.713) 2.767 9.149 ( -3.543 2.938 3.394) 5.719 9.328 ( 3.019 1.646 -1.500) 3.751 9.444 ( -2.888 -0.893 3.908) 4.941 9.762 ( 4.187 -2.148 -1.950) 5.094 9.866 ( -1.605 0.987 -1.666) 2.515 10.067 ( -2.281 0.813 1.788) 3.010 10.214 ( 3.823 1.636 0.137) 4.161 11.336 ( 4.647 6.590 -4.129) 9.059 11.378 ( 2.153 4.440 4.446) 6.642 11.454 ( -0.747 0.912 1.443) 1.863 11.588 ( -1.095 1.035 1.166) 1.905 11.971 ( 9.094 -3.493 3.263) 10.274 12.020 ( 4.354 -8.489 -2.058) 9.760 12.153 ( -0.948 -11.927 2.159) 12.158 12.450 ( 5.444 -12.571 0.353) 13.703 12.692 ( -7.496 -6.769 -0.055) 10.100 12.769 ( -7.293 0.330 -1.639) 7.482 12.891 ( 3.295 -4.516 6.375) 8.479 13.079 ( -3.477 2.733 -2.840) 5.256 13.366 ( -5.110 5.920 -13.095) 15.253 13.414 ( -10.546 4.353 1.873) 11.562 13.487 ( -6.076 4.636 -4.006) 8.629 13.753 ( -9.918 6.122 5.996) 13.107 14.254 ( 2.837 4.235 -5.521) 7.514 14.628 ( -8.915 0.232 7.411) 11.595 15.021 ( -10.007 9.521 -0.230) 13.815 15.153 ( -13.591 5.990 -1.543) 14.932 16.692 ( 12.379 -7.022 1.757) 14.340 16.902 ( 23.639 -11.618 -0.029) 26.340 17.553 ( -7.382 5.156 1.623) 9.150 18.353 ( 4.152 -2.565 -1.515) 5.111 18.586 ( -3.194 5.246 -0.331) 6.151 18.966 ( -1.465 3.223 -5.339) 6.406 ======================= Grid point 113 (40/141) ======================= q-point: (-0.20 0.00 0.20) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( -22.888 11.279 26.988) 37.141 1.764 ( -27.243 27.855 5.814) 39.394 2.457 ( -21.919 1.758 -12.395) 25.243 2.887 ( -56.192 25.416 5.484) 61.916 3.054 ( -8.974 12.879 3.811) 16.153 3.305 ( -10.890 12.596 -17.390) 24.076 3.421 ( -2.876 7.551 3.409) 8.770 3.600 ( -0.660 0.675 -4.828) 4.920 3.718 ( -18.229 10.362 0.583) 20.977 3.800 ( -6.718 4.249 -2.932) 8.473 4.260 ( -8.930 -0.826 3.397) 9.590 4.369 ( 1.519 -1.578 1.946) 2.930 4.631 ( 4.652 -7.725 3.146) 9.551 4.716 ( -8.935 4.509 0.411) 10.016 4.905 ( 8.008 -2.261 -7.221) 11.017 5.139 ( -1.313 2.580 -4.010) 4.946 5.376 ( 9.858 -4.014 1.697) 10.779 5.559 ( 1.605 -4.586 5.922) 7.660 5.733 ( 7.898 0.227 1.183) 7.990 6.057 ( -4.117 -3.450 -3.249) 6.278 6.432 ( 4.707 -2.203 -1.996) 5.567 6.516 ( 3.754 -1.281 0.179) 3.970 6.651 ( 3.215 3.461 -5.530) 7.273 6.909 ( 10.222 -2.074 1.715) 10.570 7.038 ( 1.572 1.181 -4.275) 4.706 7.090 ( -3.020 -4.057 7.072) 8.695 7.308 ( 18.523 -9.515 3.577) 21.129 7.359 ( 18.291 -8.189 -1.271) 20.081 7.444 ( 17.587 -9.489 2.058) 20.089 7.495 ( 16.534 -9.528 0.186) 19.084 7.852 ( 1.723 -4.277 2.626) 5.306 8.020 ( 1.504 -0.541 -0.446) 1.659 8.658 ( 2.743 3.781 -1.602) 4.938 8.756 ( 3.868 5.936 -2.100) 7.390 8.784 ( 3.291 4.415 0.499) 5.529 8.844 ( 1.607 0.266 -0.394) 1.676 8.900 ( 3.368 2.405 -2.500) 4.835 8.997 ( -6.004 -1.110 3.912) 7.252 9.086 ( 1.291 -2.032 1.089) 2.642 9.177 ( -2.358 -6.508 1.847) 7.164 9.336 ( -5.770 -4.688 -0.253) 7.439 9.425 ( 2.064 1.504 1.245) 2.841 9.651 ( -7.138 3.590 -4.008) 8.939 9.946 ( -1.017 -4.159 -4.399) 6.139 10.113 ( 7.615 -2.625 3.437) 8.757 10.264 ( 0.546 2.175 3.641) 4.276 11.241 ( -4.050 6.996 -1.339) 8.194 11.398 ( 3.910 2.758 1.825) 5.121 11.469 ( 0.965 -2.084 2.256) 3.220 11.573 ( 0.397 -0.770 -0.174) 0.884 12.143 ( -10.960 -0.588 5.633) 12.337 12.189 ( 6.965 -1.125 0.225) 7.059 12.327 ( 6.959 -12.196 2.934) 14.345 12.453 ( -11.346 6.673 1.173) 13.215 12.574 ( -5.528 -0.384 -0.818) 5.601 12.692 ( 1.145 -3.874 0.352) 4.055 12.827 ( -11.561 -0.451 -2.334) 11.803 12.933 ( -5.001 -2.754 0.520) 5.733 13.124 ( -5.727 7.168 -6.158) 11.050 13.187 ( -10.282 -0.406 -2.249) 10.533 13.468 ( 0.123 5.386 -5.079) 7.404 13.508 ( -6.839 6.737 -7.419) 12.133 14.284 ( 4.198 -0.466 -2.835) 5.087 14.527 ( -4.750 -0.567 6.832) 8.340 14.787 ( -6.107 7.004 -2.520) 9.628 14.879 ( -9.544 6.189 -2.481) 11.642 16.959 ( 9.474 -5.257 2.893) 11.215 17.304 ( 6.417 -5.096 -7.855) 11.351 17.505 ( 9.057 -0.633 8.774) 12.626 18.414 ( 0.725 -1.501 -1.746) 2.414 18.486 ( -2.506 3.566 -0.941) 4.459 18.852 ( -3.882 5.518 -13.922) 15.471 ======================= Grid point 114 (41/141) ======================= q-point: (-0.10 0.00 0.20) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( -23.679 35.628 11.955) 44.418 1.153 ( -22.244 8.486 40.220) 46.738 1.606 ( -60.228 20.459 17.972) 66.099 2.043 ( -18.329 -3.112 -16.028) 24.547 2.379 ( -23.558 29.737 -9.757) 39.173 3.130 ( -2.197 2.153 3.479) 4.644 3.327 ( -1.967 5.677 2.509) 6.511 3.516 ( -2.875 1.029 -3.137) 4.378 3.579 ( -1.589 0.349 -3.879) 4.206 3.689 ( 0.662 -0.263 -15.957) 15.973 4.117 ( -7.117 2.059 3.015) 7.999 4.444 ( 1.822 -1.137 3.598) 4.190 4.512 ( -3.982 -1.650 0.588) 4.350 4.809 ( 3.033 -4.262 4.908) 7.173 5.004 ( 1.964 0.425 -7.910) 8.162 5.108 ( 3.059 -0.799 -7.535) 8.172 5.596 ( 9.126 -0.615 5.308) 10.576 5.620 ( 0.490 -2.084 7.777) 8.067 5.893 ( 5.435 -3.178 -0.308) 6.303 6.036 ( -1.136 -4.047 -2.515) 4.898 6.500 ( 2.563 0.520 1.411) 2.971 6.598 ( 3.787 -2.602 -3.522) 5.789 6.647 ( 2.931 3.271 -5.262) 6.854 7.009 ( -1.546 -1.586 -0.831) 2.366 7.049 ( 4.057 1.613 0.798) 4.438 7.079 ( -2.541 -3.791 5.951) 7.499 7.749 ( 18.390 -6.547 4.612) 20.058 7.813 ( 16.671 -3.625 2.278) 17.212 7.859 ( 17.185 -7.959 -0.493) 18.945 7.888 ( 15.688 -10.643 0.977) 18.982 7.947 ( 0.236 -10.308 0.798) 10.342 8.099 ( 6.663 -2.385 2.502) 7.506 8.643 ( -2.293 2.427 -0.078) 3.340 8.724 ( 4.168 7.332 -1.828) 8.630 8.772 ( 0.902 5.862 0.390) 5.944 8.835 ( 1.374 8.168 -0.860) 8.327 8.886 ( -2.990 0.355 2.154) 3.702 8.959 ( 6.117 2.498 0.543) 6.629 9.069 ( -6.851 -3.894 -0.518) 7.897 9.165 ( -8.614 -3.362 3.751) 9.978 9.269 ( -2.221 -3.095 0.457) 3.837 9.435 ( -4.918 -0.629 -1.346) 5.137 9.483 ( -9.246 -6.606 -0.914) 11.400 9.874 ( -8.497 2.492 -3.777) 9.627 10.022 ( -20.116 17.848 5.411) 27.431 10.308 ( 6.648 -2.651 -0.883) 7.211 11.046 ( -6.933 4.871 -0.419) 8.483 11.482 ( 4.088 -1.327 3.032) 5.260 11.521 ( 3.170 0.580 0.836) 3.330 11.620 ( -3.857 -3.890 2.753) 6.131 11.707 ( -6.748 3.632 0.077) 7.664 12.274 ( -3.840 0.776 -1.074) 4.062 12.337 ( -5.273 6.714 -3.522) 9.235 12.540 ( 7.897 1.382 -1.916) 8.243 12.580 ( 8.565 -3.657 3.297) 9.880 12.655 ( -9.533 6.749 -13.185) 17.614 12.732 ( -1.496 -1.768 -4.273) 4.861 12.854 ( -4.043 1.980 -3.846) 5.921 12.976 ( -7.984 -5.108 -10.407) 14.076 13.010 ( -11.436 -4.036 -4.511) 12.940 13.172 ( -14.203 10.932 -7.770) 19.534 13.275 ( -15.814 14.686 -24.184) 32.413 14.379 ( 4.707 -2.642 -1.211) 5.532 14.507 ( -0.664 -0.114 3.624) 3.686 14.631 ( -5.131 2.516 -1.924) 6.030 14.686 ( -3.294 6.168 -1.149) 7.086 17.148 ( 5.301 -3.102 3.935) 7.294 17.342 ( 2.394 0.309 -4.083) 4.743 17.751 ( 7.181 -3.992 4.096) 9.180 18.389 ( -6.161 1.402 -11.752) 13.343 18.421 ( -1.551 1.352 -0.494) 2.116 18.538 ( -14.489 12.889 -22.748) 29.892 ======================= Grid point 116 (42/141) ======================= q-point: ( 0.10 0.10 0.20) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( 22.139 -0.000 28.687) 36.237 1.707 ( 34.002 -0.000 15.472) 37.356 2.089 ( 18.283 -0.000 -17.038) 24.991 2.543 ( 59.653 -0.000 8.779) 60.295 3.091 ( 39.847 -0.000 -9.991) 41.081 3.167 ( 1.007 -0.000 -4.205) 4.324 3.327 ( 7.781 -0.000 3.381) 8.484 3.520 ( 5.524 -0.000 -12.868) 14.003 3.722 ( 6.692 -0.000 -0.129) 6.693 3.734 ( 8.027 -0.000 -0.538) 8.045 4.240 ( 10.149 -0.000 3.261) 10.660 4.459 ( 1.182 -0.000 3.205) 3.416 4.534 ( -4.773 0.000 2.052) 5.195 4.722 ( 3.612 -0.000 1.427) 3.884 4.767 ( -5.391 0.000 -11.184) 12.416 5.097 ( -2.573 0.000 -3.975) 4.735 5.475 ( -7.753 0.000 6.268) 9.970 5.658 ( -11.391 0.000 -3.070) 11.797 5.732 ( -3.434 0.000 8.100) 8.798 6.033 ( 0.665 -0.000 -5.633) 5.672 6.510 ( -1.754 0.000 0.811) 1.933 6.669 ( -5.732 0.000 -1.221) 5.860 6.749 ( -0.558 0.000 -6.477) 6.501 6.779 ( 2.644 -0.000 -3.973) 4.772 6.914 ( -0.158 0.000 6.729) 6.731 7.218 ( -2.331 0.000 4.205) 4.808 7.342 ( -25.980 0.000 -0.182) 25.981 7.425 ( -22.101 0.000 4.736) 22.602 7.529 ( -21.576 0.000 0.666) 21.587 7.592 ( -18.735 0.000 -0.063) 18.736 7.950 ( -7.338 0.000 1.496) 7.489 8.083 ( -5.858 0.000 1.449) 6.035 8.633 ( -2.352 0.000 -1.726) 2.917 8.709 ( -0.511 0.000 1.061) 1.177 8.760 ( -2.818 0.000 -1.823) 3.356 8.819 ( 1.779 -0.000 3.172) 3.637 8.901 ( 5.263 -0.000 4.885) 7.180 8.907 ( -2.127 0.000 -3.991) 4.523 9.060 ( 5.788 -0.000 -4.481) 7.320 9.197 ( 2.598 -0.000 -0.201) 2.606 9.329 ( 2.924 -0.000 0.847) 3.044 9.546 ( 0.495 -0.000 1.217) 1.314 9.757 ( 0.676 -0.000 4.179) 4.233 9.829 ( -4.022 0.000 -9.651) 10.455 10.076 ( 6.382 -0.000 -0.914) 6.447 10.254 ( -9.822 0.000 5.806) 11.410 11.323 ( 2.445 -0.000 4.077) 4.754 11.325 ( -4.473 0.000 -2.698) 5.224 11.402 ( 3.836 -0.000 -0.311) 3.849 11.568 ( -1.915 0.000 0.575) 1.999 12.060 ( 31.930 -0.000 4.223) 32.208 12.252 ( -10.535 0.000 -1.526) 10.645 12.258 ( -2.384 0.000 1.210) 2.674 12.506 ( -2.407 0.000 -0.371) 2.435 12.551 ( 10.419 -0.000 1.240) 10.493 12.728 ( 6.964 -0.000 1.689) 7.166 12.784 ( -2.469 0.000 -1.005) 2.665 13.015 ( 8.258 -0.000 -5.245) 9.783 13.068 ( 6.151 -0.000 -2.419) 6.610 13.235 ( 14.066 -0.000 -2.381) 14.266 13.293 ( 5.568 -0.000 -1.419) 5.746 13.403 ( 19.440 -0.000 -16.536) 25.521 14.368 ( -2.386 0.000 0.222) 2.397 14.473 ( -1.950 0.000 7.331) 7.586 14.758 ( 13.222 -0.000 -7.751) 15.327 14.770 ( 8.635 -0.000 -0.361) 8.642 17.043 ( -10.028 0.000 3.545) 10.636 17.294 ( -12.443 0.000 -5.368) 13.552 17.694 ( 1.555 -0.000 11.410) 11.515 18.362 ( 6.287 -0.000 -25.564) 26.326 18.455 ( 2.705 -0.000 -0.403) 2.735 18.488 ( 1.989 -0.000 -0.447) 2.039 ======================= Grid point 117 (43/141) ======================= q-point: ( 0.20 0.10 0.20) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( 25.408 -3.754 21.762) 33.663 2.341 ( 30.632 -2.145 10.573) 32.476 2.450 ( 19.475 -10.746 -11.869) 25.212 3.159 ( 1.801 2.228 -2.602) 3.870 3.302 ( 3.590 1.970 -18.436) 18.886 3.508 ( 7.601 -6.062 -0.522) 9.736 3.610 ( 39.403 -10.524 1.391) 40.808 3.777 ( 6.867 -2.007 -5.500) 9.024 3.881 ( 14.424 -2.632 2.980) 14.962 4.152 ( 33.926 -8.345 2.279) 35.011 4.322 ( -7.264 5.072 1.278) 8.951 4.448 ( 3.314 -3.762 4.500) 6.737 4.510 ( 2.350 -0.335 8.839) 9.152 4.657 ( -0.458 -0.019 -9.602) 9.613 4.908 ( 13.038 0.026 -0.958) 13.074 5.024 ( -3.623 2.291 -2.433) 4.929 5.346 ( -5.675 0.761 0.789) 5.780 5.415 ( -12.041 1.616 -2.186) 12.344 5.711 ( -2.082 0.893 7.501) 7.836 6.037 ( 1.104 -1.342 -5.241) 5.521 6.453 ( -6.862 -0.428 -0.889) 6.932 6.559 ( -5.291 1.107 -2.259) 5.859 6.607 ( -14.260 0.856 -2.388) 14.484 6.781 ( 0.006 2.076 -5.318) 5.709 6.864 ( -15.536 5.460 -2.751) 16.695 6.888 ( -9.678 2.157 5.642) 11.408 7.056 ( -20.745 -2.164 5.679) 21.617 7.127 ( -6.245 -0.470 -1.913) 6.548 7.308 ( -7.923 3.034 3.936) 9.353 7.338 ( -1.422 -0.423 5.416) 5.615 7.847 ( -2.776 2.928 2.355) 4.671 7.996 ( -4.022 -0.364 -0.334) 4.052 8.587 ( -2.918 2.527 -4.518) 5.942 8.687 ( -3.572 -5.380 -2.361) 6.876 8.728 ( -1.284 2.816 2.500) 3.978 8.814 ( -3.150 0.835 -3.579) 4.840 8.878 ( -1.562 -2.595 1.619) 3.435 9.018 ( 4.373 1.752 3.828) 6.070 9.113 ( 4.077 2.474 -2.018) 5.178 9.186 ( -1.722 0.513 -0.127) 1.801 9.338 ( 0.836 2.308 0.470) 2.499 9.477 ( -4.969 6.592 2.146) 8.529 9.728 ( -4.805 -4.386 -6.491) 9.190 9.810 ( -1.143 -7.471 2.049) 7.831 10.051 ( -3.939 0.783 -2.075) 4.521 10.126 ( -5.896 -0.882 3.712) 7.023 11.210 ( -7.088 1.312 -1.444) 7.352 11.311 ( -7.521 -7.124 0.996) 10.407 11.485 ( 3.475 -2.356 0.175) 4.202 11.541 ( -0.714 2.028 1.717) 2.752 12.047 ( -5.443 5.947 1.910) 8.285 12.077 ( -5.221 1.069 -1.081) 5.438 12.409 ( -8.496 -4.834 -0.191) 9.777 12.541 ( -9.134 8.286 3.924) 12.941 12.719 ( 14.794 0.611 2.741) 15.058 12.836 ( 12.437 5.991 -0.779) 13.826 13.008 ( 19.771 -7.363 -0.289) 21.099 13.058 ( 3.378 10.764 -2.458) 11.546 13.116 ( -0.192 -1.466 -2.468) 2.877 13.395 ( 13.364 0.406 -6.571) 14.898 13.512 ( 11.545 -3.538 -3.291) 12.516 13.635 ( 8.028 -6.035 -0.552) 10.058 14.340 ( -0.867 1.277 2.399) 2.853 14.526 ( 2.165 -4.930 10.327) 11.646 14.927 ( 12.038 2.266 -2.311) 12.466 15.031 ( 15.568 -4.348 -5.416) 17.047 16.813 ( -15.235 2.718 3.627) 15.895 16.949 ( -21.232 2.813 -3.136) 21.646 17.832 ( 8.616 1.987 13.857) 16.437 18.301 ( 1.618 7.408 -16.666) 18.310 18.534 ( 1.319 -3.482 1.086) 3.879 18.583 ( 3.938 -11.205 -7.183) 13.880 ======================= Grid point 118 (44/141) ======================= q-point: ( 0.30 0.10 0.20) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.561 ( 20.870 -0.466 17.713) 27.378 2.839 ( 16.570 -11.813 -6.172) 21.265 2.936 ( 25.283 -6.215 4.030) 26.345 3.177 ( 3.921 1.461 -3.776) 5.636 3.282 ( 1.713 0.596 -13.518) 13.639 3.685 ( 5.710 -5.919 -1.867) 8.433 3.837 ( 3.006 -1.352 -6.121) 6.952 3.908 ( 4.129 0.126 4.736) 6.285 4.067 ( -9.731 2.925 -0.708) 10.185 4.325 ( 0.498 -0.408 -0.805) 1.031 4.434 ( 0.980 -5.877 -4.534) 7.487 4.587 ( -0.062 -1.907 4.751) 5.120 4.744 ( 4.963 -2.644 5.423) 7.812 4.791 ( 7.013 -0.753 2.344) 7.433 4.998 ( 11.860 -2.720 2.958) 12.523 5.118 ( 8.495 -5.344 -0.199) 10.038 5.256 ( 6.266 2.698 -2.062) 7.127 5.389 ( 6.707 -4.559 -3.389) 8.789 5.680 ( -0.924 2.230 6.646) 7.071 6.053 ( -1.854 -2.145 -3.720) 4.677 6.220 ( -14.260 -1.596 -1.297) 14.407 6.297 ( -16.734 -2.876 -3.719) 17.382 6.478 ( -3.448 0.359 0.510) 3.504 6.596 ( -5.962 5.984 4.473) 9.558 6.658 ( -6.817 6.091 -5.666) 10.755 6.786 ( -3.906 -0.736 -3.292) 5.161 6.855 ( -0.269 1.701 0.740) 1.875 7.075 ( -1.650 -2.266 -2.113) 3.511 7.234 ( 1.831 4.603 5.705) 7.556 7.441 ( 5.922 -2.592 7.975) 10.266 7.796 ( 0.084 3.887 1.035) 4.023 7.958 ( -0.767 -1.428 0.948) 1.878 8.374 ( -10.755 13.057 -6.861) 18.255 8.612 ( -6.814 7.634 2.560) 10.549 8.693 ( -1.565 -5.116 -2.537) 5.921 8.734 ( -2.735 0.659 -1.199) 3.058 8.832 ( -1.849 2.479 -1.467) 3.423 9.079 ( 5.470 2.375 1.738) 6.211 9.133 ( -2.562 -0.451 -1.033) 2.799 9.185 ( -0.065 -0.883 1.165) 1.464 9.321 ( -0.905 7.624 0.198) 7.680 9.349 ( -1.469 -3.065 2.482) 4.209 9.651 ( -6.394 -2.818 -0.422) 7.000 9.874 ( 0.638 -2.886 -2.073) 3.610 10.044 ( 0.326 -9.559 0.669) 9.588 10.097 ( -0.319 -3.877 0.796) 3.971 11.034 ( -13.219 -4.367 -2.042) 14.071 11.191 ( -16.468 -9.353 1.711) 19.016 11.488 ( -2.034 1.771 0.314) 2.715 11.569 ( 1.974 -2.386 1.003) 3.255 11.923 ( -0.913 7.460 2.204) 7.832 12.066 ( 0.741 -2.568 -1.142) 2.906 12.269 ( -7.371 6.820 2.387) 10.321 12.363 ( -2.921 -3.723 1.301) 4.908 12.794 ( -4.633 12.484 2.025) 13.469 12.876 ( -3.123 2.533 -0.808) 4.101 12.904 ( 1.606 5.998 0.792) 6.260 13.135 ( 4.120 3.119 -0.189) 5.171 13.348 ( 12.719 0.430 -9.681) 15.990 13.602 ( -0.021 -4.462 3.319) 5.562 13.676 ( 12.642 0.386 -5.608) 13.836 13.909 ( 16.737 -2.141 -8.120) 18.726 14.324 ( -0.385 2.166 6.975) 7.313 14.678 ( 3.587 -5.933 9.654) 11.886 15.138 ( 12.665 -1.682 -0.440) 12.784 15.366 ( 17.240 -6.293 -3.776) 18.737 16.476 ( -18.876 4.174 0.961) 19.356 16.513 ( -21.385 5.599 1.761) 22.176 17.985 ( 8.063 6.265 9.055) 13.647 18.209 ( 1.309 6.583 -10.228) 12.234 18.622 ( 1.575 -7.362 2.599) 7.964 18.742 ( 2.979 -11.216 -6.688) 13.394 ======================= Grid point 119 (45/141) ======================= q-point: ( 0.40 0.10 0.20) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.817 ( 6.213 8.762 11.272) 15.570 3.160 ( 5.310 -9.785 -6.378) 12.830 3.233 ( 5.147 0.687 -0.239) 5.198 3.275 ( 3.958 -2.167 -8.865) 9.947 3.424 ( 17.185 -3.409 2.319) 17.672 3.796 ( 1.453 -2.917 -3.407) 4.715 3.862 ( 1.127 4.113 -2.312) 4.851 3.896 ( -3.242 0.949 1.135) 3.563 3.958 ( 0.774 0.848 2.999) 3.211 4.242 ( -5.937 -0.046 -1.178) 6.052 4.480 ( -0.368 -4.014 -0.229) 4.037 4.543 ( -7.888 -0.820 3.281) 8.582 4.571 ( -1.709 1.227 -3.627) 4.193 4.825 ( -7.130 -2.577 2.363) 7.941 5.228 ( 6.560 1.938 -2.913) 7.434 5.326 ( 7.935 -4.400 1.988) 9.288 5.410 ( -0.556 -2.698 5.265) 5.942 5.534 ( 2.557 -0.106 1.304) 2.872 5.784 ( 7.259 -7.150 1.123) 10.251 5.961 ( -5.496 -6.696 -0.171) 8.665 6.061 ( -12.341 -9.438 0.203) 15.537 6.169 ( -3.001 -3.203 -5.842) 7.307 6.390 ( -3.969 6.644 1.017) 7.806 6.489 ( -3.207 -0.651 -1.053) 3.437 6.563 ( 4.065 3.660 4.406) 7.024 6.736 ( -0.195 -0.144 -0.315) 0.397 6.950 ( 12.615 7.731 -9.090) 17.365 7.098 ( 2.055 -2.338 -0.395) 3.138 7.252 ( 3.335 5.007 3.608) 7.015 7.600 ( 4.253 -1.479 8.799) 9.884 7.748 ( -0.981 10.700 -0.930) 10.785 7.995 ( -2.952 9.190 -2.267) 9.916 8.025 ( 2.171 -0.536 -1.205) 2.540 8.366 ( -7.705 11.908 1.629) 14.277 8.702 ( -1.165 -2.789 -2.139) 3.703 8.723 ( 1.079 -1.297 -1.873) 2.521 8.793 ( 1.182 3.201 -0.128) 3.414 9.071 ( -1.111 4.241 -2.077) 4.851 9.140 ( -2.721 -0.817 -3.294) 4.350 9.173 ( 0.394 -5.185 2.052) 5.590 9.236 ( -0.377 1.906 -1.153) 2.260 9.425 ( 2.111 -2.301 6.082) 6.836 9.571 ( -3.377 0.843 1.010) 3.624 9.900 ( 0.695 -0.890 0.756) 1.358 10.194 ( 2.364 -7.040 2.714) 7.907 10.204 ( 4.952 -7.716 -3.754) 9.907 10.878 ( -11.112 -14.802 -2.518) 18.679 10.972 ( -18.065 -11.915 1.946) 21.728 11.448 ( -1.658 0.014 1.565) 2.280 11.618 ( 0.481 -2.272 0.331) 2.346 11.868 ( -0.987 2.368 2.873) 3.851 11.984 ( -3.881 3.993 1.069) 5.670 12.273 ( 2.940 -6.710 -2.239) 7.660 12.434 ( 6.877 2.589 0.104) 7.348 12.493 ( -12.486 9.405 7.250) 17.231 12.665 ( -12.069 4.819 -2.361) 13.208 12.933 ( 2.734 3.755 -0.387) 4.661 13.168 ( 4.607 5.437 -0.482) 7.142 13.479 ( 7.333 1.768 -8.824) 11.609 13.605 ( -4.760 -3.864 6.771) 9.134 13.805 ( 8.119 6.425 -10.594) 14.813 14.111 ( 7.203 1.845 -12.255) 14.334 14.346 ( 3.337 3.075 10.647) 11.574 14.795 ( 1.911 -1.387 5.603) 6.080 15.405 ( 9.488 -8.420 1.687) 12.797 15.728 ( 14.889 -6.500 -0.057) 16.246 16.079 ( -19.747 3.588 -1.939) 20.164 16.143 ( -11.084 6.341 4.398) 13.506 18.020 ( 1.412 8.897 4.194) 9.937 18.171 ( 4.790 4.501 -5.865) 8.809 18.726 ( 0.558 -5.632 1.942) 5.983 18.869 ( 1.126 -9.271 -3.625) 10.017 ======================= Grid point 120 (46/141) ======================= q-point: (-0.50 0.10 0.20) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.700 ( -6.401 16.695 7.772) 19.496 3.137 ( -7.538 -0.963 -2.964) 8.157 3.292 ( 2.090 -0.845 -8.432) 8.728 3.356 ( -6.547 2.651 4.522) 8.387 3.461 ( -3.680 7.287 -1.397) 8.282 3.786 ( -1.485 2.311 -4.002) 4.854 3.819 ( 1.439 6.838 1.928) 7.249 3.924 ( 3.002 -2.550 1.323) 4.155 4.043 ( 9.341 -1.409 0.228) 9.449 4.173 ( -2.421 -2.695 -1.240) 3.829 4.485 ( -1.219 -0.696 -0.827) 1.629 4.557 ( 3.755 -5.735 1.135) 6.949 4.645 ( 5.107 -6.886 -2.257) 8.865 4.736 ( -6.391 -5.251 2.388) 8.609 5.224 ( -2.604 7.323 -3.460) 8.507 5.314 ( -7.066 2.731 2.278) 7.911 5.434 ( -9.393 2.662 -1.366) 9.858 5.531 ( 6.894 -2.495 6.714) 9.941 5.821 ( -9.059 4.387 -0.591) 10.083 6.004 ( 1.094 -12.850 1.333) 12.965 6.082 ( -1.738 0.489 -6.190) 6.447 6.121 ( 0.189 -15.660 2.125) 15.805 6.354 ( 4.433 0.057 4.124) 6.055 6.455 ( -3.299 -2.453 -2.291) 4.706 6.604 ( -1.118 -1.732 4.999) 5.408 6.812 ( 8.753 3.463 1.905) 9.604 6.939 ( 1.503 11.217 -8.644) 14.241 7.140 ( 0.984 1.221 -1.481) 2.157 7.260 ( 2.082 5.077 1.222) 5.622 7.397 ( -8.011 14.045 -1.899) 16.280 7.793 ( 5.729 -1.697 3.446) 6.898 7.974 ( 0.110 6.980 0.236) 6.984 8.164 ( 12.792 -3.412 2.271) 13.432 8.333 ( 12.790 -0.920 0.115) 12.824 8.697 ( -2.273 -3.534 -4.450) 6.121 8.745 ( 1.116 0.420 0.034) 1.193 8.817 ( 3.466 1.695 1.083) 4.008 8.986 ( -3.042 2.034 -2.070) 4.205 9.096 ( -1.457 -1.624 -3.753) 4.341 9.208 ( 0.802 -1.581 0.239) 1.789 9.316 ( 7.104 -0.924 -0.989) 7.231 9.446 ( -4.713 -1.139 6.565) 8.161 9.558 ( 3.413 0.552 0.410) 3.482 9.906 ( -3.701 -2.447 3.944) 5.936 10.196 ( -4.623 1.397 1.994) 5.225 10.280 ( -1.807 -0.521 -6.011) 6.298 10.952 ( -2.965 -23.940 3.557) 24.384 11.026 ( 5.083 -22.403 -3.202) 23.194 11.434 ( -1.450 -1.217 3.084) 3.618 11.621 ( -1.523 -0.134 -1.647) 2.248 11.859 ( -0.199 -0.860 5.081) 5.157 11.975 ( 3.928 -0.258 -0.475) 3.965 12.158 ( -8.965 9.970 5.048) 14.327 12.341 ( -11.265 9.971 -3.073) 15.355 12.413 ( 2.653 -7.320 -1.152) 7.871 12.608 ( 1.744 -10.174 2.024) 10.519 12.916 ( 0.372 4.371 -1.103) 4.523 13.193 ( 4.653 5.650 0.088) 7.320 13.524 ( 3.266 2.543 -8.715) 9.648 13.562 ( -4.849 -0.599 4.490) 6.635 13.787 ( 2.471 8.558 -9.385) 12.939 14.070 ( -3.531 4.946 -2.949) 6.755 14.407 ( 5.082 6.567 4.097) 9.259 14.797 ( -1.791 3.698 1.473) 4.365 15.466 ( -9.493 1.659 3.133) 10.133 15.622 ( -19.265 4.539 -0.549) 19.800 16.117 ( 16.153 -9.049 4.972) 19.171 16.194 ( 12.361 -8.414 -1.587) 15.036 17.899 ( -4.051 10.124 2.899) 11.283 18.242 ( 7.950 2.550 -3.505) 9.055 18.746 ( -2.260 -0.640 0.226) 2.360 18.943 ( -1.392 -6.976 -2.294) 7.474 ======================= Grid point 121 (47/141) ======================= q-point: (-0.40 0.10 0.20) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.345 ( -14.291 20.402 11.487) 27.430 2.873 ( -18.714 12.524 1.371) 22.559 2.970 ( -15.890 9.578 -1.444) 18.609 3.285 ( 0.613 4.422 -4.302) 6.200 3.434 ( 1.766 0.410 -5.298) 5.599 3.701 ( -3.314 2.666 -3.238) 5.346 3.753 ( -0.203 9.514 0.238) 9.520 4.012 ( 1.940 1.638 1.057) 2.750 4.157 ( -0.917 -6.557 4.264) 7.875 4.238 ( 5.355 -1.467 -0.626) 5.588 4.437 ( -4.105 -0.349 -1.491) 4.381 4.560 ( -16.220 11.227 -1.173) 19.761 4.662 ( -1.971 3.231 -4.355) 5.770 4.820 ( -1.102 -2.585 -1.145) 3.034 4.975 ( -6.815 3.132 4.193) 8.592 5.102 ( -7.108 5.065 -0.686) 8.755 5.224 ( -2.661 7.102 2.410) 7.958 5.589 ( -8.808 4.294 0.690) 9.823 5.678 ( 5.001 1.199 2.842) 5.876 6.062 ( -5.208 -4.788 -2.634) 7.549 6.185 ( 5.932 -6.944 -2.107) 9.373 6.361 ( 12.522 -11.815 1.460) 17.278 6.422 ( 2.381 -2.407 1.372) 3.653 6.520 ( 5.039 -6.509 -1.115) 8.307 6.684 ( 4.281 -12.250 6.029) 14.309 6.909 ( 7.314 1.244 -4.968) 8.928 6.930 ( 3.749 -2.567 2.284) 5.085 7.121 ( 1.937 3.740 -8.198) 9.217 7.200 ( -3.088 3.367 2.479) 5.198 7.238 ( 1.034 4.631 0.369) 4.759 7.835 ( 1.652 4.435 2.228) 5.231 7.955 ( 0.165 -2.164 0.528) 2.234 8.505 ( 13.565 -8.066 3.788) 16.230 8.627 ( 13.656 -1.414 -2.160) 13.898 8.685 ( 0.817 -2.624 -1.799) 3.285 8.755 ( -0.189 -0.889 -0.523) 1.049 8.838 ( -2.194 -3.168 -0.687) 3.915 8.958 ( 2.777 1.368 -1.689) 3.527 9.108 ( 3.042 0.919 -2.889) 4.295 9.240 ( 2.441 2.839 2.046) 4.267 9.345 ( -5.125 0.720 0.006) 5.175 9.456 ( 5.632 1.641 4.229) 7.231 9.656 ( 4.719 -5.074 -1.072) 7.012 9.806 ( -13.429 -6.158 2.990) 15.073 10.099 ( -3.614 2.084 0.282) 4.181 10.232 ( 0.511 -0.465 -2.638) 2.727 11.248 ( 4.702 -19.328 1.733) 19.967 11.335 ( 3.983 -13.379 -0.443) 13.966 11.445 ( -0.528 -1.969 3.631) 4.164 11.578 ( -1.280 0.256 -2.630) 2.936 11.870 ( 2.630 2.699 4.407) 5.798 11.993 ( -5.972 0.119 -0.635) 6.007 12.064 ( 7.186 3.042 1.794) 8.007 12.217 ( 5.495 -5.701 -0.397) 7.928 12.506 ( -1.350 -8.544 -0.209) 8.653 12.715 ( -2.350 -8.467 -0.686) 8.814 12.860 ( -0.762 4.006 0.808) 4.157 13.199 ( 1.308 6.742 0.067) 6.868 13.458 ( -5.637 4.692 0.191) 7.337 13.488 ( -1.294 1.872 -8.877) 9.164 13.651 ( -5.004 10.544 -4.566) 12.532 13.918 ( -4.368 8.613 5.122) 10.932 14.403 ( 3.353 9.054 -3.710) 10.343 14.669 ( -7.325 4.569 1.774) 8.813 15.209 ( -11.101 8.049 -1.284) 13.772 15.273 ( -13.774 5.407 3.752) 15.265 16.512 ( 11.806 -10.239 0.732) 15.645 16.601 ( 18.535 -16.819 1.219) 25.059 17.717 ( -4.617 10.760 4.152) 12.423 18.355 ( 7.832 2.074 -2.568) 8.499 18.675 ( -3.943 2.720 -0.530) 4.819 18.944 ( -4.059 -4.801 -4.190) 7.555 ======================= Grid point 122 (48/141) ======================= q-point: (-0.30 0.10 0.20) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( -18.209 20.633 19.810) 33.908 2.320 ( -21.185 24.759 10.634) 34.277 2.578 ( -15.847 9.573 -13.237) 22.760 3.238 ( 2.167 7.055 0.119) 7.381 3.416 ( -3.917 4.960 -9.317) 11.258 3.587 ( -16.073 20.645 -3.376) 26.381 3.610 ( -2.793 9.276 -3.590) 10.331 3.693 ( -13.378 15.680 0.746) 20.625 3.960 ( -10.905 13.196 1.249) 17.165 4.162 ( -21.861 25.514 -0.002) 33.599 4.223 ( -4.159 -3.149 6.149) 8.064 4.347 ( -1.175 2.204 1.698) 3.020 4.462 ( 3.515 -6.463 0.451) 7.371 4.816 ( 2.767 0.549 -5.389) 6.083 4.873 ( -3.697 3.632 -0.546) 5.212 5.150 ( 0.616 -4.685 -7.859) 9.171 5.278 ( 7.930 -2.769 8.482) 11.937 5.462 ( -1.580 -3.372 0.876) 3.825 5.742 ( 3.793 0.570 1.307) 4.052 5.977 ( -7.088 -4.165 -1.869) 8.431 6.353 ( 6.247 -5.087 -2.628) 8.474 6.498 ( 3.149 -1.296 3.145) 4.635 6.676 ( 5.031 -3.080 -5.025) 7.749 6.792 ( 15.057 -10.929 3.938) 19.018 6.925 ( 1.023 -7.633 4.871) 9.112 7.078 ( 5.899 -16.389 -0.383) 17.422 7.111 ( 6.605 -1.185 -3.727) 7.676 7.149 ( 12.270 -12.233 -1.439) 17.386 7.217 ( 3.772 0.823 -1.393) 4.104 7.281 ( 6.616 -7.974 0.758) 10.390 7.838 ( 1.539 1.652 2.253) 3.190 7.979 ( -0.421 -3.027 -0.179) 3.061 8.666 ( -1.912 -6.147 -0.640) 6.469 8.737 ( -1.136 -3.578 0.086) 3.755 8.780 ( 4.676 -1.811 -1.086) 5.131 8.819 ( 0.842 -3.245 3.054) 4.535 8.893 ( 6.508 0.204 -0.685) 6.547 8.996 ( 1.896 -0.753 -1.313) 2.426 9.121 ( -1.520 0.335 -1.166) 1.944 9.211 ( -2.328 4.976 2.597) 6.076 9.296 ( 3.650 3.124 -0.333) 4.816 9.507 ( 0.135 3.751 3.936) 5.439 9.625 ( -10.999 -4.303 0.367) 11.817 9.799 ( 3.642 -7.988 -6.152) 10.720 10.065 ( 0.653 -1.471 2.989) 3.395 10.277 ( 2.715 -1.148 0.168) 2.953 11.384 ( -0.973 2.313 -2.950) 3.873 11.414 ( -0.888 -2.767 4.281) 5.174 11.438 ( 1.282 0.405 3.792) 4.023 11.565 ( -1.169 -0.383 -0.731) 1.431 11.965 ( 3.769 -12.129 -1.256) 12.763 12.128 ( 11.938 -6.975 0.977) 13.861 12.230 ( 7.734 -0.388 3.864) 8.655 12.412 ( 6.369 -6.075 -1.135) 8.875 12.545 ( -1.512 -1.604 0.824) 2.353 12.653 ( -5.253 0.849 -1.868) 5.640 12.841 ( -3.376 -1.457 3.399) 5.007 12.971 ( -14.673 10.049 -0.266) 17.786 13.264 ( -8.145 7.769 -3.169) 11.694 13.367 ( -6.863 12.803 -0.599) 14.539 13.484 ( 3.095 1.045 -12.057) 12.492 13.758 ( -5.954 12.435 6.323) 15.168 14.329 ( 1.138 5.306 -11.071) 12.329 14.529 ( -5.430 0.982 8.514) 10.146 14.959 ( -6.172 9.096 -2.858) 11.358 15.022 ( -8.421 7.649 2.578) 11.665 16.802 ( 8.480 -9.808 2.454) 13.195 17.069 ( 13.056 -16.856 -3.538) 21.612 17.582 ( -0.571 7.726 7.337) 10.670 18.439 ( 4.817 3.112 -1.925) 6.049 18.568 ( -3.440 3.700 -1.313) 5.220 18.876 ( -5.600 -2.807 -9.347) 11.252 ======================= Grid point 123 (49/141) ======================= q-point: (-0.20 0.10 0.20) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( -16.587 19.023 31.346) 40.243 1.689 ( -23.629 29.083 15.776) 40.657 2.165 ( -9.673 13.719 -16.515) 23.548 2.496 ( -28.188 56.152 2.976) 62.900 3.159 ( -14.689 39.901 -9.561) 43.581 3.229 ( 1.363 6.169 -1.478) 6.489 3.464 ( -1.939 7.357 1.948) 7.853 3.578 ( -5.921 5.396 0.203) 8.014 3.610 ( -1.656 3.011 0.179) 3.441 3.722 ( -5.419 5.828 -8.917) 11.952 4.188 ( -1.705 4.492 2.945) 5.635 4.391 ( 1.777 -2.405 4.665) 5.541 4.532 ( -5.660 -0.215 -3.814) 6.828 4.699 ( 0.095 -2.395 4.670) 5.249 4.976 ( 5.426 -3.561 -7.740) 10.101 5.102 ( -1.305 0.457 -9.877) 9.974 5.487 ( 3.148 -8.330 8.461) 12.283 5.579 ( 6.841 -3.590 3.823) 8.620 5.825 ( 3.101 -3.290 -0.360) 4.535 5.914 ( -4.789 -6.161 -0.947) 7.861 6.482 ( 4.107 -3.554 -2.879) 6.148 6.562 ( 2.452 -0.029 2.577) 3.558 6.711 ( 1.440 1.604 -5.173) 5.604 6.942 ( -5.262 -3.801 7.135) 9.645 6.990 ( 2.685 -3.982 -1.195) 4.949 7.127 ( 1.895 5.029 -4.109) 6.765 7.480 ( 14.067 -16.897 2.021) 22.079 7.502 ( 7.929 -23.488 0.011) 24.791 7.577 ( 14.148 -18.120 -0.408) 22.993 7.582 ( 10.944 -16.833 -1.212) 20.115 7.869 ( 2.254 -0.379 2.430) 3.336 8.017 ( 0.885 -4.444 0.404) 4.549 8.681 ( -1.788 -0.999 0.760) 2.184 8.746 ( -0.085 -2.886 -1.564) 3.284 8.821 ( -7.528 -8.319 5.354) 12.432 8.836 ( 0.573 -0.668 0.634) 1.085 8.905 ( -2.162 3.198 -2.914) 4.836 9.030 ( -0.306 1.783 1.436) 2.310 9.041 ( -3.307 2.345 -0.402) 4.074 9.147 ( -1.232 1.437 1.796) 2.610 9.276 ( -10.230 -4.640 -0.428) 11.241 9.450 ( 5.488 5.849 0.755) 8.056 9.556 ( 2.159 9.316 2.270) 9.829 9.878 ( 2.844 -1.774 -9.508) 10.081 10.172 ( 3.169 -5.925 4.108) 7.876 10.294 ( -2.649 2.807 2.977) 4.875 11.285 ( -1.327 12.277 2.172) 12.538 11.437 ( -1.942 -2.358 3.166) 4.399 11.501 ( 4.242 -0.165 1.475) 4.494 11.559 ( 0.482 -1.254 -1.200) 1.802 11.966 ( -13.074 21.673 6.447) 26.119 12.199 ( -0.234 -8.557 1.188) 8.642 12.383 ( 0.774 -11.891 0.177) 11.918 12.465 ( -0.216 5.499 -2.677) 6.120 12.534 ( 8.104 -2.189 -0.451) 8.407 12.651 ( -1.843 -0.898 -3.088) 3.706 12.734 ( 2.672 -1.909 2.572) 4.171 12.936 ( 8.754 2.593 -0.994) 9.184 13.006 ( -10.535 6.790 -3.418) 12.992 13.088 ( -6.934 11.091 -6.158) 14.458 13.431 ( -8.708 10.764 -11.073) 17.729 13.498 ( -3.545 9.000 -8.637) 12.968 14.326 ( 2.787 -1.787 -4.330) 5.451 14.498 ( -0.787 -0.082 6.212) 6.262 14.759 ( -5.879 8.560 -2.173) 10.610 14.840 ( -2.586 8.781 -1.039) 9.212 17.025 ( 4.543 -8.676 3.806) 10.507 17.324 ( 4.725 -4.799 -6.490) 9.353 17.625 ( 3.257 -5.146 8.563) 10.508 18.439 ( -0.414 3.468 0.003) 3.492 18.489 ( 0.238 4.130 -3.912) 5.693 18.723 ( -7.334 3.148 -19.772) 21.322 ======================= Grid point 124 (50/141) ======================= q-point: (-0.10 0.10 0.20) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( -20.358 34.007 13.600) 41.903 1.151 ( -5.887 17.533 40.781) 44.779 1.665 ( 8.307 61.624 18.374) 64.839 1.993 ( 12.830 13.564 -13.252) 22.895 2.423 ( -9.168 40.247 -12.941) 43.259 3.200 ( 0.829 8.062 5.059) 9.554 3.353 ( -1.587 8.214 -0.415) 8.376 3.524 ( 3.171 1.467 0.408) 3.518 3.581 ( 1.364 2.602 -1.704) 3.396 3.641 ( 1.476 -0.927 -19.389) 19.467 4.097 ( -2.216 5.984 2.481) 6.846 4.416 ( -1.507 1.679 -3.073) 3.812 4.479 ( 0.994 -4.715 7.384) 8.817 4.778 ( -1.409 -6.263 3.542) 7.332 4.983 ( -1.598 0.858 -10.079) 10.241 5.115 ( 1.786 -3.629 -6.666) 7.797 5.588 ( -2.636 -6.289 5.884) 9.007 5.721 ( 2.368 -1.649 7.401) 7.943 5.888 ( -0.756 -1.914 0.504) 2.119 5.944 ( 0.240 -9.921 -2.417) 10.214 6.544 ( 0.831 -0.155 -0.013) 0.846 6.618 ( 2.875 -2.054 -1.147) 3.714 6.703 ( 1.750 1.634 -3.734) 4.436 6.902 ( -4.533 -2.311 7.061) 8.704 6.979 ( -5.298 1.311 -7.439) 9.226 7.170 ( 5.626 -2.410 0.649) 6.155 7.758 ( -5.361 -16.409 0.744) 17.279 7.841 ( -0.391 -17.526 0.296) 17.533 7.866 ( 4.259 -18.893 2.663) 19.549 7.924 ( 0.825 -16.687 -0.292) 16.710 8.002 ( 1.852 -9.330 4.018) 10.326 8.095 ( -1.447 -7.969 2.361) 8.436 8.648 ( 1.559 3.896 2.202) 4.739 8.726 ( -2.635 -5.253 0.927) 5.950 8.790 ( -1.913 3.645 0.008) 4.116 8.812 ( 0.824 2.147 -0.697) 2.403 8.912 ( 2.488 -3.919 -0.046) 4.642 8.930 ( 0.226 3.659 2.222) 4.286 9.011 ( 0.423 1.736 -0.563) 1.873 9.088 ( -2.215 -1.681 -2.300) 3.609 9.280 ( 3.614 -6.312 7.388) 10.367 9.456 ( -2.380 10.635 0.352) 10.904 9.492 ( 2.206 9.623 -1.151) 9.939 9.860 ( 2.216 22.703 -1.946) 22.893 9.989 ( -6.752 9.914 -2.247) 12.204 10.342 ( 1.877 -6.216 1.894) 6.764 11.085 ( 1.048 16.108 3.770) 16.576 11.443 ( -1.796 -5.704 3.906) 7.143 11.574 ( -2.254 -0.160 -1.363) 2.639 11.579 ( -0.789 -2.174 -0.098) 2.315 11.714 ( 0.733 7.969 -1.893) 8.224 12.258 ( 1.131 0.576 0.763) 1.481 12.393 ( 4.587 3.073 -1.362) 5.687 12.500 ( -5.287 2.527 -8.983) 10.725 12.543 ( 3.567 5.624 -7.955) 10.375 12.650 ( -0.163 3.123 -4.490) 5.472 12.764 ( -0.743 0.465 -1.781) 1.985 12.808 ( 1.852 3.386 -11.487) 12.118 12.963 ( -4.479 4.906 -0.143) 6.644 13.044 ( -0.969 18.491 -16.748) 24.967 13.095 ( 4.310 7.496 -3.470) 9.317 13.171 ( 1.913 23.010 -14.209) 27.111 14.401 ( 2.235 -3.670 0.119) 4.299 14.518 ( 0.967 -0.364 0.372) 1.098 14.582 ( -4.343 4.818 0.378) 6.497 14.726 ( -0.546 7.807 -0.881) 7.876 17.151 ( -0.681 -5.955 3.538) 6.960 17.380 ( 2.267 0.256 -3.300) 4.012 17.741 ( -2.018 -7.772 3.934) 8.941 18.348 ( -0.413 14.422 -19.704) 24.421 18.430 ( 1.472 5.213 -5.645) 7.823 18.491 ( -0.176 6.751 -5.449) 8.677 ======================= Grid point 127 (51/141) ======================= q-point: ( 0.20 0.20 0.20) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.558 ( 26.483 -0.000 15.771) 30.824 2.704 ( 18.004 -0.000 -8.780) 20.031 2.872 ( 25.212 -0.000 10.720) 27.397 3.188 ( 2.886 -0.000 -10.034) 10.441 3.306 ( 1.741 -0.000 -6.741) 6.962 3.610 ( 7.791 -0.000 -4.891) 9.199 3.822 ( 2.532 -0.000 -6.197) 6.695 3.902 ( 5.489 -0.000 4.489) 7.091 4.097 ( -5.683 0.000 -4.376) 7.172 4.324 ( 9.586 -0.000 0.444) 9.597 4.360 ( -3.750 0.000 -5.888) 6.981 4.543 ( 1.549 -0.000 9.974) 10.093 4.684 ( 15.609 -0.000 11.789) 19.561 4.818 ( 4.906 -0.000 -3.582) 6.075 4.986 ( 8.137 -0.000 2.448) 8.498 5.059 ( -0.406 0.000 0.171) 0.440 5.294 ( 4.567 -0.000 -2.412) 5.165 5.336 ( 7.311 -0.000 -5.485) 9.140 5.719 ( -1.433 0.000 8.616) 8.735 6.018 ( -0.376 0.000 -5.190) 5.203 6.205 ( -17.839 0.000 -2.215) 17.976 6.268 ( -19.969 0.000 -2.141) 20.084 6.477 ( -3.888 0.000 -1.744) 4.261 6.681 ( -5.236 0.000 1.539) 5.457 6.727 ( -5.645 0.000 -6.626) 8.705 6.753 ( -11.453 0.000 6.655) 13.246 6.876 ( 5.778 -0.000 -3.867) 6.952 7.042 ( -1.987 0.000 -3.053) 3.642 7.296 ( 1.617 -0.000 6.215) 6.422 7.400 ( 4.882 -0.000 9.171) 10.390 7.864 ( 2.560 -0.000 1.712) 3.080 7.920 ( -3.260 0.000 0.014) 3.260 8.564 ( -4.409 0.000 -3.404) 5.570 8.586 ( -0.753 0.000 -7.067) 7.107 8.741 ( -1.851 0.000 2.072) 2.778 8.742 ( -3.494 0.000 -2.848) 4.508 8.824 ( -2.408 0.000 1.950) 3.099 9.077 ( -7.003 0.000 1.049) 7.081 9.145 ( 5.964 -0.000 6.925) 9.139 9.212 ( 4.481 -0.000 -4.935) 6.665 9.298 ( -5.089 0.000 2.125) 5.515 9.461 ( -6.527 0.000 -2.358) 6.940 9.617 ( 0.168 -0.000 -0.981) 0.995 9.741 ( -0.717 0.000 2.253) 2.364 9.960 ( -3.656 0.000 -4.109) 5.500 10.061 ( -2.309 0.000 3.544) 4.230 11.036 ( -14.862 0.000 0.310) 14.866 11.045 ( -15.545 0.000 -0.770) 15.564 11.526 ( 2.208 -0.000 -0.658) 2.304 11.526 ( -2.543 0.000 1.157) 2.794 12.031 ( 0.570 -0.000 -1.658) 1.753 12.072 ( 0.995 -0.000 2.448) 2.642 12.186 ( -10.684 0.000 1.854) 10.844 12.359 ( -14.175 0.000 2.677) 14.426 12.910 ( 7.851 -0.000 0.263) 7.856 12.946 ( -3.814 0.000 0.339) 3.829 13.049 ( -6.076 0.000 -0.021) 6.076 13.132 ( 4.142 -0.000 1.403) 4.373 13.368 ( 16.279 -0.000 -14.531) 21.821 13.528 ( -2.248 0.000 9.484) 9.747 13.683 ( 18.786 -0.000 -8.070) 20.446 13.885 ( 18.893 -0.000 -9.455) 21.127 14.363 ( 0.396 -0.000 7.035) 7.046 14.598 ( 4.305 -0.000 15.129) 15.729 15.138 ( 10.232 -0.000 0.362) 10.238 15.284 ( 17.510 -0.000 -7.425) 19.020 16.522 ( -19.618 0.000 1.096) 19.649 16.570 ( -21.290 0.000 1.772) 21.364 18.078 ( 11.626 -0.000 11.947) 16.670 18.349 ( 3.567 -0.000 -17.930) 18.281 18.520 ( -0.643 0.000 1.146) 1.314 18.548 ( 2.139 -0.000 -1.356) 2.533 ======================= Grid point 128 (52/141) ======================= q-point: ( 0.30 0.20 0.20) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.967 ( 11.228 0.331 2.408) 11.488 3.014 ( 18.494 1.346 4.076) 18.986 3.206 ( 4.305 -1.622 -10.649) 11.600 3.302 ( 8.183 0.316 -0.899) 8.239 3.345 ( 12.585 -1.748 8.022) 15.026 3.727 ( 4.692 -2.520 -7.577) 9.261 3.850 ( 2.369 -1.562 -5.848) 6.500 3.930 ( -2.438 0.006 3.224) 4.042 4.018 ( 1.811 3.392 1.155) 4.015 4.244 ( -6.123 0.101 -2.953) 6.798 4.390 ( -0.962 -2.916 0.876) 3.193 4.497 ( -9.570 -2.331 6.542) 11.825 4.658 ( -7.971 5.419 -2.900) 10.066 4.763 ( -9.062 -3.766 1.382) 9.910 5.185 ( 9.274 -2.755 1.876) 9.854 5.213 ( 6.503 -3.985 3.888) 8.561 5.437 ( 8.314 2.006 -4.079) 9.475 5.513 ( 7.171 -1.268 -1.416) 7.418 5.710 ( -1.105 -0.389 7.073) 7.170 5.853 ( -13.667 -2.766 0.071) 13.944 5.954 ( -14.048 -2.059 -2.452) 14.408 6.095 ( 2.415 -2.654 -3.091) 4.736 6.422 ( -2.074 -0.556 -0.693) 2.256 6.573 ( -6.077 4.381 -1.485) 7.638 6.629 ( -0.151 2.375 -0.972) 2.571 6.727 ( 4.000 -0.773 4.344) 5.955 7.013 ( -0.290 -1.477 -2.712) 3.102 7.067 ( 15.566 0.941 -9.323) 18.169 7.353 ( 4.402 3.510 5.146) 7.627 7.546 ( 5.630 -2.096 9.916) 11.594 7.885 ( 3.039 2.419 2.984) 4.899 7.990 ( 9.286 -0.832 0.507) 9.337 8.322 ( -10.128 16.531 -7.591) 20.820 8.580 ( -4.461 -6.010 -4.732) 8.855 8.633 ( -3.016 9.652 1.851) 10.280 8.716 ( 1.486 -0.197 -2.486) 2.903 8.842 ( 1.766 -1.880 2.412) 3.531 9.012 ( -3.599 -6.302 1.878) 7.497 9.129 ( -8.652 1.708 1.388) 8.927 9.217 ( -1.034 7.484 -2.744) 8.038 9.273 ( -0.317 0.538 0.746) 0.973 9.362 ( 0.605 -5.416 1.087) 5.557 9.620 ( 3.224 6.304 1.926) 7.338 9.848 ( 3.739 -7.659 -0.876) 8.568 9.966 ( 2.995 -8.174 -1.005) 8.763 10.070 ( 0.898 -4.100 2.102) 4.695 10.709 ( -18.632 -1.358 -0.723) 18.695 10.772 ( -20.624 -6.745 0.631) 21.708 11.465 ( -2.905 1.435 1.185) 3.450 11.566 ( 0.942 -2.304 -1.269) 2.793 11.971 ( -3.841 6.235 2.240) 7.658 12.035 ( -3.481 2.408 -0.205) 4.238 12.117 ( -5.295 -6.012 -0.620) 8.036 12.218 ( -4.796 -11.146 3.790) 12.712 12.816 ( -6.198 6.605 -1.217) 9.139 12.846 ( -6.297 12.013 0.701) 13.581 13.012 ( 4.367 2.881 0.031) 5.232 13.208 ( 1.082 -2.944 0.904) 3.264 13.492 ( 3.040 1.913 -4.738) 5.946 13.557 ( 2.474 -2.529 2.533) 4.351 13.913 ( 11.696 3.432 -12.250) 17.281 14.148 ( 13.371 1.594 -19.248) 23.491 14.414 ( 3.917 2.402 17.817) 18.400 14.744 ( 4.376 -2.930 13.297) 14.302 15.295 ( 6.100 -1.707 1.618) 6.538 15.595 ( 16.548 -4.744 -5.520) 18.078 16.135 ( -21.887 1.654 -3.273) 22.192 16.246 ( -13.773 2.710 6.573) 15.499 18.237 ( 6.890 10.579 5.748) 13.872 18.318 ( 4.501 8.585 -8.184) 12.686 18.561 ( 0.533 -9.004 1.884) 9.215 18.642 ( 0.856 -11.011 -3.393) 11.554 ======================= Grid point 129 (53/141) ======================= q-point: (-0.60 0.20 0.20) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.037 ( 1.082 10.847 6.204) 12.542 3.140 ( -0.681 5.460 -3.619) 6.586 3.264 ( 3.257 -2.409 -7.426) 8.459 3.359 ( 3.988 1.014 3.814) 5.611 3.584 ( -0.550 2.420 3.202) 4.051 3.777 ( 2.920 -1.804 -7.119) 7.903 3.896 ( 2.070 -1.349 -1.116) 2.711 3.992 ( 0.624 7.387 2.231) 7.741 4.001 ( 9.185 -1.720 1.048) 9.404 4.136 ( -4.618 -0.709 -0.188) 4.676 4.418 ( -1.331 -6.202 1.828) 6.601 4.428 ( 0.431 -5.405 0.121) 5.423 4.532 ( -2.869 -2.057 1.977) 4.046 4.649 ( -7.235 -3.793 -1.582) 8.320 5.291 ( 2.468 -0.813 -1.098) 2.821 5.348 ( -2.015 -2.254 -0.373) 3.046 5.442 ( 3.175 0.457 -4.440) 5.477 5.494 ( -7.350 1.415 4.053) 8.512 5.732 ( -3.387 -10.202 2.743) 11.094 5.812 ( -3.663 -4.329 0.431) 5.687 5.844 ( 0.352 -7.625 0.339) 7.641 6.135 ( -0.509 1.467 -1.793) 2.372 6.405 ( -0.325 0.359 0.590) 0.763 6.435 ( -2.157 4.184 1.184) 4.854 6.600 ( -0.861 0.794 0.008) 1.171 6.870 ( 8.805 1.867 2.987) 9.484 7.016 ( -2.074 -3.194 0.223) 3.815 7.216 ( 5.486 5.135 -13.336) 15.308 7.406 ( 4.725 7.494 3.388) 9.485 7.665 ( -0.024 1.606 9.431) 9.567 7.866 ( -4.082 18.402 -4.557) 19.392 8.056 ( 8.587 -2.639 1.465) 9.102 8.221 ( 13.845 6.698 -1.829) 15.488 8.409 ( -1.638 10.491 3.094) 11.060 8.592 ( -3.842 -7.421 -5.033) 9.755 8.748 ( 0.947 -0.252 -1.892) 2.131 8.879 ( -0.407 3.962 2.526) 4.716 9.003 ( -5.094 -1.739 1.104) 5.495 9.069 ( -3.307 -4.920 -1.168) 6.042 9.073 ( -0.050 -5.392 -1.193) 5.523 9.298 ( 3.116 0.518 -2.961) 4.330 9.433 ( 0.128 -1.257 5.015) 5.171 9.636 ( 5.628 6.954 1.692) 9.105 9.889 ( -3.369 1.232 1.935) 4.075 10.156 ( 2.416 -5.714 0.105) 6.204 10.231 ( 5.562 -6.613 -0.885) 8.686 10.486 ( -13.977 -16.269 1.577) 21.506 10.559 ( -6.298 -18.336 -1.928) 19.483 11.418 ( -2.253 -0.262 2.703) 3.529 11.594 ( 0.106 -1.915 -2.006) 2.775 11.880 ( -1.409 3.042 3.308) 4.710 11.964 ( 0.903 -0.618 0.623) 1.259 12.131 ( -4.786 -8.425 -1.158) 9.758 12.235 ( -9.844 -9.969 2.518) 14.235 12.621 ( -0.649 11.934 -0.914) 11.986 12.637 ( -3.940 11.418 0.092) 12.079 13.021 ( 1.495 5.078 -0.358) 5.306 13.243 ( -0.012 -2.740 0.391) 2.768 13.500 ( 0.849 0.875 -0.280) 1.251 13.612 ( 1.024 0.167 1.064) 1.486 13.968 ( 7.180 8.470 -17.275) 20.536 14.175 ( 1.146 5.568 -9.157) 10.778 14.536 ( 5.204 5.639 16.703) 18.381 14.869 ( 4.547 0.616 0.904) 4.677 15.391 ( -1.583 -5.290 4.724) 7.267 15.700 ( -20.835 2.996 -2.565) 21.205 15.932 ( 13.071 -8.964 -3.420) 16.214 16.115 ( 0.391 0.250 5.857) 5.875 18.155 ( -0.907 14.107 3.817) 14.643 18.335 ( 7.566 6.247 -4.609) 10.840 18.671 ( 0.368 -6.466 -0.458) 6.493 18.746 ( -1.690 -11.530 -1.438) 11.742 ======================= Grid point 130 (54/141) ======================= q-point: (-0.50 0.20 0.20) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.796 ( -9.992 22.027 8.624) 25.679 3.007 ( -6.827 4.632 -4.042) 9.187 3.231 ( -11.420 10.147 7.697) 17.107 3.338 ( 2.696 2.480 -6.414) 7.386 3.489 ( 0.507 3.892 -5.196) 6.511 3.744 ( -3.026 1.744 -4.530) 5.720 3.936 ( 0.571 7.424 1.988) 7.706 3.951 ( 1.351 -3.665 4.364) 5.857 4.108 ( -0.570 -1.223 -0.925) 1.636 4.222 ( 10.328 -0.177 0.025) 10.330 4.412 ( -6.223 -1.704 0.288) 6.458 4.556 ( 4.735 -5.812 -0.605) 7.521 4.631 ( 1.165 -6.856 -0.202) 6.957 4.647 ( 5.773 -9.840 0.132) 11.409 5.148 ( -10.835 10.118 -4.064) 15.372 5.256 ( -5.826 5.656 -1.840) 8.326 5.346 ( -2.817 3.765 0.551) 4.734 5.597 ( 0.579 -4.989 3.084) 5.893 5.737 ( -1.357 1.788 0.800) 2.383 5.889 ( -0.534 -11.796 1.961) 11.970 5.963 ( 2.447 -12.432 -2.169) 12.854 6.105 ( 3.864 -6.020 -0.046) 7.154 6.387 ( -1.947 -0.766 0.093) 2.095 6.434 ( 1.545 -0.872 5.787) 6.052 6.610 ( 2.210 1.913 2.617) 3.923 6.956 ( -3.203 2.275 -5.743) 6.958 6.979 ( 4.439 3.217 3.759) 6.647 7.152 ( -1.101 2.710 -3.906) 4.880 7.343 ( -2.050 9.973 -4.033) 10.951 7.437 ( -3.542 13.395 0.246) 13.857 7.852 ( 1.530 -2.558 0.492) 3.021 8.053 ( -3.637 11.868 -1.139) 12.465 8.355 ( 9.496 -5.826 2.936) 11.521 8.590 ( 2.530 -5.437 -2.367) 6.447 8.635 ( 14.329 -0.758 1.318) 14.410 8.717 ( -3.882 -2.375 -0.974) 4.654 8.809 ( -3.626 0.399 -1.104) 3.812 8.942 ( -1.684 -1.706 1.592) 2.878 9.095 ( -1.094 -2.825 -3.317) 4.492 9.182 ( 2.482 -7.087 -0.240) 7.513 9.385 ( 0.975 -4.270 3.992) 5.926 9.418 ( -0.058 -0.204 -0.510) 0.552 9.670 ( 1.356 5.432 2.324) 6.061 9.739 ( -6.263 2.983 2.044) 7.232 10.128 ( -6.463 0.711 0.643) 6.533 10.202 ( -0.959 -2.049 -2.112) 3.095 10.745 ( 9.690 -24.352 2.266) 26.307 10.914 ( 12.502 -24.534 -2.791) 27.677 11.408 ( -0.986 -1.380 4.453) 4.765 11.587 ( -0.627 0.356 -3.487) 3.561 11.921 ( 5.708 -0.018 3.477) 6.683 12.009 ( -4.803 3.172 4.773) 7.478 12.096 ( -5.357 -7.641 -0.505) 9.345 12.136 ( 1.549 -2.179 -2.511) 3.668 12.493 ( 0.483 7.368 2.423) 7.771 12.593 ( 1.764 -0.327 -3.128) 3.606 12.968 ( -1.147 5.245 -0.237) 5.374 13.272 ( 0.240 -1.030 1.167) 1.575 13.476 ( -2.282 1.388 -7.531) 7.991 13.602 ( -0.569 4.620 9.459) 10.542 13.891 ( 2.553 13.106 -18.091) 22.485 14.081 ( -1.768 7.028 0.295) 7.253 14.559 ( -1.038 5.664 15.236) 16.288 14.826 ( -3.680 8.740 -12.061) 15.343 15.335 ( -9.010 3.546 -2.928) 10.116 15.354 ( -9.860 2.638 7.497) 12.664 16.259 ( 10.875 -14.343 5.255) 18.751 16.295 ( 9.754 -10.686 -1.617) 14.558 17.981 ( -3.070 14.423 5.126) 15.611 18.417 ( 8.375 3.642 -3.949) 9.950 18.684 ( -2.817 -1.801 -1.891) 3.841 18.795 ( -4.480 -9.187 -1.787) 10.377 ======================= Grid point 131 (55/141) ======================= q-point: (-0.40 0.20 0.20) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.353 ( -15.604 23.743 13.334) 31.384 2.757 ( -9.467 15.373 -2.027) 18.167 2.842 ( -13.878 17.820 4.156) 22.965 3.362 ( 4.272 4.584 -6.633) 9.125 3.449 ( 0.822 1.693 -8.560) 8.764 3.659 ( -2.294 1.807 -2.344) 3.745 3.846 ( -1.639 8.828 3.349) 9.583 4.021 ( -9.806 -0.683 2.439) 10.128 4.061 ( 1.242 0.445 1.399) 1.923 4.285 ( -0.868 -0.468 2.744) 2.916 4.407 ( 5.412 0.857 -2.839) 6.171 4.490 ( -10.219 23.216 0.551) 25.371 4.662 ( -2.154 6.736 -4.067) 8.158 4.794 ( 0.764 -0.739 -3.344) 3.509 4.940 ( 0.526 -0.384 3.110) 3.178 5.079 ( -1.748 4.658 -0.274) 4.983 5.247 ( -1.767 2.385 0.937) 3.113 5.483 ( -7.969 3.917 0.193) 8.882 5.755 ( 2.207 0.735 -0.754) 2.445 5.881 ( -7.413 -5.514 0.228) 9.242 6.214 ( 7.115 -10.347 0.213) 12.559 6.411 ( 4.586 -9.362 2.643) 10.755 6.466 ( 11.875 -17.551 0.690) 21.202 6.530 ( 2.312 -8.504 3.004) 9.310 6.651 ( 3.210 -5.940 1.289) 6.873 6.942 ( 2.862 -3.591 1.410) 4.804 7.010 ( 2.569 2.816 -0.795) 3.893 7.144 ( 1.231 -1.494 -5.296) 5.639 7.186 ( -2.042 2.983 -2.099) 4.180 7.329 ( 0.879 7.522 -2.659) 8.026 7.873 ( -1.486 -0.835 0.376) 1.745 7.926 ( -2.515 0.556 -0.940) 2.742 8.493 ( -0.859 -8.512 -0.745) 8.587 8.626 ( -5.025 -7.295 0.692) 8.885 8.713 ( -2.357 -4.775 1.182) 5.454 8.793 ( 3.663 -1.102 -0.730) 3.894 8.912 ( 11.708 0.768 1.254) 11.800 8.958 ( -0.683 -2.816 1.872) 3.450 9.060 ( -4.652 -3.860 -2.361) 6.490 9.243 ( -2.935 -2.956 0.222) 4.172 9.296 ( -11.055 -4.140 3.673) 12.363 9.476 ( -4.817 -5.758 -1.740) 7.706 9.624 ( 8.898 3.557 0.917) 9.627 9.757 ( 6.229 5.381 0.613) 8.254 10.051 ( -0.881 0.292 0.504) 1.056 10.240 ( 2.079 -1.714 -0.742) 2.795 11.153 ( 8.180 -17.447 2.765) 19.467 11.323 ( 10.353 -12.260 -2.505) 16.241 11.441 ( 1.018 -2.134 4.979) 5.512 11.560 ( 0.327 1.348 -3.490) 3.755 11.871 ( -4.289 1.029 0.276) 4.420 11.970 ( 0.208 -1.473 2.213) 2.666 12.191 ( 9.979 -5.871 0.934) 11.615 12.321 ( 7.055 -4.962 0.936) 8.676 12.515 ( 5.015 0.155 2.376) 5.551 12.638 ( 4.617 -0.286 -4.790) 6.659 12.886 ( -2.031 3.727 1.298) 4.439 13.189 ( -9.936 8.934 2.816) 13.655 13.373 ( -2.594 0.264 -7.895) 8.315 13.554 ( 0.519 10.474 6.825) 12.513 13.680 ( -4.600 14.246 -11.767) 19.041 13.978 ( -2.525 9.129 4.915) 10.671 14.475 ( -5.778 6.773 -8.109) 12.043 14.569 ( -8.490 2.992 4.000) 9.850 15.155 ( -2.692 9.767 -3.806) 10.822 15.192 ( -4.962 9.012 6.514) 12.177 16.567 ( 7.195 -12.735 0.966) 14.659 16.659 ( 10.248 -21.696 0.981) 24.014 17.800 ( -2.971 13.008 6.956) 15.048 18.511 ( 6.582 3.276 -3.344) 8.077 18.617 ( -3.872 0.819 -2.090) 4.476 18.770 ( -5.873 -6.759 -5.182) 10.345 ======================= Grid point 132 (56/141) ======================= q-point: (-0.30 0.20 0.20) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( -13.777 23.794 21.137) 34.681 2.283 ( -17.421 28.793 11.041) 35.418 2.505 ( -2.717 17.803 -11.977) 21.629 3.340 ( 1.340 4.410 -9.776) 10.808 3.428 ( 2.519 9.745 -6.715) 12.099 3.610 ( -1.485 2.318 -2.059) 3.438 3.618 ( -12.028 27.483 -2.441) 30.099 3.735 ( -1.035 12.592 2.342) 12.850 3.889 ( -9.665 16.859 5.329) 20.150 4.146 ( -9.940 28.704 1.637) 30.421 4.277 ( 0.982 6.393 6.236) 8.984 4.356 ( -0.870 2.227 2.716) 3.618 4.488 ( 4.928 2.012 -2.874) 6.049 4.813 ( -7.321 10.460 0.580) 12.780 4.885 ( 4.626 -4.413 -6.160) 8.878 5.076 ( -0.751 -4.151 -9.062) 9.995 5.352 ( -1.136 -2.972 5.690) 6.519 5.418 ( 6.577 -11.232 -0.620) 13.031 5.756 ( -4.910 -3.119 1.777) 6.082 5.834 ( -0.195 -1.828 0.646) 1.949 6.381 ( 3.897 -5.953 -1.080) 7.196 6.530 ( 1.907 -4.541 3.565) 6.080 6.651 ( -0.764 -7.504 0.544) 7.563 6.841 ( 1.347 -13.622 0.991) 13.724 6.861 ( 4.451 -11.705 1.807) 12.652 7.056 ( 6.623 -8.107 -1.641) 10.596 7.153 ( 5.227 -13.887 -1.375) 14.902 7.189 ( 6.194 -7.321 -2.885) 10.014 7.262 ( 0.797 -0.802 -1.166) 1.624 7.295 ( 5.748 -8.520 -2.881) 10.674 7.846 ( -1.693 -1.900 -0.434) 2.582 7.923 ( -1.159 -4.810 -0.734) 5.002 8.569 ( 0.481 -7.444 2.138) 7.760 8.626 ( -3.054 -7.611 0.196) 8.203 8.718 ( -2.434 -4.324 1.560) 5.201 8.818 ( -4.098 -3.884 0.483) 5.666 8.960 ( -1.077 3.098 -0.637) 3.341 8.989 ( -6.778 -8.872 6.049) 12.698 9.054 ( 0.517 -0.824 -0.634) 1.162 9.142 ( -6.881 -0.775 -2.663) 7.419 9.192 ( -1.892 1.934 2.507) 3.688 9.500 ( 2.148 -3.799 -3.378) 5.519 9.737 ( 5.468 7.321 2.612) 9.504 9.840 ( 6.816 -1.928 -3.210) 7.777 10.085 ( 3.584 -0.585 1.953) 4.123 10.278 ( -0.727 -2.193 0.040) 2.311 11.336 ( 0.621 -2.786 3.872) 4.811 11.496 ( 1.995 1.672 2.647) 3.713 11.504 ( 6.229 1.445 -0.219) 6.398 11.561 ( 1.309 0.357 -2.573) 2.909 11.910 ( 2.747 -10.212 0.177) 10.577 12.080 ( 1.704 -12.957 0.870) 13.097 12.378 ( -2.621 -0.602 1.743) 3.204 12.441 ( 5.687 -6.319 0.599) 8.522 12.640 ( 2.766 8.059 -2.502) 8.880 12.690 ( 9.070 -0.683 2.584) 9.456 12.799 ( -9.852 19.819 2.601) 22.285 12.957 ( 9.293 -0.768 -0.272) 9.328 13.237 ( -4.717 13.013 -3.887) 14.377 13.325 ( -12.323 12.544 -1.139) 17.621 13.541 ( 3.630 4.560 -11.272) 12.689 13.754 ( -11.230 12.908 3.806) 17.527 14.314 ( -0.431 0.375 -8.974) 8.992 14.509 ( -1.741 0.863 8.716) 8.930 14.960 ( -6.092 10.641 0.706) 12.281 15.060 ( 0.920 12.954 -1.596) 13.085 16.802 ( 3.656 -12.677 2.882) 13.504 17.037 ( 6.683 -21.361 -3.077) 22.592 17.668 ( -2.136 8.210 8.629) 12.101 18.515 ( -2.156 3.374 1.933) 4.446 18.565 ( 2.037 2.840 -5.601) 6.602 18.707 ( -3.930 -3.440 -12.072) 13.153 ======================= Grid point 133 (57/141) ======================= q-point: (-0.20 0.20 0.20) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( -6.213 22.197 29.500) 37.438 1.698 ( -10.337 35.513 7.470) 37.734 2.339 ( 11.555 19.610 -9.753) 24.763 2.970 ( 4.743 58.378 7.616) 59.064 3.174 ( -6.999 19.229 -17.013) 26.612 3.408 ( -6.600 10.172 -1.348) 12.200 3.543 ( 5.975 5.033 -2.546) 8.216 3.637 ( 2.903 7.135 -2.585) 8.125 3.690 ( 3.221 21.339 5.813) 22.350 3.723 ( -0.373 14.491 -1.049) 14.534 4.233 ( -3.557 5.653 1.945) 6.957 4.392 ( -0.397 -2.457 5.059) 5.638 4.516 ( 4.283 5.327 -3.231) 7.561 4.664 ( -2.754 -1.734 3.576) 4.835 4.979 ( 2.061 -2.998 -9.234) 9.925 5.030 ( -2.394 -2.818 -10.497) 11.130 5.405 ( -2.657 -9.500 6.133) 11.616 5.683 ( 1.044 -14.152 -2.979) 14.500 5.702 ( 0.812 -0.924 6.705) 6.817 5.867 ( 0.683 -0.927 1.244) 1.695 6.490 ( 3.083 -4.604 -2.920) 6.263 6.596 ( 0.246 -1.926 3.780) 4.250 6.678 ( -2.041 -4.370 1.028) 4.931 6.886 ( -0.799 -0.362 2.016) 2.198 6.954 ( -1.303 -4.479 -4.126) 6.228 7.171 ( -0.050 1.117 -4.243) 4.388 7.321 ( 0.750 -21.696 -0.338) 21.712 7.431 ( 1.795 -20.801 0.441) 20.883 7.433 ( -0.508 -18.979 0.007) 18.986 7.544 ( -0.466 -18.788 -1.655) 18.867 7.869 ( -0.028 -4.715 0.921) 4.804 7.963 ( -0.454 -5.863 -0.571) 5.908 8.631 ( -0.423 -3.185 4.152) 5.250 8.701 ( 2.078 -1.103 3.506) 4.222 8.745 ( 1.542 -6.503 2.564) 7.158 8.806 ( 0.123 -2.174 0.883) 2.350 8.901 ( 0.060 1.898 -2.747) 3.339 8.956 ( -5.715 -10.458 -0.953) 11.955 9.044 ( -0.474 4.379 -0.148) 4.407 9.078 ( 1.244 2.532 -0.458) 2.858 9.179 ( 1.783 -0.625 4.807) 5.165 9.561 ( 0.354 -2.912 -4.275) 5.184 9.677 ( -2.731 9.972 1.588) 10.460 9.964 ( 4.269 -1.346 -6.370) 7.786 10.180 ( 3.487 -2.105 3.182) 5.169 10.233 ( -6.065 -0.233 2.697) 6.642 11.353 ( -1.283 -1.995 3.928) 4.588 11.450 ( -1.110 9.960 2.033) 10.226 11.543 ( -1.434 -0.231 -1.304) 1.952 11.588 ( 3.108 1.960 0.308) 3.688 12.090 ( 2.741 -11.088 2.333) 11.657 12.125 ( -4.526 25.365 6.875) 26.667 12.239 ( -0.172 -12.647 -0.490) 12.658 12.555 ( 2.001 5.366 -1.356) 5.886 12.587 ( 0.113 1.023 0.661) 1.223 12.605 ( 2.313 -3.308 -1.771) 4.408 12.853 ( -3.151 4.434 -0.749) 5.491 12.952 ( -1.539 11.675 -0.950) 11.814 13.073 ( -0.428 8.103 -4.934) 9.497 13.119 ( 2.691 1.388 -1.006) 3.191 13.382 ( -4.191 13.570 -5.277) 15.151 13.574 ( 6.717 9.903 -13.058) 17.711 14.345 ( 3.004 -1.501 -0.007) 3.358 14.517 ( 1.343 0.649 3.396) 3.709 14.744 ( -5.546 9.967 -1.449) 11.498 14.932 ( 0.151 12.524 -1.856) 12.662 16.968 ( -0.486 -11.409 3.898) 12.067 17.287 ( 1.916 -13.953 -6.364) 15.455 17.613 ( -2.368 0.373 9.944) 10.229 18.454 ( -1.137 3.362 1.172) 3.738 18.545 ( 1.741 4.197 -5.321) 6.997 18.622 ( 0.038 2.647 -18.008) 18.202 ======================= Grid point 134 (58/141) ======================= q-point: (-0.10 0.20 0.20) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( 17.127 27.327 7.069) 33.016 1.491 ( 9.547 20.234 29.263) 36.836 2.461 ( 17.897 15.921 -3.831) 24.258 2.666 ( 22.415 47.389 3.120) 52.516 2.804 ( 15.867 38.188 -5.601) 41.731 3.229 ( -2.837 5.687 -3.749) 7.379 3.594 ( 8.491 18.764 1.053) 20.623 3.601 ( 3.754 2.657 -9.156) 10.246 3.651 ( 6.690 5.372 -5.068) 9.965 3.701 ( 6.295 6.891 2.095) 9.566 4.121 ( -1.113 2.237 2.577) 3.589 4.423 ( 0.367 -1.045 5.131) 5.250 4.563 ( 7.200 5.561 -1.601) 9.237 4.664 ( -4.860 -6.045 3.730) 8.607 4.905 ( -4.049 0.762 -13.048) 13.683 5.050 ( -0.995 -5.642 -5.590) 8.005 5.453 ( -5.034 -8.845 5.139) 11.401 5.643 ( -7.289 -5.910 4.683) 10.488 5.837 ( -2.632 -2.024 0.401) 3.345 5.922 ( 5.561 -3.656 -0.811) 6.705 6.538 ( -0.722 -0.450 0.012) 0.851 6.644 ( 2.037 -3.415 0.144) 3.979 6.694 ( -0.716 -3.743 0.750) 3.884 6.869 ( -6.046 0.921 -6.159) 8.679 6.893 ( 0.805 1.171 1.971) 2.429 7.197 ( 0.533 -3.611 0.044) 3.650 7.422 ( -13.287 -14.251 0.925) 19.506 7.536 ( -10.118 -20.467 0.888) 22.848 7.573 ( -11.647 -16.514 -1.175) 20.243 7.608 ( -11.870 -19.779 0.321) 23.070 7.870 ( -3.275 -2.678 1.503) 4.489 8.022 ( -0.944 -5.928 0.543) 6.027 8.694 ( 1.484 -4.665 1.651) 5.166 8.748 ( 0.545 0.977 1.495) 1.868 8.783 ( 2.891 2.061 2.282) 4.220 8.880 ( 0.245 -3.989 1.443) 4.249 8.915 ( 1.523 0.848 -3.634) 4.030 8.985 ( 1.467 2.755 -0.119) 3.124 9.070 ( 0.173 -1.731 -0.940) 1.978 9.123 ( 9.141 -1.308 2.051) 9.459 9.365 ( 10.016 -5.322 4.494) 12.200 9.437 ( -12.045 10.178 -1.132) 15.810 9.505 ( 0.709 2.739 -0.109) 2.831 9.927 ( -2.390 0.588 -7.375) 7.775 10.143 ( 0.121 5.492 0.604) 5.526 10.260 ( -1.877 -4.671 4.959) 7.066 11.323 ( 0.730 9.685 2.845) 10.120 11.390 ( -0.063 -3.968 2.243) 4.558 11.479 ( -4.409 0.273 0.948) 4.518 11.582 ( -0.273 3.481 -0.463) 3.522 11.938 ( 10.099 22.871 5.443) 25.587 12.222 ( -0.936 -11.563 1.023) 11.646 12.376 ( 1.054 -10.484 -0.761) 10.564 12.540 ( -11.454 5.262 -1.052) 12.648 12.574 ( 0.961 5.820 2.598) 6.446 12.607 ( 3.796 -3.873 -3.957) 6.713 12.680 ( -2.807 -4.309 -0.386) 5.157 12.882 ( -1.357 3.131 -3.920) 5.197 13.012 ( 1.135 5.258 -3.551) 6.445 13.078 ( 10.699 11.170 -5.833) 16.530 13.326 ( 9.909 12.229 -5.987) 16.840 13.598 ( 12.644 12.798 -12.061) 21.659 14.404 ( 0.322 -0.536 3.794) 3.845 14.565 ( 3.009 2.981 -9.191) 10.121 14.595 ( 2.057 4.938 7.015) 8.822 14.817 ( 1.462 9.011 -2.219) 9.395 17.033 ( -5.256 -8.688 3.684) 10.801 17.351 ( -3.872 -6.795 -6.581) 10.221 17.623 ( -2.612 -3.677 10.185) 11.138 18.373 ( -2.150 4.667 -7.665) 9.228 18.525 ( 3.202 4.131 -3.766) 6.443 18.602 ( 7.558 5.622 -13.625) 16.564 ======================= Grid point 138 (59/141) ======================= q-point: ( 0.30 0.30 0.20) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.075 ( 2.872 -0.000 -1.635) 3.304 3.230 ( 3.484 -0.000 -9.869) 10.466 3.342 ( -1.706 0.000 4.926) 5.213 3.372 ( 12.321 -0.000 5.368) 13.439 3.575 ( 8.294 -0.000 7.686) 11.307 3.734 ( 1.270 -0.000 -8.632) 8.725 3.863 ( 1.752 -0.000 -5.198) 5.485 3.985 ( 5.141 -0.000 3.938) 6.476 4.093 ( 4.273 -0.000 -0.219) 4.279 4.129 ( -5.509 0.000 -0.480) 5.530 4.348 ( -1.158 0.000 0.566) 1.289 4.349 ( -3.846 0.000 3.146) 4.969 4.531 ( -10.279 0.000 4.770) 11.331 4.595 ( -4.102 0.000 -4.767) 6.289 5.274 ( 2.527 -0.000 2.733) 3.722 5.293 ( 5.627 -0.000 -0.279) 5.634 5.438 ( -6.491 0.000 -9.599) 11.587 5.527 ( -4.577 0.000 -0.513) 4.605 5.658 ( -5.443 0.000 9.923) 11.318 5.726 ( 0.640 -0.000 -0.175) 0.663 5.786 ( -2.707 0.000 -1.283) 2.996 6.144 ( 2.029 -0.000 -0.852) 2.201 6.394 ( -0.843 0.000 0.491) 0.976 6.509 ( -1.709 0.000 -1.400) 2.209 6.618 ( -1.440 0.000 1.284) 1.929 6.888 ( 8.709 -0.000 1.406) 8.822 6.961 ( -2.420 0.000 2.756) 3.668 7.270 ( 6.849 -0.000 -15.987) 17.393 7.499 ( 7.692 -0.000 2.442) 8.070 7.648 ( 2.460 -0.000 10.683) 10.962 8.009 ( 9.992 -0.000 6.071) 11.692 8.272 ( 20.133 -0.000 -1.682) 20.203 8.285 ( -10.111 0.000 -1.167) 10.178 8.318 ( -8.738 0.000 -12.202) 15.008 8.712 ( -1.441 0.000 3.481) 3.767 8.718 ( -2.790 0.000 -1.736) 3.286 8.820 ( -0.212 0.000 1.357) 1.373 8.946 ( -9.288 0.000 2.016) 9.505 8.970 ( 1.015 -0.000 3.937) 4.066 9.108 ( -8.487 0.000 -4.577) 9.642 9.313 ( 1.193 -0.000 -6.729) 6.834 9.400 ( 3.236 -0.000 8.826) 9.401 9.836 ( 6.237 -0.000 4.145) 7.488 9.860 ( 8.471 -0.000 -0.347) 8.478 10.028 ( 9.961 -0.000 -3.334) 10.504 10.062 ( 2.017 -0.000 1.566) 2.554 10.370 ( -18.793 0.000 1.113) 18.826 10.374 ( -15.609 0.000 -0.780) 15.628 11.418 ( -3.209 0.000 2.539) 4.092 11.568 ( 1.409 -0.000 -2.734) 3.075 11.946 ( -5.872 0.000 1.043) 5.964 11.958 ( 0.139 -0.000 3.722) 3.725 12.033 ( -2.877 0.000 -2.101) 3.563 12.083 ( -3.817 0.000 1.365) 4.053 12.759 ( -4.250 0.000 -0.493) 4.278 12.797 ( -6.264 0.000 -0.328) 6.272 13.111 ( 4.215 -0.000 -0.090) 4.216 13.135 ( -4.613 0.000 1.028) 4.726 13.563 ( 1.737 -0.000 -14.739) 14.841 13.565 ( 1.501 -0.000 15.694) 15.766 14.062 ( 7.896 -0.000 -14.046) 16.113 14.262 ( 5.151 -0.000 -20.017) 20.669 14.624 ( 10.219 -0.000 16.635) 19.523 14.809 ( -0.960 0.000 12.786) 12.822 15.357 ( 1.894 -0.000 6.166) 6.451 15.729 ( -21.924 0.000 -7.568) 23.193 15.822 ( 13.534 -0.000 -5.988) 14.799 16.127 ( -4.209 0.000 8.196) 9.213 18.430 ( 1.738 -0.000 0.408) 1.785 18.458 ( 4.502 -0.000 2.750) 5.275 18.470 ( -0.045 0.000 -1.458) 1.459 18.572 ( 1.033 -0.000 -4.493) 4.610 ======================= Grid point 139 (60/141) ======================= q-point: (-0.60 0.30 0.20) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.061 ( -2.532 2.270 0.033) 3.401 3.154 ( -11.132 6.959 5.197) 14.120 3.328 ( 5.530 2.460 -4.979) 7.837 3.472 ( 3.118 8.199 1.124) 8.843 3.585 ( -2.888 6.555 -0.771) 7.204 3.760 ( -1.604 -1.824 -3.110) 3.946 3.887 ( -0.593 -3.666 1.095) 3.872 4.015 ( -2.223 0.424 2.932) 3.704 4.086 ( 0.310 -1.449 -0.078) 1.483 4.212 ( 10.649 -0.390 -1.337) 10.740 4.377 ( -0.580 -1.826 -0.261) 1.934 4.401 ( 2.473 -3.466 1.224) 4.430 4.477 ( 3.889 -5.725 4.637) 8.331 4.545 ( 0.112 -2.066 -2.996) 3.641 5.277 ( -2.732 3.171 -7.409) 8.510 5.322 ( -0.089 0.999 -0.880) 1.334 5.428 ( -1.910 2.158 -1.304) 3.163 5.448 ( 3.912 -5.795 -1.846) 7.232 5.620 ( -1.604 -4.145 8.738) 9.803 5.762 ( -0.736 -6.403 -2.739) 7.003 5.782 ( 0.960 -1.721 2.424) 3.124 6.101 ( -4.044 1.205 -1.972) 4.657 6.383 ( -1.389 -0.001 1.932) 2.379 6.479 ( -2.336 3.569 4.644) 6.305 6.645 ( 5.581 0.977 2.637) 6.249 6.912 ( -2.904 -3.515 -2.888) 5.397 7.032 ( 4.157 1.319 6.188) 7.570 7.245 ( -1.151 3.241 -14.011) 14.427 7.546 ( 0.908 7.816 0.405) 7.879 7.685 ( -3.143 2.389 9.150) 9.965 7.889 ( -8.738 13.554 -8.703) 18.325 8.204 ( 0.565 -6.566 -4.441) 7.947 8.325 ( -2.343 -1.893 -1.287) 3.276 8.456 ( -6.990 5.523 4.113) 9.812 8.644 ( 18.718 0.655 0.977) 18.755 8.681 ( -4.950 -1.672 0.537) 5.253 8.816 ( -8.173 -3.913 -2.455) 9.388 8.900 ( 0.019 -0.973 1.875) 2.113 8.979 ( -1.280 -4.720 1.791) 5.209 9.044 ( -1.060 -4.491 -0.626) 4.657 9.302 ( 0.042 -1.782 -5.991) 6.250 9.410 ( -6.311 -0.654 8.038) 10.240 9.799 ( -2.716 6.502 2.426) 7.453 9.911 ( 1.867 8.810 2.396) 9.319 10.133 ( -4.371 1.236 -0.273) 4.550 10.173 ( 2.273 -0.205 -0.373) 2.312 10.350 ( 16.632 -11.633 -1.264) 20.336 10.434 ( 14.153 -19.973 -1.020) 24.500 11.390 ( -0.852 -0.372 3.579) 3.698 11.590 ( 1.558 -0.040 -2.473) 2.923 11.914 ( 3.011 0.108 1.307) 3.284 11.961 ( -4.641 -3.864 -0.236) 6.044 12.023 ( -5.540 -3.090 1.913) 6.626 12.079 ( 10.129 0.265 0.828) 10.167 12.647 ( -5.668 5.531 1.281) 8.023 12.664 ( -3.559 3.533 -2.529) 5.617 13.043 ( -3.854 1.632 0.696) 4.243 13.203 ( 2.628 -3.285 0.659) 4.258 13.508 ( -2.280 0.894 -10.156) 10.448 13.659 ( 3.437 1.305 15.333) 15.768 14.116 ( 6.647 5.582 -17.879) 19.874 14.216 ( -0.456 6.065 -11.749) 13.230 14.680 ( -4.688 7.555 17.570) 19.691 14.871 ( -3.374 -6.368 -2.333) 7.575 15.361 ( -8.652 1.280 -4.435) 9.807 15.422 ( 0.269 2.768 7.330) 7.840 16.040 ( 8.371 -6.476 -2.172) 10.804 16.134 ( 1.050 -3.906 4.956) 6.397 18.284 ( -3.033 14.193 4.401) 15.166 18.498 ( 5.463 3.857 -3.907) 7.745 18.577 ( -3.055 -11.513 1.192) 11.971 18.617 ( 0.572 -4.127 -4.200) 5.916 ======================= Grid point 140 (61/141) ======================= q-point: (-0.50 0.30 0.20) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.787 ( -15.739 16.350 9.954) 24.781 2.974 ( -2.665 6.873 -2.557) 7.802 3.262 ( -6.705 21.095 7.498) 23.370 3.421 ( 6.392 1.680 -7.357) 9.890 3.498 ( -0.959 2.551 -9.044) 9.446 3.695 ( -3.166 1.320 -2.659) 4.340 3.896 ( -3.709 -4.685 5.777) 8.311 3.963 ( -3.362 1.394 2.854) 4.625 4.122 ( 1.914 1.039 -0.586) 2.256 4.289 ( -4.327 1.596 2.298) 5.153 4.437 ( 10.798 -0.953 -3.864) 11.508 4.567 ( 3.036 -11.529 -0.502) 11.932 4.591 ( 4.775 -3.687 1.305) 6.172 4.708 ( 9.269 -4.970 -0.051) 10.517 5.119 ( -3.888 13.627 -5.912) 15.355 5.247 ( -1.660 6.736 -1.591) 7.118 5.351 ( -2.162 4.349 -1.016) 4.962 5.509 ( -4.223 -3.268 0.128) 5.342 5.703 ( -4.997 -8.158 6.281) 11.445 5.823 ( 3.320 1.404 -2.709) 4.509 5.948 ( 9.859 -11.308 2.096) 15.148 6.103 ( 5.328 -9.321 -0.394) 10.744 6.357 ( -1.502 -0.846 3.031) 3.486 6.433 ( -1.850 -0.898 6.003) 6.345 6.703 ( 0.348 5.974 1.463) 6.160 6.891 ( -1.153 -3.363 -0.798) 3.644 7.070 ( 1.222 2.598 3.111) 4.233 7.133 ( -1.775 2.461 -5.441) 6.230 7.369 ( -5.916 12.724 -6.783) 15.585 7.509 ( -2.785 10.061 -1.592) 10.560 7.789 ( -3.291 -5.244 -0.793) 6.242 8.033 ( -10.593 7.462 -1.467) 13.040 8.258 ( -6.240 -14.683 -4.137) 16.482 8.509 ( -0.269 -3.203 2.725) 4.214 8.613 ( -6.175 -5.056 0.822) 8.023 8.703 ( -6.024 -6.813 -1.493) 9.216 8.855 ( -8.172 -4.946 4.669) 10.632 8.932 ( 7.464 -0.626 2.441) 7.877 9.032 ( 4.171 0.194 -1.096) 4.317 9.085 ( 1.535 -5.712 -2.171) 6.301 9.291 ( -6.994 -0.019 3.111) 7.655 9.333 ( -0.631 -5.756 -3.660) 6.850 9.731 ( 1.203 5.254 4.179) 6.820 9.863 ( 0.443 2.423 2.907) 3.810 10.115 ( 4.000 6.474 0.274) 7.615 10.240 ( 6.453 2.708 -2.001) 7.279 10.805 ( 17.265 -14.615 0.871) 22.637 10.942 ( 16.169 -20.632 -2.096) 26.297 11.419 ( 2.230 -0.220 3.613) 4.251 11.600 ( 1.496 1.824 -1.650) 2.879 11.893 ( -5.143 -0.333 0.237) 5.159 11.962 ( -1.956 -3.595 1.086) 4.234 12.099 ( 12.248 -0.709 1.910) 12.417 12.267 ( 7.688 2.364 1.139) 8.124 12.532 ( -3.073 0.740 1.834) 3.655 12.625 ( 5.223 -2.081 -3.673) 6.716 12.954 ( -3.932 2.949 0.890) 4.995 13.272 ( 0.892 -0.861 3.452) 3.668 13.390 ( -5.122 2.545 -7.872) 9.730 13.743 ( 3.989 6.295 14.248) 16.079 13.984 ( -2.635 14.319 -20.356) 25.027 14.140 ( 0.975 6.228 -3.574) 7.246 14.553 ( -9.623 1.914 12.035) 15.528 14.633 ( -15.594 1.378 -10.006) 18.580 15.307 ( 0.289 4.800 2.018) 5.215 15.419 ( 4.938 11.690 2.757) 12.986 16.242 ( 3.095 -16.059 5.905) 17.388 16.301 ( 5.276 -12.920 -1.832) 14.076 18.090 ( -3.800 14.371 5.734) 15.932 18.553 ( 4.027 -0.572 -8.192) 9.146 18.598 ( -2.996 -3.327 1.488) 4.718 18.629 ( -2.563 -4.439 -2.078) 5.531 ======================= Grid point 141 (62/141) ======================= q-point: (-0.40 0.30 0.20) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.366 ( -12.712 21.208 14.139) 28.483 2.830 ( -0.138 15.423 -3.689) 15.858 2.875 ( -9.461 25.753 4.719) 27.839 3.413 ( -0.473 2.796 -12.205) 12.530 3.506 ( 6.418 2.409 -5.297) 8.663 3.626 ( -2.912 0.613 -2.678) 4.003 3.829 ( -7.212 2.015 5.028) 9.019 3.916 ( -2.194 2.330 2.469) 4.042 4.102 ( 0.477 3.086 2.839) 4.220 4.270 ( 0.017 -2.373 2.316) 3.316 4.549 ( 3.716 7.577 -0.888) 8.486 4.638 ( 4.065 8.499 -0.296) 9.426 4.711 ( 1.082 7.830 -1.513) 8.048 4.791 ( 1.699 -2.055 -4.221) 4.993 5.022 ( 4.657 7.217 1.972) 8.812 5.131 ( -0.897 9.724 -0.213) 9.768 5.210 ( -4.149 2.416 -2.376) 5.357 5.381 ( -7.206 3.167 -2.609) 8.292 5.678 ( -6.040 -4.828 6.962) 10.405 5.830 ( 2.634 1.725 -2.771) 4.195 6.224 ( 4.743 -8.986 2.810) 10.542 6.370 ( 2.534 -12.742 1.569) 13.086 6.426 ( 3.210 -11.611 2.290) 12.262 6.486 ( 0.286 -7.205 4.104) 8.297 6.668 ( 3.712 -5.461 -0.892) 6.663 6.963 ( 3.086 -6.326 -0.747) 7.078 7.073 ( 1.415 2.081 3.193) 4.065 7.123 ( 0.293 -2.386 -0.796) 2.532 7.149 ( -4.275 4.019 -7.309) 9.373 7.388 ( -0.589 6.097 -6.664) 9.052 7.781 ( -3.748 -4.851 -1.815) 6.393 7.847 ( -5.148 -1.324 -1.573) 5.543 8.324 ( -2.953 -16.056 0.642) 16.338 8.530 ( 0.297 -2.133 1.038) 2.390 8.588 ( -4.002 -9.048 0.679) 9.917 8.659 ( -9.229 -9.675 2.137) 13.540 8.779 ( -7.750 -8.298 2.253) 11.576 8.984 ( -1.453 -2.259 -0.913) 2.837 9.081 ( 1.767 4.789 3.414) 6.141 9.183 ( 2.317 1.359 -0.496) 2.732 9.211 ( 1.194 0.452 -0.365) 1.327 9.368 ( -0.199 -6.679 -6.482) 9.309 9.755 ( 0.020 -3.535 6.880) 7.735 9.891 ( 4.895 5.142 0.800) 7.144 10.117 ( 1.423 2.584 1.555) 3.335 10.293 ( 4.060 4.899 -2.668) 6.899 11.203 ( 10.311 -10.374 2.613) 14.858 11.355 ( 8.728 -16.046 -2.546) 18.443 11.483 ( 3.275 -0.460 2.095) 3.914 11.601 ( 1.323 2.671 0.108) 2.983 11.826 ( -1.014 1.706 2.012) 2.827 11.981 ( 2.428 1.221 0.411) 2.748 12.273 ( -1.298 -4.618 -1.842) 5.139 12.329 ( 3.799 -2.839 3.042) 5.635 12.592 ( 7.779 -6.131 1.137) 9.970 12.839 ( 4.772 8.463 -2.669) 10.076 12.885 ( 8.660 -5.189 1.482) 10.204 13.128 ( -9.762 9.217 1.980) 13.571 13.366 ( 2.480 0.385 -2.014) 3.218 13.635 ( -10.072 13.869 -4.146) 17.635 13.746 ( 1.732 14.748 -6.655) 16.273 13.996 ( -9.486 10.606 4.095) 14.807 14.321 ( -4.433 -0.312 -12.782) 13.532 14.522 ( -2.302 0.146 10.110) 10.370 15.187 ( -4.416 11.554 4.858) 13.289 15.367 ( 4.852 16.147 -3.162) 17.154 16.516 ( 3.155 -15.467 1.028) 15.819 16.539 ( 2.769 -24.726 2.034) 24.964 17.900 ( -3.468 13.281 6.916) 15.371 18.543 ( -3.150 -1.802 -2.779) 4.571 18.602 ( -0.222 -0.587 -1.731) 1.841 18.629 ( 1.311 -1.500 -6.902) 7.184 ======================= Grid point 142 (63/141) ======================= q-point: (-0.30 0.30 0.20) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.026 ( -4.547 23.226 18.740) 30.188 2.408 ( -6.418 33.212 3.662) 34.024 2.727 ( 7.789 16.871 -4.460) 19.110 3.345 ( 0.694 3.955 -15.971) 16.468 3.494 ( -6.994 3.442 -3.721) 8.637 3.587 ( 5.637 3.343 -2.956) 7.190 3.722 ( 1.160 8.046 5.069) 9.580 3.836 ( -0.957 6.356 -0.078) 6.428 4.075 ( 1.604 15.060 5.415) 16.085 4.298 ( -1.226 0.950 4.044) 4.331 4.355 ( 2.073 22.460 6.040) 23.350 4.509 ( -0.463 24.310 1.293) 24.349 4.664 ( 5.231 9.593 -0.626) 10.944 4.809 ( -5.262 12.072 -2.921) 13.489 4.885 ( 2.157 -1.431 -3.744) 4.552 4.989 ( -2.503 1.027 -8.736) 9.145 5.263 ( -4.686 -3.658 -0.247) 5.950 5.379 ( 3.849 -14.202 -2.455) 14.918 5.670 ( -0.244 -2.283 7.449) 7.795 5.863 ( 2.232 0.631 0.292) 2.337 6.360 ( 1.575 -8.576 0.718) 8.748 6.474 ( -1.234 -8.955 2.611) 9.409 6.552 ( -1.605 -7.256 4.453) 8.663 6.637 ( -1.239 -19.531 -0.251) 19.572 6.854 ( 2.605 -8.126 0.736) 8.565 7.015 ( -4.211 -7.700 -3.691) 9.520 7.083 ( -0.523 -6.037 -2.428) 6.528 7.171 ( 2.193 -4.270 -1.072) 4.918 7.204 ( 1.054 -11.019 -1.024) 11.117 7.315 ( 0.323 3.725 -4.940) 6.195 7.771 ( 0.159 -4.906 -2.899) 5.700 7.849 ( -0.309 -5.076 -1.344) 5.260 8.502 ( 3.669 -14.371 4.197) 15.414 8.582 ( 2.178 -2.364 3.142) 4.494 8.636 ( -3.052 -9.067 0.825) 9.603 8.663 ( -0.210 -11.978 1.957) 12.138 8.767 ( -0.628 -2.990 1.349) 3.340 8.945 ( -2.895 0.848 -2.373) 3.839 9.055 ( -0.417 -0.913 1.899) 2.147 9.157 ( -1.444 3.712 0.437) 4.007 9.230 ( 1.418 3.900 -0.006) 4.150 9.442 ( 2.095 -7.243 -7.555) 10.673 9.820 ( -2.507 -6.374 4.795) 8.361 9.881 ( 0.534 7.225 2.872) 7.793 10.142 ( 0.023 -4.067 0.296) 4.077 10.267 ( 0.412 5.748 -1.938) 6.080 11.343 ( -1.794 -1.345 3.250) 3.949 11.511 ( 0.296 -2.043 0.002) 2.065 11.564 ( -1.825 -0.713 -0.685) 2.076 11.601 ( 2.781 -2.863 0.206) 3.997 11.865 ( 1.773 -6.132 3.022) 7.062 12.008 ( -0.751 -2.365 -0.276) 2.496 12.314 ( 1.590 -4.718 2.293) 5.481 12.402 ( -1.997 -8.974 -0.489) 9.207 12.755 ( 3.477 7.035 0.231) 7.851 12.818 ( 5.946 7.926 1.492) 10.020 12.874 ( -8.615 2.500 2.710) 9.371 13.077 ( -0.356 -0.890 -3.061) 3.208 13.274 ( -2.797 12.307 -5.463) 13.753 13.359 ( 1.351 16.448 -2.089) 16.635 13.612 ( 0.609 9.568 -3.528) 10.216 13.737 ( -1.513 9.301 -3.811) 10.165 14.336 ( 4.997 0.156 0.946) 5.088 14.540 ( 2.408 1.418 4.020) 4.896 14.976 ( -5.768 12.569 1.721) 13.937 15.241 ( 1.460 17.071 -2.649) 17.337 16.699 ( -0.212 -14.383 2.483) 14.597 16.841 ( -0.192 -26.564 -1.036) 26.584 17.748 ( -1.974 10.678 7.674) 13.297 18.509 ( -0.311 1.225 0.539) 1.374 18.603 ( 1.320 0.745 -1.444) 2.093 18.626 ( 0.768 -0.418 -13.669) 13.697 ======================= Grid point 143 (64/141) ======================= q-point: (-0.20 0.30 0.20) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( 7.679 22.813 18.913) 30.612 2.065 ( 6.886 32.104 3.251) 32.995 2.766 ( 14.505 13.668 0.188) 19.931 3.200 ( -1.471 12.974 -15.637) 20.372 3.323 ( -3.144 6.421 -5.906) 9.273 3.646 ( 4.887 2.412 -0.664) 5.490 3.725 ( 12.344 18.286 3.768) 22.382 3.772 ( 2.601 9.359 -2.182) 9.956 3.928 ( 10.369 27.737 7.549) 30.559 4.166 ( -3.288 11.367 1.906) 11.986 4.244 ( 9.444 27.071 -0.628) 28.678 4.397 ( 0.859 1.168 7.533) 7.671 4.581 ( -4.515 0.202 3.864) 5.946 4.729 ( 6.690 8.673 -4.836) 11.974 4.899 ( -3.476 -1.288 -10.236) 10.887 4.942 ( 0.508 -3.325 -7.713) 8.415 5.256 ( -4.929 -9.030 3.194) 10.772 5.485 ( -3.688 -8.444 0.428) 9.225 5.774 ( 3.516 -3.233 1.803) 5.106 5.898 ( 3.081 0.330 2.524) 3.996 6.470 ( 1.042 -7.413 -1.156) 7.574 6.534 ( -2.895 -7.998 3.056) 9.038 6.594 ( -2.264 -5.285 4.943) 7.583 6.757 ( -4.764 -13.352 -1.801) 14.291 6.907 ( -1.402 -2.861 -2.099) 3.815 7.015 ( -10.163 -15.587 -0.938) 18.631 7.121 ( -4.283 -11.540 -2.559) 12.572 7.236 ( -3.155 -7.736 -0.126) 8.356 7.273 ( -4.562 -10.903 -2.856) 12.159 7.294 ( -1.117 -2.398 -0.608) 2.714 7.837 ( 1.006 -1.554 -1.513) 2.391 7.902 ( 1.103 -5.552 -1.121) 5.771 8.629 ( 0.368 -2.269 4.546) 5.094 8.700 ( 1.242 -7.254 2.236) 7.692 8.734 ( 2.017 -7.504 1.733) 7.962 8.809 ( 4.217 -1.415 1.884) 4.830 8.870 ( 2.604 -5.988 -2.713) 7.071 8.969 ( 9.722 -5.656 0.317) 11.252 9.042 ( -5.007 0.055 1.962) 5.378 9.099 ( 0.978 1.086 -1.867) 2.371 9.257 ( 6.545 -1.833 2.949) 7.409 9.496 ( -0.942 -2.389 -5.089) 5.701 9.683 ( -7.590 9.913 -0.172) 12.487 9.885 ( -4.511 -6.083 1.028) 7.642 10.121 ( -5.845 -0.755 2.179) 6.283 10.241 ( 1.768 0.404 -1.117) 2.130 11.309 ( -2.511 -3.533 3.253) 5.419 11.451 ( -5.819 3.146 -0.126) 6.616 11.502 ( -3.372 0.879 -0.151) 3.488 11.636 ( 0.061 0.791 0.820) 1.141 11.965 ( -3.256 -10.076 1.134) 10.650 12.040 ( -1.021 -10.976 0.017) 11.023 12.385 ( 0.849 -3.705 1.573) 4.114 12.475 ( -2.761 -5.605 2.512) 6.734 12.636 ( -14.431 1.412 0.270) 14.503 12.714 ( 4.046 17.051 -0.131) 17.525 12.788 ( 8.106 11.776 2.872) 14.582 12.903 ( -11.630 -0.095 -2.974) 12.005 13.176 ( 2.272 9.729 -3.035) 10.441 13.310 ( 11.501 11.807 -4.047) 16.972 13.577 ( 8.282 11.520 -7.573) 16.083 13.742 ( 5.301 2.664 -0.256) 5.938 14.428 ( 4.057 2.987 7.070) 8.681 14.612 ( 7.627 2.387 -5.548) 9.729 14.773 ( -1.635 10.689 1.766) 10.957 15.067 ( -0.711 15.360 -1.576) 15.457 16.809 ( -4.309 -12.647 3.147) 13.727 17.035 ( -6.386 -22.422 -3.306) 23.547 17.667 ( 0.368 7.076 9.216) 11.625 18.470 ( -2.260 4.560 -2.918) 5.867 18.598 ( 3.272 2.406 -6.884) 7.993 18.652 ( 5.514 -0.143 -7.711) 9.481 ======================= Grid point 144 (65/141) ======================= q-point: (-0.10 0.30 0.20) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( 16.177 18.503 21.874) 32.902 2.073 ( 24.483 19.922 1.095) 31.583 2.857 ( 8.885 17.907 -2.713) 20.173 3.040 ( 3.647 6.775 -3.937) 8.643 3.258 ( 6.234 4.462 -14.192) 16.130 3.692 ( 4.125 6.987 -2.279) 8.428 3.738 ( 8.896 11.835 2.849) 15.077 3.830 ( 11.500 10.348 0.977) 15.501 3.899 ( 18.538 31.485 1.933) 36.588 4.089 ( 4.574 -1.349 0.852) 4.844 4.254 ( 19.385 23.563 1.164) 30.534 4.442 ( 1.561 -0.524 8.206) 8.369 4.541 ( -3.203 -1.414 3.933) 5.266 4.737 ( -1.478 -0.271 -8.210) 8.346 4.827 ( 5.430 6.739 -7.468) 11.431 4.953 ( -1.906 -4.524 -4.447) 6.624 5.267 ( -5.977 -9.669 3.200) 11.809 5.476 ( -4.245 -3.784 0.891) 5.756 5.772 ( -4.059 0.407 1.664) 4.406 6.005 ( 5.780 -0.832 -0.714) 5.883 6.505 ( -2.265 -2.396 3.796) 5.028 6.559 ( -6.217 -7.904 0.547) 10.071 6.625 ( -1.863 -6.648 0.696) 6.939 6.738 ( -5.116 -3.821 -4.029) 7.550 6.863 ( -6.570 -4.195 -3.164) 8.413 6.931 ( -16.408 -14.076 2.314) 21.742 7.134 ( -6.317 -9.940 -1.814) 11.917 7.228 ( -7.252 -8.354 0.767) 11.089 7.252 ( -8.068 -10.593 -1.265) 13.376 7.313 ( -0.454 -0.441 2.565) 2.642 7.823 ( -1.759 -0.012 0.311) 1.787 7.965 ( 0.187 -3.232 -0.548) 3.283 8.649 ( -4.190 -3.897 2.234) 6.143 8.714 ( -3.274 -0.900 0.044) 3.395 8.804 ( -1.015 -2.395 -1.657) 3.084 8.849 ( -3.382 0.890 0.565) 3.543 8.946 ( 2.446 -3.805 2.267) 5.059 8.978 ( -1.585 -3.070 0.061) 3.456 9.032 ( -0.238 -0.122 -3.603) 3.613 9.240 ( 4.109 -1.209 -0.106) 4.285 9.337 ( -10.427 10.610 1.825) 14.987 9.469 ( 0.927 3.131 1.922) 3.789 9.592 ( 12.066 -9.532 0.521) 15.386 9.856 ( -1.881 -4.281 -4.814) 6.712 10.072 ( -2.502 -2.265 4.079) 5.294 10.246 ( -0.930 0.729 -0.926) 1.502 11.296 ( -4.537 -0.028 -1.235) 4.702 11.398 ( 2.187 -3.897 2.301) 5.027 11.478 ( 2.989 0.085 2.168) 3.693 11.611 ( -0.606 3.522 0.748) 3.651 12.002 ( -6.802 -14.060 -1.923) 15.736 12.131 ( -1.537 -7.739 2.597) 8.306 12.194 ( -17.966 3.354 3.238) 18.561 12.397 ( -7.221 -3.719 -1.582) 8.275 12.591 ( 2.496 -5.830 1.118) 6.439 12.718 ( 10.878 11.086 1.295) 15.586 12.740 ( 0.698 -3.035 -1.204) 3.339 12.928 ( 9.935 4.538 -3.231) 11.390 13.159 ( 5.560 7.471 1.903) 9.506 13.395 ( 12.509 10.569 -5.568) 17.297 13.554 ( 4.152 10.315 -8.002) 13.699 13.797 ( 3.800 4.791 3.392) 6.993 14.412 ( -3.793 4.008 5.278) 7.636 14.650 ( 6.541 4.098 -8.690) 11.623 14.820 ( 10.050 10.248 7.086) 16.007 14.956 ( 6.593 7.062 -3.793) 10.379 16.818 ( -9.060 -10.008 3.206) 13.875 17.033 ( -14.470 -15.367 -4.288) 21.539 17.679 ( 3.104 2.886 11.545) 12.298 18.336 ( -4.187 4.489 -8.277) 10.305 18.620 ( 3.607 4.031 -0.075) 5.409 18.746 ( 7.989 2.147 -10.314) 13.222 ======================= Grid point 149 (66/141) ======================= q-point: (-0.60 0.40 0.20) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.963 ( -15.186 0.000 8.656) 17.480 3.041 ( -1.275 0.000 0.550) 1.389 3.435 ( 7.101 -0.000 -6.358) 9.531 3.529 ( -0.351 0.000 -8.792) 8.799 3.612 ( -4.510 0.000 2.213) 5.023 3.668 ( -4.062 0.000 0.993) 4.182 3.842 ( -1.790 0.000 1.903) 2.612 3.944 ( -6.094 0.000 4.362) 7.494 4.105 ( 2.646 -0.000 0.654) 2.726 4.349 ( 5.298 -0.000 0.276) 5.306 4.361 ( 2.413 -0.000 2.462) 3.447 4.401 ( -1.266 0.000 -4.417) 4.595 4.605 ( 11.318 -0.000 0.946) 11.357 4.626 ( 8.937 -0.000 -0.381) 8.945 5.288 ( 3.648 -0.000 -11.263) 11.839 5.316 ( -0.930 0.000 1.059) 1.410 5.412 ( 0.651 -0.000 -3.612) 3.670 5.438 ( -6.087 0.000 -4.140) 7.362 5.571 ( -4.348 0.000 13.306) 13.998 5.795 ( 11.416 -0.000 -1.239) 11.483 5.848 ( 7.381 -0.000 3.380) 8.118 6.043 ( -1.094 0.000 -1.972) 2.255 6.361 ( -2.473 0.000 3.801) 4.535 6.439 ( -4.784 0.000 5.520) 7.304 6.773 ( 4.175 -0.000 4.214) 5.932 6.833 ( -2.661 0.000 -1.000) 2.843 7.101 ( 0.923 -0.000 4.515) 4.609 7.178 ( -2.960 0.000 -11.524) 11.898 7.581 ( -2.551 0.000 -9.157) 9.505 7.657 ( -3.453 0.000 8.860) 9.510 7.829 ( -15.202 0.000 -13.477) 20.315 7.840 ( -9.457 0.000 4.861) 10.633 8.255 ( -14.379 0.000 -2.065) 14.526 8.414 ( -1.981 0.000 -0.944) 2.194 8.549 ( -3.460 0.000 1.631) 3.825 8.621 ( -7.540 0.000 -1.943) 7.786 8.789 ( -15.566 0.000 6.068) 16.706 8.917 ( 3.533 -0.000 1.811) 3.970 9.021 ( 14.289 -0.000 -3.246) 14.653 9.060 ( 6.320 -0.000 2.282) 6.720 9.256 ( -0.461 0.000 -7.512) 7.526 9.301 ( -6.746 0.000 5.612) 8.775 9.800 ( -9.298 0.000 7.868) 12.181 9.869 ( 4.160 -0.000 -0.208) 4.165 10.204 ( 1.042 -0.000 3.924) 4.060 10.353 ( 11.380 -0.000 -5.384) 12.590 10.618 ( 19.560 -0.000 -1.048) 19.588 10.650 ( 21.446 -0.000 -0.319) 21.448 11.419 ( 2.945 -0.000 3.039) 4.232 11.621 ( 1.762 -0.000 -0.958) 2.005 11.878 ( -0.713 0.000 -0.043) 0.714 11.904 ( -2.541 0.000 1.577) 2.991 12.098 ( 13.116 -0.000 0.575) 13.129 12.340 ( 14.020 -0.000 1.682) 14.120 12.536 ( -9.403 0.000 -0.430) 9.413 12.581 ( -3.792 0.000 -0.368) 3.810 12.991 ( -1.971 0.000 0.468) 2.026 13.248 ( 2.557 -0.000 1.939) 3.209 13.422 ( -4.853 0.000 -5.820) 7.578 13.806 ( 5.501 -0.000 15.693) 16.630 14.171 ( -3.713 0.000 -16.990) 17.391 14.202 ( 5.280 -0.000 -16.597) 17.417 14.601 ( -10.354 0.000 8.616) 13.470 14.602 ( -19.704 0.000 -1.138) 19.737 15.355 ( 7.707 -0.000 1.038) 7.777 15.568 ( 6.103 -0.000 8.313) 10.313 16.100 ( -3.045 0.000 5.520) 6.304 16.103 ( 4.011 -0.000 -3.817) 5.537 18.328 ( -4.841 0.000 4.465) 6.586 18.421 ( -3.449 0.000 -0.288) 3.461 18.580 ( -0.224 0.000 -6.220) 6.224 18.604 ( 3.780 -0.000 -0.867) 3.878 ======================= Grid point 151 (67/141) ======================= q-point: (-0.50 0.40 0.20) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.697 ( -11.586 9.383 9.971) 17.936 3.018 ( 0.756 4.068 0.488) 4.167 3.386 ( -5.616 19.687 1.071) 20.501 3.463 ( -1.545 2.020 -9.997) 10.316 3.539 ( 6.075 1.021 -3.948) 7.317 3.626 ( -3.343 -1.334 -2.043) 4.139 3.815 ( -3.143 -0.363 4.102) 5.181 3.894 ( -2.729 -4.638 2.056) 5.761 4.161 ( 1.609 -1.312 1.214) 2.405 4.272 ( -2.224 6.098 2.378) 6.913 4.460 ( 0.535 -10.014 -1.047) 10.083 4.548 ( 6.970 -6.831 -2.259) 10.017 4.749 ( 8.499 3.634 -0.180) 9.245 4.842 ( 10.749 -2.876 0.079) 11.127 5.143 ( -8.733 8.228 -7.132) 13.958 5.282 ( -2.022 1.466 -4.769) 5.383 5.369 ( 2.345 5.099 -0.757) 5.663 5.429 ( -0.835 -0.314 -0.095) 0.897 5.572 ( -3.176 -4.517 11.560) 12.811 5.909 ( 2.025 4.350 -2.501) 5.411 6.064 ( 9.104 -5.380 3.933) 11.283 6.179 ( 13.674 -3.271 0.716) 14.078 6.326 ( -2.204 -1.181 4.067) 4.775 6.399 ( -1.500 -1.916 5.816) 6.304 6.705 ( -7.510 5.946 -0.796) 9.612 6.833 ( -0.999 -5.165 -0.661) 5.302 7.102 ( -0.900 0.829 3.444) 3.655 7.127 ( 0.791 1.032 -3.051) 3.317 7.348 ( -8.739 13.640 -8.179) 18.147 7.498 ( -5.471 3.244 -8.951) 10.981 7.677 ( -2.296 -4.365 0.304) 4.942 7.805 ( -9.756 -8.454 2.522) 13.153 8.034 ( -5.354 -4.352 -1.017) 6.974 8.355 ( -7.687 -10.852 -2.669) 13.564 8.481 ( -8.160 -3.422 4.492) 9.923 8.532 ( -2.923 -1.219 -0.957) 3.309 8.670 ( 0.091 -2.527 0.845) 2.666 8.948 ( -0.381 -0.902 -0.274) 1.017 9.163 ( 5.060 2.010 0.792) 5.502 9.174 ( -2.576 -0.403 -1.739) 3.134 9.210 ( 0.357 -1.050 1.543) 1.900 9.288 ( 4.563 -0.994 -4.066) 6.192 9.699 ( -5.592 -1.536 9.222) 10.894 9.942 ( 4.476 0.430 -2.058) 4.945 10.206 ( -0.307 4.488 5.200) 6.876 10.445 ( 6.242 7.619 -3.533) 10.463 10.977 ( 12.515 -9.907 0.138) 15.962 11.037 ( 13.377 -10.074 -0.683) 16.761 11.482 ( 2.462 0.156 1.658) 2.973 11.633 ( 0.328 0.507 -0.201) 0.636 11.899 ( 4.416 3.661 3.349) 6.642 11.969 ( 6.613 -2.723 1.006) 7.222 12.270 ( -5.532 4.587 -1.997) 7.459 12.353 ( -5.776 2.310 1.495) 6.398 12.443 ( 10.945 -7.017 0.222) 13.003 12.768 ( 12.203 -4.595 3.216) 13.430 12.980 ( 4.394 4.296 -1.657) 6.365 13.230 ( -10.124 1.578 4.183) 11.068 13.346 ( 2.237 -0.991 -1.418) 2.827 13.828 ( -9.800 4.561 -5.378) 12.073 14.024 ( 2.811 10.273 -4.534) 11.576 14.168 ( -4.324 4.632 -7.815) 10.061 14.286 ( -9.766 -2.661 -10.200) 14.370 14.512 ( -2.194 -0.816 11.054) 11.299 15.435 ( 2.592 11.548 5.213) 12.933 15.658 ( 7.401 8.493 -0.455) 11.274 16.090 ( -4.599 -13.176 6.142) 15.247 16.220 ( 1.797 -12.876 -1.653) 13.105 18.173 ( -3.868 12.063 4.450) 13.427 18.428 ( -2.968 -8.085 -1.096) 8.682 18.565 ( 0.138 -1.085 -4.317) 4.454 18.647 ( 1.956 0.769 -2.456) 3.233 ======================= Grid point 152 (68/141) ======================= q-point: (-0.40 0.40 0.20) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.452 ( -3.805 16.684 11.565) 20.654 2.991 ( 3.266 8.056 1.146) 8.768 3.049 ( -3.651 28.292 0.449) 28.530 3.403 ( 1.545 2.225 -12.401) 12.694 3.550 ( -2.424 2.129 -3.905) 5.065 3.628 ( 4.726 0.658 -3.102) 5.691 3.792 ( -0.727 -0.141 5.495) 5.545 3.894 ( -2.079 -0.716 0.752) 2.324 4.173 ( 1.970 4.045 3.752) 5.859 4.241 ( -1.060 -2.808 3.206) 4.391 4.574 ( 1.402 -7.944 -1.451) 8.196 4.667 ( -0.609 -7.601 -5.393) 9.340 4.801 ( -3.681 6.235 -0.529) 7.260 4.861 ( 1.172 8.433 -0.041) 8.514 5.117 ( 5.236 -7.052 -1.331) 8.883 5.203 ( -1.747 1.460 -4.467) 5.014 5.276 ( 1.219 20.413 0.848) 20.467 5.336 ( -2.136 10.141 -1.212) 10.435 5.618 ( 0.485 -2.091 10.446) 10.665 5.898 ( 2.927 2.938 -2.684) 4.940 6.194 ( -1.952 -5.333 4.451) 7.216 6.315 ( 0.124 -3.335 2.312) 4.060 6.404 ( 1.615 -3.286 5.683) 6.760 6.411 ( -3.746 -4.095 0.896) 5.621 6.648 ( 3.821 -7.951 1.347) 8.923 6.891 ( -0.770 -8.761 -2.917) 9.266 6.991 ( -8.713 1.596 -5.410) 10.379 7.142 ( 2.510 1.541 2.944) 4.165 7.200 ( 4.098 4.866 -4.585) 7.841 7.395 ( -0.769 2.922 -7.584) 8.164 7.679 ( 0.086 -3.856 -2.720) 4.720 7.761 ( 0.320 -3.499 -2.035) 4.060 8.161 ( 3.860 -16.391 4.678) 17.477 8.372 ( -3.494 -12.950 -1.001) 13.451 8.458 ( -1.214 -8.617 2.261) 8.991 8.545 ( 2.183 -1.736 0.475) 2.829 8.730 ( 3.258 -0.956 1.839) 3.861 8.927 ( -2.282 -1.414 -3.053) 4.066 9.066 ( -5.365 0.861 1.588) 5.661 9.203 ( -0.251 1.756 2.123) 2.767 9.276 ( 2.860 -3.486 -5.288) 6.950 9.337 ( 2.439 0.917 -3.505) 4.367 9.681 ( -3.914 -5.065 9.235) 11.237 10.008 ( 3.751 0.105 -2.623) 4.579 10.125 ( -4.508 5.975 5.257) 9.146 10.418 ( 1.360 8.293 -2.297) 8.712 11.206 ( -0.516 -10.563 1.215) 10.645 11.288 ( 1.005 -14.681 -0.967) 14.748 11.514 ( 0.438 0.015 2.068) 2.114 11.621 ( -0.656 1.093 -0.482) 1.363 11.898 ( -0.794 7.237 4.450) 8.533 12.090 ( 2.039 5.247 0.226) 5.634 12.193 ( 2.410 -5.432 0.911) 6.012 12.253 ( -2.612 -5.064 -1.139) 5.811 12.747 ( 7.102 -4.283 2.128) 8.562 12.854 ( -3.435 -0.421 3.783) 5.127 12.998 ( -7.387 3.915 2.092) 8.618 13.089 ( 5.320 2.983 -2.114) 6.455 13.431 ( 3.626 1.261 1.205) 4.024 13.528 ( -5.623 4.832 -8.942) 11.616 13.885 ( -2.289 12.981 -11.244) 17.326 13.945 ( -5.515 9.117 -6.150) 12.302 14.330 ( 8.157 -1.110 4.465) 9.365 14.566 ( 4.128 0.959 4.727) 6.348 15.270 ( -4.521 16.437 4.826) 17.718 15.605 ( 2.832 17.364 -3.152) 17.873 16.265 ( -3.475 -27.695 3.730) 28.161 16.392 ( 0.724 -15.313 0.480) 15.338 18.003 ( -2.044 13.060 5.114) 14.174 18.465 ( 0.129 -5.608 -2.222) 6.034 18.587 ( 2.161 -0.778 -1.057) 2.528 18.643 ( 0.146 1.014 -6.027) 6.113 ======================= Grid point 153 (69/141) ======================= q-point: (-0.30 0.40 0.20) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.319 ( 6.519 19.860 12.043) 24.124 2.720 ( 2.138 30.860 -0.291) 30.936 2.989 ( 4.721 7.534 3.492) 9.552 3.367 ( 2.295 5.505 -13.738) 14.977 3.477 ( 2.261 6.920 -6.802) 9.963 3.682 ( 3.427 1.731 -2.143) 4.396 3.825 ( 1.813 1.995 3.441) 4.371 3.873 ( 1.056 -0.986 5.878) 6.053 4.183 ( 1.337 5.263 2.484) 5.971 4.266 ( -1.522 -3.989 3.923) 5.798 4.591 ( -5.394 4.925 -1.835) 7.532 4.621 ( -0.410 4.668 1.061) 4.804 4.687 ( -3.269 -8.144 -5.735) 10.484 4.850 ( -1.310 1.242 -0.397) 1.848 4.984 ( 0.645 23.004 0.993) 23.035 5.128 ( -0.641 7.224 -1.117) 7.338 5.155 ( 2.982 12.703 -1.985) 13.199 5.372 ( 6.950 -1.574 -2.581) 7.579 5.706 ( 3.632 -2.782 4.970) 6.755 5.923 ( 2.682 2.066 1.091) 3.557 6.223 ( -5.296 -13.812 2.687) 15.035 6.359 ( -2.698 -6.685 1.016) 7.280 6.412 ( -5.005 -15.213 0.145) 16.016 6.494 ( -0.522 -4.393 7.844) 9.005 6.755 ( -2.265 -5.660 2.832) 6.721 6.829 ( -7.268 -4.015 -3.964) 9.201 6.985 ( 2.740 -4.764 -4.733) 7.253 7.156 ( -1.165 1.191 0.236) 1.683 7.222 ( 3.749 2.155 -6.162) 7.528 7.332 ( -0.249 3.601 -3.633) 5.122 7.783 ( 6.551 -3.252 -2.023) 7.588 7.829 ( 3.552 -1.122 -2.709) 4.606 8.446 ( 5.810 -14.411 3.472) 15.922 8.543 ( 6.928 -13.502 -0.123) 15.176 8.574 ( 3.241 -7.893 -0.081) 8.533 8.642 ( 3.446 -4.162 4.026) 6.739 8.809 ( 3.386 -1.867 4.008) 5.569 8.918 ( 2.665 -1.795 -2.915) 4.338 8.993 ( -4.587 -1.959 0.311) 4.997 9.151 ( -3.023 2.027 -1.072) 3.795 9.261 ( -1.756 0.751 0.548) 1.987 9.419 ( 5.348 -3.506 -7.219) 9.644 9.703 ( -4.085 -6.541 7.272) 10.600 9.928 ( -7.029 10.326 3.002) 12.847 10.072 ( -0.702 -3.418 -1.122) 3.666 10.320 ( -2.542 6.645 -1.273) 7.227 11.185 ( -10.902 -9.555 1.942) 14.626 11.374 ( -8.796 -15.330 -1.680) 17.754 11.478 ( -4.208 1.088 2.145) 4.847 11.607 ( 0.272 0.083 -0.255) 0.382 11.879 ( 1.503 0.143 3.265) 3.597 11.996 ( -2.205 4.367 0.898) 4.973 12.240 ( -5.086 -5.012 -1.473) 7.291 12.365 ( 3.969 -3.321 2.797) 5.883 12.624 ( -14.549 -2.698 2.853) 15.070 12.793 ( -6.898 -6.313 -3.748) 10.074 12.961 ( 1.079 8.866 1.757) 9.103 13.100 ( 6.215 9.085 2.730) 11.341 13.366 ( 0.693 7.969 -4.239) 9.053 13.541 ( 5.493 7.521 -3.503) 9.951 13.754 ( 4.517 4.967 0.267) 6.719 13.816 ( 2.957 7.383 -12.153) 14.524 14.513 ( 9.299 4.601 9.963) 14.384 14.660 ( 8.537 2.041 -3.687) 9.520 15.024 ( -4.788 14.102 2.130) 15.044 15.424 ( -0.994 18.377 -0.481) 18.410 16.479 ( -6.199 -26.486 0.884) 27.216 16.547 ( -2.338 -16.496 1.556) 16.734 17.873 ( 0.234 12.148 5.901) 13.507 18.534 ( 1.967 -0.595 0.087) 2.057 18.595 ( 0.690 -0.838 -10.746) 10.800 18.647 ( 3.396 0.161 -0.286) 3.412 ======================= Grid point 154 (70/141) ======================= q-point: (-0.20 0.40 0.20) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( 14.887 19.544 13.118) 27.850 2.540 ( 11.757 24.674 -0.992) 27.350 3.015 ( 2.720 3.283 4.111) 5.922 3.295 ( 3.538 10.417 -12.642) 16.759 3.420 ( 5.260 12.506 -6.712) 15.137 3.728 ( 3.701 -0.594 -2.563) 4.540 3.841 ( 2.269 2.644 4.258) 5.502 3.981 ( 2.184 -4.510 6.577) 8.268 4.075 ( -2.278 10.880 -2.467) 11.386 4.295 ( 0.446 -2.269 3.313) 4.040 4.505 ( -2.203 0.287 3.472) 4.122 4.589 ( 1.648 0.955 -2.086) 2.825 4.663 ( -1.222 0.872 -3.645) 3.942 4.789 ( 6.961 14.247 -1.598) 15.937 4.885 ( 4.871 8.596 -1.185) 9.951 5.059 ( -0.308 3.238 -0.918) 3.380 5.137 ( 6.303 8.564 0.833) 10.665 5.459 ( 5.140 2.917 -1.790) 6.175 5.768 ( -1.928 -1.570 0.368) 2.513 5.980 ( 4.168 -0.923 2.404) 4.899 6.305 ( -5.317 -18.125 0.790) 18.905 6.371 ( -5.488 -8.385 3.530) 10.625 6.470 ( -8.238 -17.567 -1.888) 19.494 6.525 ( -3.509 -3.880 7.532) 9.171 6.733 ( -5.047 -1.579 4.128) 6.709 6.756 ( -3.634 -3.140 -4.581) 6.637 7.049 ( 2.714 -0.346 -6.246) 6.819 7.104 ( -3.550 -2.549 -2.939) 5.267 7.180 ( -3.792 1.983 -1.629) 4.578 7.347 ( 5.294 2.852 -0.294) 6.021 7.848 ( -0.355 2.093 -1.265) 2.471 7.910 ( 4.980 -1.353 -2.093) 5.569 8.602 ( -5.141 -0.845 5.852) 7.835 8.654 ( 0.710 -5.523 0.204) 5.572 8.701 ( 2.695 -7.160 -0.839) 7.697 8.814 ( -1.225 -6.049 -2.933) 6.833 8.873 ( -0.211 -3.715 2.066) 4.257 8.888 ( -4.107 -1.748 1.168) 4.614 9.062 ( 1.678 0.141 -3.152) 3.573 9.147 ( 7.017 -5.638 1.432) 9.114 9.343 ( 6.497 -8.948 1.280) 11.132 9.497 ( 2.864 2.998 -1.339) 4.357 9.628 ( -6.877 6.744 0.706) 9.658 9.754 ( -4.374 -3.118 1.529) 5.585 10.050 ( -1.598 0.086 0.717) 1.754 10.243 ( -0.707 0.132 -0.875) 1.132 11.133 ( -9.289 -14.718 2.057) 17.526 11.337 ( -6.884 -12.245 -1.964) 14.184 11.399 ( -4.057 -1.409 2.238) 4.843 11.619 ( -0.204 -1.925 -0.225) 1.948 11.841 ( -3.192 2.832 -0.225) 4.273 12.025 ( 3.958 -1.020 2.769) 4.937 12.209 ( -9.564 -6.700 1.323) 11.752 12.299 ( -9.190 -3.317 0.962) 9.818 12.490 ( -3.249 -2.411 0.140) 4.048 12.708 ( -5.758 -0.681 -1.371) 5.958 12.946 ( 3.892 8.479 4.025) 10.161 13.074 ( 6.484 9.762 -4.922) 12.711 13.318 ( 3.573 6.858 3.377) 8.438 13.588 ( 10.468 7.377 -8.259) 15.238 13.748 ( 2.028 8.047 -13.183) 15.578 13.861 ( 5.786 2.182 10.014) 11.769 14.549 ( -2.883 9.538 12.607) 16.069 14.728 ( 6.297 3.755 -15.372) 17.031 14.994 ( 14.065 6.202 3.415) 15.747 15.218 ( -0.980 17.257 2.164) 17.420 16.568 ( -9.273 -17.436 1.202) 19.785 16.634 ( -9.817 -19.050 0.248) 21.433 17.805 ( 2.166 9.118 7.627) 12.083 18.444 ( -4.306 5.430 -5.957) 9.138 18.680 ( 4.843 1.088 -1.869) 5.304 18.724 ( 5.895 -3.502 -4.474) 8.188 ======================= Grid point 155 (71/141) ======================= q-point: (-0.10 0.40 0.20) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.450 ( 11.632 15.500 16.363) 25.364 2.694 ( 25.441 12.946 -2.565) 28.660 3.054 ( 3.196 0.212 1.728) 3.639 3.204 ( 6.267 15.999 -6.731) 18.454 3.384 ( 4.664 7.927 -12.556) 15.565 3.788 ( 3.013 0.542 -1.897) 3.602 3.867 ( 1.108 3.547 5.717) 6.819 3.887 ( -4.475 2.102 0.011) 4.944 4.080 ( -0.854 -2.018 0.813) 2.338 4.349 ( 1.552 0.288 4.400) 4.675 4.505 ( 2.391 -0.226 0.610) 2.478 4.576 ( -5.320 -6.386 -8.354) 11.784 4.703 ( 5.614 0.878 3.774) 6.821 4.783 ( 2.331 3.674 -3.461) 5.560 4.964 ( 17.385 14.472 3.105) 22.832 5.064 ( 2.907 -0.528 -1.006) 3.121 5.189 ( 10.973 10.746 1.412) 15.423 5.504 ( 6.345 7.130 -1.555) 9.670 5.701 ( -4.829 0.322 2.335) 5.373 6.061 ( 1.266 -3.024 -0.626) 3.337 6.337 ( -6.286 -7.583 1.235) 9.927 6.399 ( -5.645 -11.231 1.412) 12.649 6.468 ( -8.204 -16.142 -2.197) 18.240 6.502 ( -5.438 -3.513 5.904) 8.762 6.638 ( -4.654 4.723 1.552) 6.810 6.716 ( -2.844 -2.020 -4.657) 5.819 7.015 ( -6.626 -1.867 -4.430) 8.186 7.098 ( -1.936 -1.482 -0.969) 2.623 7.106 ( 0.774 -0.434 0.078) 0.890 7.414 ( 5.873 4.471 2.645) 7.841 7.786 ( -3.385 1.174 -0.756) 3.662 7.968 ( 1.755 0.847 0.143) 1.954 8.404 ( -18.420 -3.135 2.944) 18.915 8.592 ( -11.950 -3.389 -2.027) 12.585 8.759 ( -1.305 -1.282 -1.635) 2.454 8.763 ( 0.989 -4.241 -0.162) 4.358 8.930 ( -2.917 0.091 -0.355) 2.940 8.943 ( 2.203 -3.416 2.227) 4.634 9.036 ( 0.726 1.344 -6.107) 6.295 9.250 ( -0.394 -2.057 -0.364) 2.126 9.283 ( -5.582 4.381 2.467) 7.513 9.504 ( -3.009 5.224 3.677) 7.061 9.687 ( 6.950 -8.519 -1.695) 11.125 9.761 ( -0.541 -2.750 3.063) 4.152 10.094 ( 3.861 -0.324 -0.023) 3.874 10.265 ( 3.605 1.377 -1.586) 4.173 11.150 ( -5.431 -14.702 -0.677) 15.687 11.399 ( 1.539 -2.849 2.231) 3.933 11.442 ( -3.005 -16.628 1.713) 16.984 11.627 ( -0.231 -0.113 -0.332) 0.420 11.792 ( -1.054 -0.814 0.814) 1.561 11.949 ( -10.174 -0.489 1.597) 10.311 12.139 ( 5.034 5.865 0.125) 7.730 12.212 ( -6.723 -2.349 0.565) 7.144 12.574 ( 2.765 -9.500 2.320) 10.162 12.666 ( -1.048 -7.332 -1.778) 7.617 12.941 ( 2.867 6.329 4.126) 8.081 13.064 ( 1.612 3.967 -7.770) 8.872 13.376 ( 5.982 5.871 7.391) 11.175 13.637 ( -0.027 6.980 -12.284) 14.129 13.675 ( 10.371 6.745 -9.863) 15.822 13.930 ( 3.051 6.120 9.471) 11.681 14.388 ( -5.391 5.322 3.443) 8.321 14.796 ( 6.309 4.139 -3.670) 8.390 15.101 ( 6.437 12.054 1.663) 13.765 15.245 ( 18.256 6.009 0.750) 19.234 16.517 ( -15.115 -13.970 1.035) 20.608 16.569 ( -15.594 -12.796 0.342) 20.175 17.813 ( 3.512 4.162 8.506) 10.100 18.278 ( -5.038 5.315 -6.818) 10.006 18.723 ( 3.092 2.672 1.607) 4.391 18.855 ( 6.457 -1.104 -6.918) 9.527 ======================= Grid point 161 (72/141) ======================= q-point: ( 0.50 -0.50 0.20) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.641 ( -3.385 0.000 8.468) 9.120 3.061 ( 0.880 0.000 3.204) 3.322 3.425 ( 0.376 0.000 -8.560) 8.568 3.455 ( -0.996 0.000 -2.462) 2.655 3.580 ( 1.162 -0.000 -2.918) 3.141 3.600 ( 2.113 0.000 -2.070) 2.958 3.785 ( -2.641 -0.000 2.878) 3.906 3.831 ( 0.201 0.000 0.842) 0.866 4.162 ( -0.511 0.000 2.114) 2.175 4.327 ( -1.943 0.000 1.690) 2.575 4.386 ( 2.882 -0.000 1.226) 3.132 4.572 ( -0.401 0.000 -3.592) 3.614 4.852 ( 1.445 0.000 -0.302) 1.476 4.961 ( -11.129 0.000 -5.271) 12.314 5.071 ( 14.991 0.000 0.634) 15.004 5.184 ( -5.563 0.000 -6.082) 8.243 5.404 ( -2.437 0.000 0.615) 2.514 5.487 ( 3.327 0.000 -1.571) 3.679 5.586 ( 2.696 0.000 12.184) 12.479 5.948 ( 1.839 0.000 -3.019) 3.535 6.160 ( -1.807 0.000 7.442) 7.658 6.299 ( 1.672 -0.000 2.406) 2.930 6.320 ( -0.687 0.000 6.338) 6.376 6.477 ( -8.149 0.000 1.691) 8.323 6.570 ( 8.499 0.000 0.856) 8.542 6.789 ( -0.666 0.000 -2.400) 2.490 7.013 ( -7.979 0.000 -4.530) 9.175 7.168 ( 2.854 0.000 0.167) 2.859 7.356 ( -2.190 0.000 -14.150) 14.318 7.367 ( 3.111 -0.000 -0.698) 3.188 7.629 ( 0.496 0.000 -0.551) 0.742 7.691 ( 0.829 0.000 1.839) 2.017 7.995 ( 3.890 -0.000 2.697) 4.734 8.186 ( -2.542 0.000 -4.738) 5.377 8.365 ( -2.132 0.000 4.376) 4.868 8.525 ( 2.064 0.000 -0.689) 2.176 8.721 ( 4.139 0.000 1.625) 4.446 8.911 ( -2.468 0.000 -2.837) 3.760 9.075 ( -5.902 0.000 -0.400) 5.916 9.218 ( 4.333 0.000 -7.988) 9.088 9.227 ( -1.173 0.000 3.951) 4.121 9.361 ( 2.128 0.000 -0.713) 2.244 9.628 ( -4.387 0.000 10.095) 11.007 9.991 ( 2.149 0.000 -2.654) 3.415 10.223 ( -2.983 0.000 5.474) 6.234 10.538 ( 1.069 -0.000 -2.403) 2.630 11.044 ( 1.147 0.000 0.999) 1.521 11.120 ( -0.364 0.000 -0.816) 0.894 11.518 ( 1.375 0.000 2.487) 2.842 11.632 ( -0.392 0.000 -0.381) 0.546 12.021 ( -4.237 0.000 3.282) 5.360 12.116 ( -11.841 0.000 1.035) 11.886 12.140 ( 13.042 0.000 0.795) 13.066 12.204 ( 4.151 0.000 -0.997) 4.269 12.695 ( 6.704 0.000 2.357) 7.106 12.831 ( -5.117 -0.000 3.960) 6.471 13.036 ( -7.114 0.000 2.478) 7.533 13.138 ( 6.074 0.000 -1.267) 6.205 13.420 ( 5.933 0.000 5.673) 8.208 13.587 ( -8.989 0.000 -12.534) 15.424 14.040 ( -6.175 0.000 -20.331) 21.248 14.043 ( -5.891 -0.000 -8.588) 10.415 14.305 ( 11.900 0.000 10.690) 15.996 14.576 ( 5.268 0.000 5.341) 7.502 15.599 ( 1.093 0.000 3.800) 3.954 15.758 ( 0.093 0.000 2.201) 2.203 15.922 ( -6.658 -0.000 2.952) 7.283 16.151 ( 1.292 0.000 -0.667) 1.454 18.207 ( -2.283 0.000 2.673) 3.515 18.341 ( -0.006 0.000 0.204) 0.204 18.578 ( 3.110 0.000 -2.642) 4.081 18.655 ( -0.249 0.000 -3.639) 3.648 ======================= Grid point 163 (73/141) ======================= q-point: (-0.40 0.50 0.20) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.633 ( 5.334 9.027 6.983) 12.598 3.073 ( -0.198 1.202 4.705) 4.861 3.294 ( 0.713 22.708 -2.739) 22.883 3.446 ( 5.003 1.451 -10.616) 11.825 3.585 ( 2.959 5.017 -2.397) 6.299 3.686 ( 4.597 -3.863 -3.771) 7.090 3.800 ( 1.091 -3.681 5.290) 6.536 3.848 ( -0.842 -1.211 3.480) 3.780 4.168 ( -1.812 -4.299 1.292) 4.841 4.264 ( -0.947 2.827 1.706) 3.435 4.503 ( -2.311 -5.505 -1.759) 6.224 4.518 ( -1.509 -5.846 -1.454) 6.210 4.732 ( -9.571 4.559 -0.879) 10.638 4.831 ( -5.755 -1.890 0.481) 6.076 5.068 ( -3.755 0.394 -7.532) 8.425 5.321 ( 7.401 1.545 -1.823) 7.778 5.362 ( 2.467 -0.750 -1.475) 2.971 5.468 ( 1.580 9.295 1.302) 9.518 5.691 ( 3.885 0.265 10.170) 10.890 5.969 ( 1.370 1.954 -1.220) 2.680 6.040 ( -11.377 -4.050 4.010) 12.725 6.202 ( -11.899 -3.824 -1.764) 12.622 6.328 ( 0.333 2.018 6.536) 6.848 6.409 ( 1.206 -3.873 7.719) 8.720 6.745 ( -4.298 -2.718 -2.465) 5.651 6.774 ( 7.727 4.077 3.415) 9.380 6.949 ( 3.606 0.039 -5.218) 6.343 7.221 ( 2.247 3.763 0.981) 4.492 7.281 ( 3.657 2.499 -12.671) 13.423 7.397 ( -0.532 1.844 -5.117) 5.465 7.757 ( 11.036 1.592 2.727) 11.479 7.829 ( 12.133 -0.802 -2.365) 12.388 8.153 ( 7.240 -8.588 3.347) 11.720 8.257 ( 5.974 -12.400 -4.914) 14.614 8.436 ( 5.765 -4.267 1.439) 7.315 8.594 ( 4.087 -1.274 1.278) 4.468 8.784 ( 0.392 -0.480 6.359) 6.389 8.872 ( -0.312 -1.576 -3.708) 4.041 8.985 ( -3.387 0.171 -1.870) 3.873 9.172 ( -4.319 0.416 0.194) 4.344 9.248 ( -2.830 -1.328 -3.004) 4.335 9.392 ( 5.346 0.148 -4.063) 6.716 9.607 ( -3.041 -2.295 10.003) 10.704 10.011 ( -1.044 -1.441 0.053) 1.780 10.127 ( -4.585 6.389 2.444) 8.235 10.477 ( -3.099 7.060 -1.578) 7.870 10.987 ( -13.357 -6.803 0.448) 14.997 11.047 ( -12.080 -12.458 -0.506) 17.361 11.512 ( -3.195 1.465 3.096) 4.684 11.617 ( -0.445 0.346 -1.250) 1.371 11.902 ( -2.340 1.222 2.427) 3.586 11.983 ( -5.540 -3.624 2.007) 6.918 12.310 ( 2.859 8.158 -1.266) 8.737 12.368 ( 9.537 2.459 2.514) 10.165 12.539 ( -15.172 -4.561 4.656) 16.513 12.638 ( -14.526 -7.256 -3.601) 16.632 13.113 ( 4.358 5.697 3.017) 7.781 13.183 ( 6.039 -0.221 4.064) 7.283 13.482 ( -1.576 3.010 -6.167) 7.041 13.585 ( 8.194 -0.380 7.072) 10.830 13.866 ( -2.089 3.944 -15.124) 15.769 13.940 ( 0.797 3.356 -14.851) 15.246 14.588 ( 15.764 2.156 9.664) 18.615 14.690 ( 7.306 0.768 -2.018) 7.618 15.378 ( -7.071 20.660 5.036) 22.409 15.770 ( -4.921 11.137 2.898) 12.516 15.903 ( -3.712 -24.425 0.189) 24.706 16.254 ( 0.324 -12.169 0.467) 12.182 18.127 ( 0.432 10.982 2.529) 11.278 18.418 ( 2.784 -7.704 -0.901) 8.241 18.619 ( -1.556 1.099 -4.063) 4.488 18.645 ( 4.111 -0.241 -1.058) 4.251 ======================= Grid point 164 (74/141) ======================= q-point: (-0.30 0.50 0.20) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.702 ( 12.960 12.888 5.752) 19.161 3.036 ( -0.786 13.349 -0.417) 13.379 3.089 ( 3.192 13.099 2.146) 13.652 3.473 ( 5.488 7.439 -9.378) 13.168 3.617 ( 6.431 3.253 -2.409) 7.599 3.718 ( -1.375 1.285 -2.697) 3.289 3.874 ( 2.444 0.880 5.767) 6.325 3.913 ( 4.015 -2.807 5.279) 7.201 4.186 ( -2.470 -6.103 2.297) 6.973 4.237 ( -1.839 3.080 -2.149) 4.182 4.413 ( -8.536 -8.912 -4.624) 13.178 4.517 ( -5.080 1.191 1.134) 5.340 4.642 ( -0.774 -5.565 -0.067) 5.619 4.730 ( -7.204 -4.305 2.551) 8.772 5.005 ( 0.239 1.232 -8.274) 8.368 5.295 ( 2.099 7.618 -0.605) 7.925 5.362 ( 1.666 6.891 -0.010) 7.090 5.539 ( 8.416 2.037 -1.454) 8.781 5.734 ( -0.848 1.624 4.191) 4.573 5.922 ( -11.034 -15.083 2.113) 18.807 6.013 ( 4.447 2.020 3.196) 5.838 6.122 ( -5.410 -8.801 -0.466) 10.341 6.339 ( -1.161 -0.786 5.316) 5.498 6.468 ( -0.237 -1.439 6.580) 6.739 6.717 ( -0.500 -1.929 -4.022) 4.488 6.818 ( 3.450 7.294 8.108) 11.439 7.028 ( 4.931 -0.068 -2.437) 5.501 7.147 ( -1.540 4.374 -9.987) 11.011 7.259 ( -2.659 4.821 -5.211) 7.581 7.412 ( 7.594 2.521 -3.348) 8.674 7.896 ( 6.355 4.566 2.895) 8.344 7.976 ( 9.450 7.778 -6.261) 13.748 8.458 ( 10.364 -13.247 0.305) 16.822 8.543 ( 7.180 -10.494 -0.791) 12.740 8.595 ( 0.071 -4.298 4.335) 6.105 8.627 ( 0.126 -3.084 -0.763) 3.179 8.792 ( -4.670 -4.368 2.145) 6.745 8.886 ( -1.270 0.589 1.418) 1.992 8.998 ( 6.184 -3.947 -0.058) 7.337 9.109 ( -1.299 0.181 -3.570) 3.803 9.188 ( -1.931 -5.607 0.236) 5.935 9.529 ( 10.189 0.492 -4.796) 11.272 9.615 ( -2.247 -2.684 8.047) 8.776 9.870 ( -9.903 7.933 3.351) 13.124 10.064 ( 0.713 1.920 -2.059) 2.905 10.294 ( -6.896 5.332 0.004) 8.716 10.813 ( -15.883 -14.121 1.141) 21.283 10.946 ( -16.458 -20.307 -1.983) 26.214 11.429 ( -3.794 2.136 3.541) 5.612 11.607 ( -0.074 -0.055 -1.317) 1.320 11.918 ( 1.861 0.419 0.558) 1.988 12.017 ( 2.921 -5.675 3.037) 7.068 12.085 ( -11.736 3.835 1.307) 12.416 12.244 ( -12.810 -1.598 0.283) 12.912 12.505 ( 0.233 2.475 0.008) 2.486 12.661 ( 3.429 -3.988 -1.250) 5.406 13.094 ( 1.602 6.540 5.958) 8.991 13.248 ( 0.625 5.577 -0.753) 5.662 13.405 ( -1.720 1.474 2.152) 3.125 13.692 ( 7.618 3.069 -11.133) 13.835 13.872 ( 2.450 4.016 -12.900) 13.731 13.907 ( 7.223 2.057 5.095) 9.076 14.760 ( 7.374 6.139 5.086) 10.859 14.825 ( 4.502 8.490 -5.280) 10.965 15.131 ( 3.905 8.869 1.944) 9.884 15.566 ( -4.033 14.306 6.020) 16.036 16.057 ( -8.687 -25.875 -0.448) 27.298 16.358 ( -3.460 -11.728 1.184) 12.285 18.034 ( 1.844 12.430 3.479) 13.039 18.540 ( -2.228 2.995 -2.469) 4.476 18.576 ( 4.659 -8.093 -4.371) 10.310 18.706 ( 2.460 -0.134 -0.001) 2.464 ======================= Grid point 165 (75/141) ======================= q-point: (-0.20 0.50 0.20) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.797 ( 5.385 16.775 8.729) 19.661 2.940 ( 13.125 9.452 -4.961) 16.918 3.092 ( 4.977 4.827 2.385) 7.331 3.447 ( 4.839 9.414 -7.855) 13.181 3.604 ( 0.312 8.981 -0.017) 8.986 3.740 ( 2.956 -2.757 -2.921) 4.987 3.907 ( -3.527 1.895 3.383) 5.242 3.929 ( -1.045 2.102 3.754) 4.427 4.104 ( -3.963 2.045 -2.988) 5.368 4.275 ( 1.973 -6.723 5.683) 9.022 4.395 ( -5.285 -10.297 -6.569) 13.309 4.483 ( -0.226 -1.580 2.063) 2.608 4.601 ( -5.919 -6.353 -0.911) 8.731 4.780 ( 1.931 -5.719 4.867) 7.754 4.987 ( 2.976 2.799 -8.831) 9.730 5.287 ( 5.624 6.281 0.285) 8.435 5.371 ( 5.640 4.805 -0.483) 7.425 5.646 ( 0.154 -6.307 -2.179) 6.675 5.707 ( 5.676 9.593 5.085) 12.251 5.932 ( -5.488 -14.969 0.729) 15.960 6.049 ( -4.247 -5.572 0.581) 7.030 6.185 ( 1.671 -7.732 -0.129) 7.912 6.323 ( -3.513 -1.757 7.482) 8.450 6.485 ( 0.112 1.115 4.604) 4.739 6.705 ( -0.994 0.343 -6.366) 6.452 6.819 ( 3.082 10.189 10.023) 14.621 7.028 ( -3.710 2.726 -8.189) 9.394 7.098 ( 3.622 0.966 -3.719) 5.281 7.140 ( -2.291 3.816 -3.951) 5.952 7.517 ( 8.820 4.949 -1.951) 10.300 7.873 ( -2.947 7.873 1.196) 8.491 8.021 ( 5.818 5.312 -4.176) 8.917 8.377 ( -18.249 0.093 7.802) 19.847 8.552 ( -16.227 -1.266 -2.587) 16.481 8.659 ( 3.563 -3.856 -1.974) 5.609 8.717 ( 4.174 -3.368 -0.608) 5.398 8.854 ( 6.340 -6.455 -1.015) 9.105 8.926 ( 1.695 0.624 3.021) 3.520 9.049 ( -1.054 -1.675 -4.781) 5.175 9.166 ( 1.356 -4.417 0.499) 4.648 9.296 ( -2.764 -6.375 1.348) 7.078 9.552 ( -0.048 1.918 0.780) 2.071 9.643 ( -4.384 4.858 1.328) 6.677 9.735 ( 6.793 0.640 3.793) 7.806 10.084 ( 5.152 -0.330 -1.310) 5.326 10.249 ( 3.977 -1.956 -0.186) 4.436 10.740 ( -12.374 -20.790 1.698) 24.253 10.941 ( -9.275 -26.958 -1.805) 28.566 11.386 ( 0.182 1.055 2.555) 2.770 11.609 ( 0.355 -0.709 -1.415) 1.622 11.861 ( -3.542 3.248 2.320) 5.336 11.964 ( -3.955 0.403 1.728) 4.335 12.113 ( -1.143 -6.331 0.067) 6.434 12.236 ( 9.464 -4.156 1.056) 10.390 12.452 ( -0.915 3.159 0.125) 3.291 12.649 ( -3.334 5.254 -0.122) 6.224 13.070 ( 0.037 5.752 4.915) 7.566 13.171 ( -0.251 5.701 -6.516) 8.661 13.418 ( 1.471 -1.231 7.986) 8.213 13.768 ( 0.673 4.690 -13.267) 14.088 13.783 ( 7.060 3.576 -17.482) 19.190 14.048 ( 5.457 5.067 15.649) 17.330 14.573 ( -9.806 13.140 3.347) 16.733 14.868 ( 8.626 3.205 -4.793) 10.375 15.295 ( 10.724 5.111 -5.852) 13.243 15.431 ( 6.778 11.723 10.186) 16.945 16.103 ( -14.557 -23.014 0.149) 27.232 16.365 ( -8.209 -8.831 1.465) 12.146 17.964 ( 2.020 10.283 4.550) 11.425 18.407 ( -4.718 6.732 -4.165) 9.216 18.731 ( 0.608 -4.127 -0.982) 4.286 18.766 ( 6.275 -4.968 -2.156) 8.289 ======================= Grid point 166 (76/141) ======================= q-point: (-0.10 0.50 0.20) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.706 ( -1.549 6.921 6.490) 9.614 3.117 ( 8.672 2.623 0.907) 9.105 3.215 ( 14.692 4.429 -0.857) 15.369 3.413 ( 4.398 7.951 -7.764) 11.952 3.504 ( -0.235 10.016 -4.095) 10.823 3.749 ( -4.926 -1.666 0.023) 5.200 3.812 ( -1.355 -1.069 3.672) 4.058 3.937 ( 0.284 0.934 1.732) 1.988 4.012 ( -5.634 -0.310 -1.916) 5.959 4.313 ( -4.222 -2.542 0.833) 4.998 4.424 ( 1.403 -5.850 -1.679) 6.246 4.525 ( -0.657 -3.724 1.149) 3.952 4.600 ( 0.075 -3.205 -1.565) 3.567 4.877 ( -0.391 -4.571 5.977) 7.535 5.021 ( 7.746 2.602 -6.834) 10.653 5.329 ( 2.299 1.037 0.456) 2.562 5.455 ( 6.616 1.109 -1.837) 6.955 5.593 ( -4.979 3.184 7.605) 9.632 5.845 ( 13.203 7.146 -0.353) 15.017 6.018 ( -2.027 -8.682 0.279) 8.920 6.040 ( -4.229 -14.255 -2.677) 15.108 6.248 ( -1.935 -7.059 -0.891) 7.373 6.364 ( 2.630 -1.615 10.467) 10.912 6.481 ( 0.473 1.368 0.238) 1.467 6.620 ( -6.018 0.875 -4.485) 7.557 6.744 ( 0.833 13.522 0.718) 13.566 6.909 ( -3.612 3.724 -2.188) 5.631 7.093 ( 1.016 1.891 -3.327) 3.960 7.140 ( 2.672 -0.182 -2.287) 3.521 7.602 ( 5.587 7.186 2.585) 9.463 7.679 ( -10.497 -0.432 -1.519) 10.615 8.034 ( 0.755 3.393 -1.274) 3.703 8.100 ( -9.493 5.934 6.330) 12.861 8.277 ( -13.793 -5.327 -2.969) 15.081 8.701 ( -1.316 -1.957 -2.353) 3.331 8.806 ( 3.386 0.064 1.284) 3.622 8.862 ( -5.949 2.621 0.841) 6.555 8.978 ( 3.013 -0.163 -1.331) 3.298 9.036 ( 1.933 -1.297 -6.430) 6.838 9.208 ( -0.624 -3.113 0.583) 3.228 9.240 ( -1.769 -1.173 0.975) 2.336 9.502 ( -2.018 2.905 2.915) 4.583 9.625 ( -3.507 -2.151 2.563) 4.848 9.846 ( 5.291 -0.105 3.084) 6.125 10.150 ( 2.447 -0.730 -1.718) 3.078 10.375 ( 4.059 1.449 -1.238) 4.484 10.861 ( 0.330 -22.495 -0.154) 22.498 11.130 ( -2.365 -24.274 0.754) 24.401 11.423 ( 2.223 -0.823 2.506) 3.450 11.620 ( 0.104 -1.156 -1.286) 1.732 11.808 ( -2.315 -0.369 2.331) 3.306 11.940 ( 4.575 2.821 2.687) 6.009 12.139 ( 1.998 8.054 0.223) 8.301 12.373 ( 5.397 4.709 -0.795) 7.207 12.509 ( -4.439 1.396 -0.593) 4.690 12.562 ( 4.470 -12.797 2.739) 13.830 12.999 ( -3.074 4.943 2.941) 6.522 13.092 ( -0.629 4.089 -3.760) 5.590 13.474 ( 0.155 0.408 4.557) 4.578 13.647 ( 0.099 3.364 -15.891) 16.244 13.826 ( 3.065 5.419 -7.805) 9.984 14.062 ( 0.450 6.284 6.979) 9.402 14.353 ( -4.703 3.432 0.786) 5.875 14.909 ( 0.097 5.787 2.483) 6.298 15.378 ( 13.635 6.404 0.590) 15.075 15.628 ( 15.886 5.138 0.630) 16.708 16.020 ( -17.473 -17.682 1.537) 24.907 16.259 ( -11.359 -4.521 1.191) 12.284 17.925 ( 0.877 5.099 4.015) 6.549 18.232 ( -4.515 6.509 -4.301) 9.014 18.760 ( -0.221 -2.468 0.675) 2.568 18.918 ( 5.237 -3.578 -2.974) 7.006 ======================= Grid point 173 (77/141) ======================= q-point: ( 0.60 -0.40 0.20) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.842 ( 10.679 -0.000 2.769) 11.032 3.077 ( -0.974 0.000 3.886) 4.007 3.430 ( -1.032 0.000 -4.553) 4.668 3.536 ( 7.885 -0.000 -7.733) 11.044 3.666 ( 1.635 -0.000 2.742) 3.193 3.689 ( 0.749 -0.000 -3.150) 3.238 3.848 ( 6.704 -0.000 3.753) 7.683 3.886 ( 2.479 -0.000 5.367) 5.912 4.097 ( -3.154 0.000 0.968) 3.299 4.215 ( -3.170 0.000 -2.586) 4.091 4.369 ( -7.007 0.000 -1.638) 7.196 4.532 ( 1.267 -0.000 -1.282) 1.802 4.568 ( -9.980 0.000 -0.426) 9.990 4.676 ( -9.120 0.000 6.285) 11.076 5.023 ( 1.737 -0.000 -10.599) 10.740 5.353 ( 1.899 -0.000 -0.770) 2.049 5.398 ( -0.169 0.000 -2.338) 2.344 5.542 ( -1.885 0.000 -2.294) 2.970 5.753 ( -14.118 0.000 4.137) 14.712 5.809 ( 3.759 -0.000 7.456) 8.350 5.960 ( 0.772 -0.000 3.472) 3.557 6.112 ( 1.673 -0.000 -2.658) 3.140 6.330 ( -2.695 0.000 6.133) 6.699 6.459 ( 2.460 -0.000 6.440) 6.894 6.687 ( 0.005 -0.000 -2.641) 2.641 6.907 ( 1.778 -0.000 11.695) 11.830 7.036 ( 6.189 -0.000 -1.658) 6.407 7.209 ( -1.007 0.000 -16.022) 16.053 7.333 ( -4.215 0.000 -7.884) 8.940 7.428 ( 10.201 -0.000 -1.947) 10.385 8.039 ( 12.061 -0.000 5.294) 13.171 8.139 ( 19.647 -0.000 1.916) 19.740 8.243 ( 8.897 -0.000 -12.628) 15.448 8.292 ( 8.140 -0.000 1.392) 8.258 8.554 ( 4.000 -0.000 1.896) 4.426 8.627 ( -0.158 0.000 -2.314) 2.319 8.730 ( -5.346 0.000 7.846) 9.494 8.898 ( 3.680 -0.000 2.352) 4.368 8.950 ( 0.270 -0.000 -2.211) 2.227 9.116 ( -9.115 0.000 -0.080) 9.115 9.125 ( 0.763 -0.000 -3.572) 3.653 9.528 ( 11.649 -0.000 -5.187) 12.752 9.594 ( -0.738 0.000 9.640) 9.668 9.944 ( -7.045 0.000 4.775) 8.511 10.119 ( 1.005 -0.000 -2.011) 2.248 10.420 ( -8.973 0.000 -1.313) 9.068 10.646 ( -19.177 0.000 -0.900) 19.198 10.647 ( -20.805 0.000 0.220) 20.806 11.458 ( -4.226 0.000 4.489) 6.165 11.605 ( -0.275 0.000 -2.127) 2.144 11.903 ( 1.628 -0.000 0.062) 1.629 11.941 ( 0.957 -0.000 3.233) 3.372 12.159 ( -16.493 0.000 4.301) 17.044 12.237 ( -16.656 0.000 -3.633) 17.047 12.563 ( 8.262 -0.000 0.319) 8.268 12.576 ( 9.201 -0.000 -0.238) 9.204 13.183 ( -0.703 0.000 6.823) 6.860 13.288 ( 2.309 -0.000 6.080) 6.504 13.414 ( -4.728 0.000 -2.831) 5.511 13.724 ( 6.169 -0.000 -11.258) 12.837 13.920 ( 8.936 -0.000 6.792) 11.224 13.924 ( 0.816 -0.000 -18.299) 18.317 14.802 ( 7.317 -0.000 -9.981) 12.376 14.945 ( 18.137 -0.000 5.788) 19.039 15.423 ( -15.854 0.000 11.303) 19.470 15.482 ( -7.639 0.000 7.574) 10.757 15.854 ( -0.765 0.000 -6.473) 6.518 16.192 ( -0.275 0.000 1.335) 1.363 18.232 ( 2.922 -0.000 0.737) 3.014 18.415 ( 2.876 -0.000 -0.409) 2.905 18.584 ( -1.687 0.000 -2.618) 3.115 18.701 ( 1.857 -0.000 -0.615) 1.956 ======================= Grid point 175 (78/141) ======================= q-point: (-0.30 0.60 0.20) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.027 ( 10.851 3.921 0.891) 11.572 3.051 ( -1.574 2.876 -0.716) 3.356 3.306 ( 0.191 12.939 -0.871) 12.970 3.600 ( -0.652 1.198 -1.358) 1.925 3.658 ( -2.342 2.665 0.533) 3.588 3.722 ( 4.194 -1.535 -0.380) 4.482 3.936 ( 0.551 -0.312 3.500) 3.557 3.976 ( 2.125 0.747 0.427) 2.293 4.093 ( -0.080 -5.275 0.683) 5.320 4.184 ( -8.264 3.078 -1.384) 8.927 4.210 ( 0.388 -5.182 -3.438) 6.231 4.457 ( -1.614 -0.746 2.494) 3.062 4.478 ( -7.188 -5.151 -0.872) 8.886 4.662 ( 1.282 -3.685 5.245) 6.537 5.048 ( 5.226 1.712 -9.491) 10.969 5.351 ( -2.115 2.012 -0.397) 2.947 5.422 ( 4.148 1.376 -1.216) 4.536 5.481 ( -2.742 -5.295 -0.897) 6.030 5.616 ( -6.003 -11.285 -0.503) 12.792 5.869 ( 3.629 5.020 8.180) 10.261 6.034 ( -3.086 -0.290 -4.546) 5.502 6.123 ( 3.939 -0.877 8.367) 9.289 6.309 ( -0.539 0.902 0.957) 1.421 6.506 ( 0.829 0.347 5.999) 6.066 6.692 ( -0.002 -1.171 -4.586) 4.733 6.951 ( 0.207 2.425 15.920) 16.105 7.102 ( -0.633 2.559 -0.737) 2.738 7.131 ( 0.760 1.765 -11.477) 11.637 7.223 ( -1.125 2.812 -11.887) 12.266 7.585 ( 8.834 1.456 -3.438) 9.590 8.106 ( -2.117 12.448 5.112) 13.622 8.205 ( 4.712 11.124 -7.871) 14.419 8.385 ( -10.053 -0.508 4.016) 10.837 8.468 ( -1.084 -5.686 -3.266) 6.646 8.581 ( 7.673 -9.849 3.228) 12.896 8.654 ( 6.164 -1.790 0.690) 6.455 8.743 ( 2.065 3.033 -2.148) 4.251 8.925 ( -2.625 -8.948 0.885) 9.367 8.979 ( 2.999 3.952 0.821) 5.029 9.087 ( 2.331 -5.376 0.531) 5.883 9.163 ( 2.519 -2.235 -2.502) 4.196 9.609 ( -0.489 2.060 7.507) 7.800 9.755 ( 9.676 1.848 -3.424) 10.429 9.790 ( -5.595 5.597 2.631) 8.339 10.113 ( -0.082 5.141 -0.847) 5.211 10.216 ( -1.330 -1.052 0.797) 1.874 10.390 ( -14.730 -13.861 -0.254) 20.227 10.454 ( -12.213 -15.814 -0.540) 19.989 11.415 ( -1.056 1.124 3.969) 4.258 11.598 ( 0.036 -0.351 -2.103) 2.132 11.907 ( -6.529 1.720 1.772) 6.980 11.946 ( -0.454 -1.814 -0.396) 1.912 12.002 ( -1.518 -3.285 1.288) 3.841 12.099 ( 2.507 -4.475 0.489) 5.153 12.624 ( 4.805 8.734 -0.334) 9.974 12.726 ( 4.329 -0.067 0.161) 4.332 13.163 ( -1.094 2.809 3.048) 4.287 13.271 ( -2.475 3.529 1.928) 4.722 13.362 ( -2.822 -3.164 6.065) 7.400 13.799 ( 7.649 0.085 -17.076) 18.711 13.850 ( -1.124 1.823 -19.491) 19.608 14.119 ( 7.565 1.729 17.279) 18.941 14.852 ( -1.094 6.214 -16.945) 18.082 14.999 ( -1.527 16.253 15.681) 22.637 15.343 ( 13.316 -2.712 -2.651) 13.845 15.469 ( -12.218 -13.735 15.404) 23.984 15.794 ( -1.616 0.463 -8.855) 9.014 16.208 ( -3.124 -5.425 2.818) 6.866 18.211 ( 2.614 12.512 1.284) 12.846 18.528 ( -0.122 -5.137 -0.248) 5.145 18.533 ( 0.084 -2.046 -2.769) 3.444 18.709 ( -0.824 -2.426 -0.654) 2.644 ======================= Grid point 176 (79/141) ======================= q-point: (-0.20 -0.40 0.20) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.870 ( -9.100 8.515 -1.304) 12.531 3.177 ( 6.700 1.620 -0.217) 6.896 3.268 ( 3.524 1.871 0.792) 4.068 3.534 ( -7.856 -4.151 1.977) 9.103 3.571 ( -1.128 6.544 -2.698) 7.168 3.768 ( -3.890 -2.560 0.836) 4.731 3.857 ( -3.245 6.962 -4.388) 8.846 3.937 ( -1.901 0.549 0.506) 2.042 4.033 ( -0.007 3.572 0.016) 3.572 4.231 ( 0.527 -5.735 4.825) 7.513 4.293 ( 3.085 -5.724 -3.094) 7.201 4.466 ( 1.176 -3.067 0.852) 3.394 4.525 ( 5.717 -2.655 1.446) 6.467 4.754 ( 1.369 -5.714 2.501) 6.386 5.109 ( 7.463 3.683 -5.727) 10.103 5.303 ( -3.023 -2.619 0.179) 4.004 5.436 ( -0.381 -1.216 -1.292) 1.815 5.580 ( 4.520 -4.128 2.134) 6.483 5.739 ( 0.800 -11.930 -2.529) 12.221 5.858 ( -5.010 -1.968 5.708) 7.846 5.945 ( 1.409 0.896 1.457) 2.216 6.225 ( 3.012 0.333 -2.002) 3.632 6.315 ( 2.102 0.194 5.690) 6.069 6.507 ( -2.011 0.518 3.564) 4.125 6.651 ( -3.033 0.781 -5.457) 6.292 6.968 ( -0.449 2.979 12.884) 13.232 6.971 ( -3.761 6.162 -7.772) 10.607 7.123 ( -0.046 -0.366 -5.114) 5.128 7.178 ( 1.631 3.483 -6.507) 7.559 7.668 ( -4.359 -0.695 -7.120) 8.377 7.778 ( -10.244 7.811 9.228) 15.846 8.200 ( -13.360 -0.824 -4.047) 13.983 8.210 ( 6.925 12.693 -0.560) 14.470 8.314 ( -1.267 12.278 3.750) 12.900 8.662 ( 0.146 -0.747 -2.716) 2.821 8.795 ( 5.161 -2.350 -0.319) 5.679 8.869 ( 0.225 -2.838 0.086) 2.849 8.979 ( 1.806 0.285 1.648) 2.462 9.008 ( 3.379 -2.694 -0.897) 4.414 9.144 ( 0.236 -2.022 -0.348) 2.065 9.192 ( -1.465 -2.387 -1.265) 3.073 9.563 ( -2.580 4.413 1.345) 5.286 9.610 ( -2.623 1.318 2.842) 4.086 9.849 ( 0.935 -1.526 1.943) 2.641 10.121 ( -2.092 -2.832 -1.280) 3.746 10.312 ( -5.969 -8.030 1.305) 10.090 10.452 ( 14.960 -12.475 0.153) 19.479 10.613 ( 7.280 -20.923 -0.047) 22.154 11.424 ( 1.750 0.657 2.423) 3.060 11.598 ( -0.149 -0.790 -1.514) 1.714 11.836 ( 0.092 2.497 1.892) 3.134 11.943 ( 1.260 -0.390 0.768) 1.526 12.116 ( 5.416 -8.056 -0.490) 9.720 12.281 ( 4.391 -12.613 2.178) 13.532 12.566 ( 3.297 15.380 -1.272) 15.780 12.720 ( 2.131 9.598 1.450) 9.938 13.100 ( -3.002 4.406 1.931) 5.670 13.187 ( -2.599 4.296 -1.132) 5.147 13.407 ( -0.455 -5.913 6.924) 9.117 13.725 ( -2.784 3.242 -18.652) 19.135 13.872 ( 5.407 -0.302 -16.280) 17.157 14.214 ( 0.342 5.250 17.330) 18.111 14.506 ( -12.979 12.968 -1.504) 18.409 15.022 ( 1.486 4.849 4.382) 6.703 15.443 ( -0.516 -4.016 6.539) 7.692 15.583 ( 0.998 -12.118 -1.122) 12.211 15.774 ( 4.932 0.794 -6.669) 8.333 16.198 ( -2.406 -1.412 3.976) 4.857 18.101 ( -1.340 11.652 1.176) 11.788 18.397 ( -4.166 8.904 -1.787) 9.992 18.636 ( -2.043 -9.623 -1.416) 9.939 18.790 ( 3.944 -7.960 -0.301) 8.888 ======================= Grid point 177 (80/141) ======================= q-point: (-0.10 -0.40 0.20) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.608 ( -13.708 0.742 1.683) 13.831 3.229 ( -0.611 -1.024 0.881) 1.483 3.297 ( -6.336 -6.899 -0.176) 9.368 3.405 ( -12.707 -5.603 3.384) 14.293 3.478 ( 0.266 6.556 -8.192) 10.496 3.657 ( -5.101 -0.016 0.313) 5.111 3.791 ( -1.570 -1.006 -3.913) 4.334 3.940 ( 1.744 -0.172 0.971) 2.004 4.024 ( 5.517 7.251 1.337) 9.209 4.264 ( -0.240 0.205 -0.028) 0.317 4.401 ( 2.065 -6.147 -1.801) 6.730 4.556 ( 6.494 1.302 0.695) 6.659 4.669 ( 7.128 0.475 0.497) 7.161 4.829 ( 0.644 -4.059 3.371) 5.316 5.174 ( 3.527 4.136 -4.306) 6.935 5.293 ( -4.662 -5.967 1.981) 7.827 5.410 ( -6.658 -4.365 3.366) 8.644 5.549 ( -10.257 -0.780 2.104) 10.500 5.734 ( -3.362 -8.191 0.821) 8.892 6.025 ( 6.227 -3.514 -2.455) 7.559 6.070 ( 9.354 -4.640 2.846) 10.823 6.234 ( 1.729 -0.343 -4.495) 4.828 6.383 ( -0.605 -2.787 6.594) 7.184 6.496 ( 2.093 -3.025 -2.723) 4.576 6.577 ( 1.577 5.190 0.039) 5.425 6.801 ( -6.218 8.268 -3.008) 10.774 6.933 ( -1.130 5.384 1.623) 5.736 7.085 ( -1.502 -0.960 -6.717) 6.949 7.166 ( 0.237 0.146 -1.050) 1.087 7.392 ( -12.936 -0.567 6.232) 14.370 7.788 ( 2.961 4.865 0.098) 5.696 7.967 ( -6.672 -1.720 -0.348) 6.899 8.226 ( 7.550 17.029 5.154) 19.327 8.266 ( 9.189 6.765 -4.057) 12.111 8.661 ( 0.394 -2.118 -2.629) 3.399 8.793 ( -3.609 0.829 0.403) 3.725 8.859 ( -0.617 4.256 -0.202) 4.305 8.998 ( 2.411 -3.144 -2.056) 4.464 9.085 ( 2.909 3.649 -1.342) 4.855 9.173 ( 0.242 -3.616 -0.071) 3.625 9.216 ( 1.465 -1.782 -0.695) 2.409 9.540 ( 1.895 1.998 4.827) 5.557 9.562 ( -3.065 0.769 1.745) 3.610 9.900 ( 0.969 -3.811 0.798) 4.013 10.121 ( -1.121 -3.784 -1.126) 4.104 10.285 ( -6.973 -9.047 0.239) 11.425 10.876 ( 17.303 -9.519 -1.951) 19.845 11.008 ( 12.290 -16.454 2.157) 20.651 11.459 ( 1.028 0.030 1.905) 2.165 11.599 ( -0.462 -1.343 -0.271) 1.446 11.830 ( 1.767 4.068 1.364) 4.640 11.997 ( 2.645 -0.246 2.278) 3.500 12.309 ( 0.598 -10.521 -2.304) 10.787 12.365 ( -4.764 3.404 0.733) 5.901 12.466 ( 7.754 14.888 3.314) 17.110 12.739 ( 9.452 5.051 1.402) 10.808 12.984 ( -5.135 4.812 2.437) 7.447 13.091 ( -2.268 2.723 -2.473) 4.322 13.461 ( -0.530 -2.495 0.660) 2.635 13.594 ( -2.475 0.048 -16.262) 16.450 13.854 ( -3.424 4.195 -5.947) 8.043 14.102 ( -6.498 7.643 6.492) 11.949 14.280 ( -4.514 -1.385 -0.932) 4.813 14.915 ( -7.432 4.758 6.634) 11.040 15.449 ( -12.159 -11.503 4.349) 17.294 15.645 ( -6.982 -9.449 -2.963) 12.117 15.965 ( 21.284 5.300 -1.113) 21.962 16.231 ( 8.451 5.691 2.866) 10.584 17.929 ( -8.176 4.903 -0.134) 9.535 18.252 ( 0.020 8.060 -1.684) 8.234 18.680 ( -2.194 -7.188 -0.099) 7.516 18.940 ( 3.494 -6.472 -1.074) 7.433 ======================= Grid point 185 (81/141) ======================= q-point: (-0.30 -0.30 0.20) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.994 ( -8.197 0.000 -2.842) 8.676 3.156 ( 1.049 -0.000 -5.548) 5.646 3.326 ( -4.106 0.000 0.909) 4.205 3.442 ( -10.431 0.000 6.326) 12.200 3.662 ( -4.269 0.000 5.423) 6.902 3.724 ( -1.538 0.000 -7.099) 7.263 3.919 ( -1.036 0.000 -0.247) 1.065 3.975 ( -5.581 0.000 -2.799) 6.244 4.104 ( 4.666 -0.000 -1.355) 4.859 4.138 ( 2.003 -0.000 7.573) 7.834 4.233 ( 4.115 -0.000 -4.028) 5.758 4.400 ( 2.229 -0.000 2.683) 3.489 4.513 ( 8.097 -0.000 0.979) 8.156 4.686 ( 2.189 -0.000 1.607) 2.716 5.144 ( 6.359 -0.000 -4.183) 7.612 5.266 ( -4.947 0.000 -0.390) 4.962 5.428 ( -3.282 0.000 -0.422) 3.309 5.551 ( 7.130 -0.000 0.523) 7.149 5.576 ( 9.088 -0.000 -2.083) 9.323 5.862 ( -12.735 0.000 1.044) 12.778 5.951 ( 1.079 -0.000 6.155) 6.249 6.207 ( 2.612 -0.000 4.741) 5.412 6.349 ( 3.552 -0.000 -3.292) 4.843 6.511 ( -3.027 0.000 4.009) 5.024 6.651 ( -1.732 0.000 -3.819) 4.194 6.983 ( -1.006 0.000 5.412) 5.504 7.077 ( -2.905 0.000 0.013) 2.905 7.086 ( -2.415 0.000 -6.597) 7.025 7.218 ( 0.102 -0.000 -5.232) 5.233 7.654 ( -6.138 0.000 -7.311) 9.546 7.868 ( -13.518 0.000 12.072) 18.124 8.188 ( -13.784 0.000 -5.010) 14.666 8.384 ( 6.713 -0.000 -5.868) 8.916 8.550 ( 4.014 -0.000 -0.717) 4.077 8.631 ( 4.258 -0.000 2.315) 4.847 8.756 ( -0.614 0.000 2.489) 2.563 8.840 ( 4.977 -0.000 -1.340) 5.154 8.854 ( 8.924 -0.000 1.749) 9.094 9.012 ( -0.945 0.000 3.340) 3.471 9.127 ( 1.095 -0.000 -1.795) 2.102 9.190 ( 5.484 -0.000 -2.551) 6.048 9.629 ( -2.536 0.000 8.229) 8.611 9.710 ( -6.410 0.000 -0.407) 6.423 9.744 ( -8.614 0.000 -3.790) 9.411 10.036 ( -7.341 0.000 -0.858) 7.391 10.211 ( -7.280 0.000 3.591) 8.117 10.334 ( 20.691 -0.000 -0.991) 20.714 10.408 ( 16.189 -0.000 0.620) 16.201 11.434 ( 1.210 -0.000 2.438) 2.721 11.590 ( -0.243 0.000 -1.655) 1.673 11.889 ( 2.150 -0.000 1.776) 2.789 11.929 ( 3.499 -0.000 -0.428) 3.525 12.023 ( 2.785 -0.000 0.137) 2.789 12.121 ( 1.848 -0.000 1.096) 2.149 12.791 ( 5.786 -0.000 -0.918) 5.858 12.791 ( 4.548 -0.000 0.865) 4.629 13.156 ( -0.750 0.000 -3.456) 3.537 13.236 ( -5.728 0.000 7.764) 9.648 13.313 ( -1.817 0.000 6.459) 6.710 13.760 ( -2.916 0.000 -19.893) 20.106 13.861 ( 5.161 -0.000 -17.471) 18.218 14.258 ( 0.643 -0.000 14.394) 14.408 14.736 ( -14.490 0.000 -0.721) 14.507 15.113 ( -12.647 0.000 16.351) 20.671 15.192 ( 3.686 -0.000 3.982) 5.426 15.524 ( 5.941 -0.000 -9.345) 11.074 15.801 ( 5.969 -0.000 -6.768) 9.024 16.188 ( 2.676 -0.000 6.004) 6.573 18.364 ( -9.257 0.000 -1.871) 9.445 18.384 ( 4.510 -0.000 0.348) 4.523 18.564 ( 1.561 -0.000 0.507) 1.641 18.642 ( -2.320 0.000 -1.242) 2.631 ======================= Grid point 186 (82/141) ======================= q-point: (-0.20 -0.30 0.20) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.687 ( -19.298 5.658 -1.568) 20.171 3.040 ( -16.655 -10.238 -6.280) 20.534 3.285 ( -1.244 0.812 3.834) 4.112 3.299 ( -11.026 -3.050 7.761) 13.824 3.578 ( -3.088 2.522 -1.547) 4.277 3.669 ( -2.712 0.078 -4.203) 5.002 3.798 ( -8.420 2.055 -5.937) 10.506 3.931 ( 1.003 -0.737 0.963) 1.574 4.168 ( 6.332 4.410 -1.956) 7.960 4.250 ( 3.971 -1.332 6.988) 8.147 4.296 ( 3.014 -2.170 -4.086) 5.522 4.527 ( 6.565 -3.022 3.162) 7.888 4.696 ( 10.522 2.085 1.105) 10.783 4.753 ( 3.627 -2.770 0.367) 4.579 5.168 ( -11.233 -4.048 1.575) 12.043 5.208 ( -1.959 -1.018 2.777) 3.547 5.381 ( -1.520 1.492 -4.422) 4.909 5.503 ( -14.103 -2.129 -1.217) 14.315 5.665 ( 2.530 -0.500 4.331) 5.041 5.920 ( 14.904 -3.604 0.565) 15.344 6.010 ( 6.062 -1.321 0.518) 6.226 6.231 ( -0.667 -0.372 -0.058) 0.766 6.394 ( 1.771 2.190 0.836) 2.938 6.445 ( -1.559 -2.062 -2.254) 3.430 6.642 ( 2.075 1.463 0.320) 2.559 6.926 ( -5.743 3.830 -9.151) 11.462 6.991 ( -1.724 1.067 6.059) 6.389 7.051 ( -2.043 -2.188 -7.642) 8.208 7.184 ( -1.732 0.947 1.531) 2.498 7.394 ( -12.774 0.161 7.536) 14.833 7.861 ( 2.891 1.822 2.154) 4.039 7.949 ( -9.598 -0.296 -1.337) 9.695 8.428 ( 5.295 6.016 -6.739) 10.471 8.534 ( 4.299 8.823 0.514) 9.828 8.674 ( 1.338 2.701 -0.655) 3.084 8.760 ( -0.150 -0.790 -0.842) 1.164 8.923 ( 3.231 -1.575 4.566) 5.811 8.960 ( -0.038 1.335 0.269) 1.363 9.093 ( 1.753 -2.281 0.647) 2.948 9.138 ( 5.529 -3.314 -0.289) 6.453 9.258 ( 4.538 9.332 -2.870) 10.767 9.572 ( -4.286 -0.916 5.502) 7.034 9.586 ( 0.945 3.083 1.513) 3.562 9.719 ( -3.659 -10.871 -4.150) 12.198 10.017 ( -1.247 -8.078 -0.909) 8.224 10.132 ( -3.476 -0.932 3.661) 5.133 10.746 ( 20.541 -3.218 -0.785) 20.806 10.762 ( 18.759 -5.895 1.324) 19.708 11.464 ( 1.468 0.290 0.630) 1.623 11.575 ( -1.258 -0.760 -0.654) 1.608 11.927 ( 3.511 5.705 0.527) 6.719 12.052 ( 5.721 5.376 1.275) 7.954 12.086 ( 4.822 -9.790 -1.103) 10.969 12.220 ( 2.845 -9.616 3.245) 10.540 12.819 ( 7.231 12.135 -0.742) 14.145 12.877 ( 5.366 4.762 1.334) 7.297 13.081 ( -5.051 4.436 1.156) 6.821 13.142 ( -5.215 0.767 0.310) 5.280 13.356 ( 0.503 -5.828 5.124) 7.777 13.622 ( -4.864 1.377 -18.778) 19.446 13.861 ( -1.058 -1.072 -14.507) 14.585 14.245 ( -4.618 -0.379 4.558) 6.500 14.374 ( -17.324 12.193 10.949) 23.846 14.957 ( -12.640 -2.969 14.520) 19.479 15.211 ( -7.465 -6.435 -1.815) 10.021 15.503 ( -6.588 -4.140 -7.565) 10.852 16.048 ( 23.603 2.226 -1.666) 23.766 16.320 ( 10.699 2.457 4.299) 11.790 18.069 ( -14.816 6.739 -2.269) 16.434 18.451 ( 0.716 7.031 -0.326) 7.075 18.527 ( 0.057 -2.054 -0.542) 2.125 18.741 ( 2.555 -12.149 -0.138) 12.416 ======================= Grid point 187 (83/141) ======================= q-point: (-0.10 -0.30 0.20) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.285 ( -22.179 -1.504 5.299) 22.852 2.770 ( -25.836 -16.076 -2.748) 30.553 3.146 ( -13.759 -4.768 4.714) 15.305 3.242 ( -4.086 2.053 2.940) 5.436 3.513 ( -0.561 0.586 -7.721) 7.763 3.551 ( -5.930 0.382 -3.876) 7.094 3.686 ( -3.505 -3.454 -6.500) 8.152 3.953 ( -0.731 -0.720 2.305) 2.523 4.235 ( 5.568 2.756 -3.968) 7.372 4.315 ( 3.454 4.901 8.296) 10.236 4.358 ( 0.311 -5.691 -5.065) 7.625 4.623 ( 0.341 -2.092 -3.605) 4.182 4.659 ( -27.463 -7.180 4.930) 28.811 4.877 ( 5.766 -2.655 7.936) 10.163 4.983 ( -8.439 -1.622 2.518) 8.954 5.059 ( -12.109 -4.321 -1.587) 12.955 5.259 ( -3.665 4.199 -2.237) 6.005 5.473 ( 2.579 -4.171 -2.835) 5.665 5.651 ( -5.200 -1.022 7.154) 8.903 6.160 ( 10.678 0.686 -2.929) 11.093 6.196 ( -0.342 -1.018 -4.493) 4.619 6.269 ( 14.817 1.186 1.573) 14.947 6.413 ( 2.298 0.946 2.765) 3.718 6.521 ( 6.415 -4.268 -8.011) 11.115 6.702 ( 8.076 3.422 0.402) 8.780 6.818 ( 4.830 4.361 1.964) 6.797 7.008 ( 4.901 2.801 -2.302) 6.097 7.028 ( 0.777 -1.140 -5.501) 5.671 7.163 ( -0.402 1.328 3.576) 3.836 7.273 ( -5.339 0.606 9.086) 10.556 7.801 ( -2.044 2.945 1.808) 4.015 7.951 ( 2.945 -1.486 -0.167) 3.303 8.467 ( 7.898 3.252 -5.496) 10.157 8.554 ( 6.417 6.156 0.760) 8.925 8.689 ( 4.499 2.762 -1.835) 5.589 8.762 ( 1.004 0.333 -0.355) 1.115 8.897 ( 0.034 6.236 -0.448) 6.253 9.003 ( 0.402 -0.580 3.302) 3.376 9.119 ( -1.331 -1.477 -0.153) 1.995 9.200 ( 1.934 7.293 -0.833) 7.591 9.248 ( 3.627 -1.182 -0.590) 3.860 9.507 ( -3.931 0.669 4.473) 5.992 9.674 ( 7.532 2.619 1.514) 8.117 9.793 ( -0.265 -12.312 -4.625) 13.155 10.087 ( -3.318 -8.655 -0.365) 9.276 10.126 ( 2.939 0.579 2.729) 4.052 11.098 ( 14.507 -5.765 -3.192) 15.933 11.149 ( 13.721 -8.294 3.305) 16.370 11.470 ( -0.462 0.836 -0.096) 0.960 11.574 ( -0.435 -2.274 1.027) 2.533 11.920 ( 1.745 4.424 2.128) 5.210 12.043 ( 0.146 2.359 -1.285) 2.691 12.267 ( 2.856 3.425 1.787) 4.804 12.374 ( 7.357 -2.882 1.722) 8.087 12.816 ( 8.725 14.542 1.181) 16.999 12.882 ( -1.313 4.684 0.446) 4.885 12.917 ( -8.549 3.842 4.008) 10.193 13.080 ( 1.305 0.914 -2.183) 2.703 13.428 ( 0.707 -2.704 -3.328) 4.345 13.462 ( -5.654 -1.764 -14.464) 15.629 13.714 ( -14.010 -1.704 -3.254) 14.484 13.984 ( -16.327 5.050 3.401) 17.426 14.213 ( -1.068 -0.549 3.244) 3.459 14.788 ( -11.699 0.196 10.538) 15.747 15.113 ( -10.925 -9.305 -0.902) 14.379 15.351 ( -13.577 -6.258 -4.415) 15.588 16.494 ( 26.007 5.807 1.365) 26.682 16.518 ( 16.601 4.710 2.001) 17.372 17.741 ( -14.764 1.533 -1.957) 14.972 18.366 ( 1.970 9.332 -1.004) 9.591 18.571 ( -1.638 -6.318 -0.154) 6.529 18.901 ( 2.046 -9.567 -1.914) 9.968 ======================= Grid point 196 (84/141) ======================= q-point: (-0.20 -0.20 0.20) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.304 ( -26.130 0.000 5.028) 26.609 2.560 ( -26.581 0.000 -5.060) 27.059 3.086 ( -14.445 0.000 8.830) 16.930 3.272 ( -1.993 0.000 3.542) 4.064 3.493 ( -4.507 0.000 -9.098) 10.153 3.576 ( -12.485 0.000 -6.218) 13.947 3.662 ( 0.798 -0.000 -6.122) 6.173 3.946 ( -1.088 0.000 2.836) 3.038 4.213 ( -1.694 0.000 -7.055) 7.255 4.312 ( 0.614 -0.000 -3.894) 3.942 4.392 ( 5.285 -0.000 9.512) 10.882 4.568 ( -35.064 0.000 8.349) 36.045 4.589 ( -0.111 0.000 -1.985) 1.988 4.840 ( 7.181 -0.000 5.478) 9.032 4.994 ( -16.958 0.000 4.038) 17.432 5.004 ( 1.906 -0.000 -3.090) 3.631 5.333 ( -0.616 0.000 0.217) 0.653 5.408 ( 0.785 -0.000 -8.707) 8.742 5.641 ( -4.795 0.000 8.552) 9.805 6.155 ( 4.830 -0.000 -1.833) 5.167 6.186 ( 14.313 -0.000 -3.995) 14.860 6.295 ( 13.250 -0.000 1.688) 13.358 6.432 ( 0.441 -0.000 -5.408) 5.426 6.458 ( 8.082 -0.000 -0.430) 8.093 6.753 ( 9.656 -0.000 1.251) 9.737 6.849 ( 1.508 -0.000 -2.383) 2.820 7.015 ( 1.701 -0.000 -7.798) 7.981 7.036 ( 5.653 -0.000 0.423) 5.669 7.181 ( 0.010 -0.000 5.326) 5.326 7.281 ( -5.046 0.000 10.666) 11.799 7.842 ( -1.872 0.000 1.064) 2.154 7.929 ( 2.756 -0.000 0.368) 2.781 8.491 ( 2.706 -0.000 -6.755) 7.277 8.595 ( 0.214 -0.000 -3.177) 3.184 8.696 ( 2.616 -0.000 -0.227) 2.626 8.827 ( 2.971 -0.000 -0.133) 2.974 8.970 ( 1.814 -0.000 6.662) 6.905 8.995 ( -0.577 0.000 -0.714) 0.918 9.097 ( 2.488 -0.000 -0.083) 2.490 9.230 ( 4.873 -0.000 0.627) 4.913 9.418 ( 3.719 -0.000 -1.922) 4.187 9.468 ( -4.318 0.000 4.965) 6.580 9.586 ( -1.929 0.000 -5.193) 5.539 9.702 ( 8.866 -0.000 2.166) 9.127 9.961 ( 0.511 -0.000 -2.199) 2.257 10.144 ( 2.397 -0.000 3.845) 4.531 11.030 ( 14.265 -0.000 0.087) 14.266 11.067 ( 14.971 -0.000 -0.257) 14.973 11.486 ( 1.056 -0.000 -0.693) 1.263 11.540 ( -1.874 0.000 0.420) 1.920 11.990 ( 0.428 -0.000 -0.776) 0.886 12.058 ( 0.784 -0.000 0.881) 1.179 12.291 ( 11.716 -0.000 5.365) 12.886 12.297 ( 11.433 -0.000 -0.241) 11.436 12.942 ( -3.295 0.000 0.002) 3.295 12.949 ( -7.476 0.000 2.631) 7.925 13.046 ( 2.404 -0.000 1.499) 2.833 13.082 ( 2.909 -0.000 -2.545) 3.865 13.374 ( 3.594 -0.000 2.028) 4.127 13.459 ( -7.979 0.000 -16.628) 18.443 13.674 ( -17.455 0.000 -5.419) 18.277 14.039 ( -16.438 0.000 -7.340) 18.003 14.255 ( -7.431 0.000 18.473) 19.912 14.755 ( -11.198 0.000 13.592) 17.611 15.025 ( -9.341 0.000 -5.375) 10.777 15.276 ( -12.335 0.000 -6.500) 13.943 16.557 ( 30.009 -0.000 1.364) 30.040 16.566 ( 13.273 -0.000 2.358) 13.481 17.769 ( -18.242 0.000 -3.096) 18.503 18.483 ( 0.697 -0.000 -0.735) 1.013 18.571 ( -2.266 0.000 -0.272) 2.282 18.700 ( 4.954 -0.000 -1.746) 5.253 ======================= Grid point 197 (85/141) ======================= q-point: (-0.10 -0.20 0.20) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( -26.437 -1.809 14.970) 30.435 2.092 ( -31.645 -13.459 -1.499) 34.420 2.828 ( -18.734 -2.361 2.772) 19.085 3.184 ( -7.605 4.359 -0.120) 8.767 3.386 ( -7.202 -5.866 -1.644) 9.433 3.405 ( -4.552 -4.947 -15.918) 17.279 3.636 ( -2.730 1.505 -3.957) 5.037 3.743 ( -51.186 -8.398 3.844) 52.012 3.892 ( -6.452 -1.594 1.463) 6.806 4.021 ( -23.509 -9.438 -2.122) 25.421 4.347 ( 0.847 0.927 0.455) 1.336 4.462 ( -12.066 -0.536 1.570) 12.179 4.541 ( 7.913 4.438 8.683) 12.558 4.819 ( 2.408 1.121 -5.007) 5.668 4.897 ( -10.763 -1.354 -2.061) 11.042 5.046 ( 7.662 -2.211 8.099) 11.366 5.335 ( 1.211 3.898 -9.799) 10.615 5.487 ( 9.759 -0.336 -0.262) 9.769 5.616 ( -0.769 -1.127 8.365) 8.475 6.145 ( -2.279 0.534 -3.089) 3.876 6.379 ( 8.075 3.773 -4.710) 10.081 6.436 ( 3.290 -1.070 0.781) 3.547 6.550 ( 9.389 -1.949 -5.651) 11.130 6.676 ( 15.015 1.722 0.536) 15.123 6.961 ( 12.001 1.564 -1.457) 12.190 7.015 ( 13.568 -0.351 0.220) 13.574 7.076 ( 10.696 4.210 -1.967) 11.661 7.202 ( 10.150 0.627 5.629) 11.623 7.231 ( 2.990 0.801 5.990) 6.742 7.267 ( 7.729 2.684 2.878) 8.673 7.846 ( 2.522 3.395 2.649) 4.991 7.980 ( 2.226 -1.476 -0.826) 2.795 8.551 ( 5.145 -4.942 -5.239) 8.852 8.600 ( 1.043 -1.474 -2.111) 2.778 8.742 ( 2.364 -0.163 -0.388) 2.401 8.849 ( 1.153 2.475 -0.433) 2.765 8.932 ( -2.792 2.352 0.577) 3.696 9.025 ( -2.117 -4.604 5.582) 7.539 9.116 ( 3.384 7.544 -2.301) 8.583 9.281 ( -1.294 2.767 3.321) 4.512 9.362 ( 5.466 8.944 -1.333) 10.567 9.451 ( -3.944 -0.187 2.319) 4.579 9.632 ( -0.049 -10.738 -5.668) 12.142 9.896 ( 11.482 1.892 -0.176) 11.638 9.997 ( 0.814 -4.721 -0.172) 4.794 10.213 ( 3.777 0.924 3.450) 5.199 11.224 ( 4.247 -2.011 -2.985) 5.567 11.261 ( 5.956 -4.726 1.523) 7.755 11.482 ( 0.124 2.825 0.872) 2.959 11.549 ( 0.731 -2.902 1.203) 3.225 12.029 ( 6.839 2.751 0.639) 7.400 12.107 ( 5.951 2.028 0.498) 6.307 12.440 ( 6.057 7.897 -0.436) 9.962 12.519 ( 8.644 -2.956 3.217) 9.686 12.738 ( -15.918 1.268 5.385) 16.852 12.804 ( -8.365 1.765 -1.093) 8.619 13.041 ( -2.196 6.299 1.498) 6.837 13.114 ( -5.264 6.321 -0.273) 8.230 13.240 ( -15.502 -4.002 -8.846) 18.291 13.291 ( -13.650 -8.963 -1.221) 16.375 13.447 ( 3.740 0.441 -5.472) 6.643 13.696 ( -18.112 -0.489 -1.307) 18.165 14.234 ( 1.341 1.149 4.282) 4.632 14.625 ( -8.668 -0.657 9.975) 13.232 14.867 ( -8.318 -4.111 -4.446) 10.289 15.047 ( -12.846 -3.428 -5.060) 14.226 16.792 ( 12.471 2.487 1.990) 12.872 17.062 ( 26.544 3.830 0.733) 26.829 17.495 ( -10.357 -0.949 -1.081) 10.456 18.467 ( -0.482 6.221 -1.618) 6.446 18.497 ( -1.927 -1.419 0.094) 2.395 18.822 ( 1.719 -8.863 -6.351) 11.038 ======================= Grid point 207 (86/141) ======================= q-point: (-0.10 -0.10 0.20) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( -36.190 0.000 0.988) 36.203 1.438 ( -26.375 0.000 29.543) 39.603 2.471 ( -19.953 0.000 -2.107) 20.064 2.625 ( -64.029 0.000 11.162) 64.995 2.827 ( -33.672 0.000 -17.290) 37.852 3.194 ( -6.781 0.000 0.381) 6.792 3.317 ( -1.461 0.000 0.691) 1.616 3.617 ( -9.615 0.000 -4.839) 10.764 3.619 ( -1.333 0.000 -5.075) 5.247 3.763 ( -6.007 0.000 -3.403) 6.904 4.269 ( -10.600 0.000 2.284) 10.844 4.388 ( 2.351 -0.000 2.774) 3.637 4.666 ( -11.146 0.000 -1.269) 11.218 4.723 ( 6.516 -0.000 6.254) 9.032 4.928 ( 8.353 -0.000 -7.541) 11.254 5.108 ( -0.058 0.000 -2.293) 2.294 5.412 ( 9.296 -0.000 -1.026) 9.353 5.612 ( -0.974 0.000 8.250) 8.307 5.733 ( 12.786 -0.000 0.247) 12.788 6.098 ( -2.291 0.000 -3.838) 4.469 6.451 ( 2.169 -0.000 0.798) 2.311 6.538 ( 6.570 -0.000 -4.729) 8.095 6.601 ( 1.596 -0.000 -4.187) 4.481 6.918 ( 8.950 -0.000 2.420) 9.271 7.021 ( 1.596 -0.000 -5.584) 5.808 7.140 ( -3.100 0.000 9.175) 9.684 7.449 ( 17.120 -0.000 2.478) 17.298 7.459 ( 22.234 -0.000 3.681) 22.537 7.506 ( 24.265 -0.000 1.491) 24.311 7.587 ( 20.733 -0.000 -0.506) 20.739 7.964 ( 6.485 -0.000 2.750) 7.044 7.995 ( 1.113 -0.000 -1.422) 1.806 8.579 ( 4.524 -0.000 -3.003) 5.430 8.605 ( 1.738 -0.000 -1.197) 2.110 8.766 ( -1.037 0.000 -1.078) 1.496 8.842 ( -2.605 0.000 -0.632) 2.681 8.872 ( -1.467 0.000 2.145) 2.599 8.970 ( -3.150 0.000 2.561) 4.060 9.190 ( -1.435 0.000 -3.029) 3.351 9.261 ( -4.471 0.000 6.733) 8.082 9.373 ( -4.692 0.000 -0.438) 4.712 9.468 ( 0.220 -0.000 -2.743) 2.752 9.592 ( 2.974 -0.000 -2.784) 4.074 9.942 ( -1.893 0.000 -4.672) 5.041 10.145 ( 11.936 -0.000 2.012) 12.104 10.239 ( -5.990 0.000 5.866) 8.384 11.169 ( -6.476 0.000 -2.207) 6.841 11.359 ( 7.143 -0.000 1.223) 7.247 11.500 ( -0.713 0.000 3.283) 3.360 11.583 ( 4.421 -0.000 -1.342) 4.620 12.157 ( -21.558 0.000 7.425) 22.801 12.242 ( -12.216 0.000 2.830) 12.540 12.282 ( 10.807 -0.000 0.041) 10.807 12.513 ( -6.725 0.000 -0.278) 6.731 12.564 ( -2.477 0.000 2.394) 3.445 12.725 ( -1.328 0.000 -1.057) 1.697 12.768 ( -4.261 0.000 -0.680) 4.315 12.995 ( -10.846 0.000 -7.934) 13.438 13.115 ( -3.494 0.000 0.128) 3.496 13.203 ( -1.236 0.000 1.962) 2.319 13.350 ( -17.418 0.000 -2.698) 17.625 13.480 ( 0.437 -0.000 -20.841) 20.846 14.303 ( 4.430 -0.000 1.522) 4.684 14.536 ( -4.256 0.000 6.773) 7.999 14.708 ( -5.357 0.000 -3.924) 6.640 14.799 ( -10.683 0.000 -5.117) 11.845 17.013 ( 9.857 -0.000 2.891) 10.273 17.336 ( 0.194 -0.000 -6.952) 6.955 17.535 ( 16.174 -0.000 6.929) 17.596 18.445 ( -1.773 0.000 -1.479) 2.309 18.473 ( -2.898 0.000 0.605) 2.961 18.734 ( -3.485 0.000 -18.887) 19.206 ======================= Grid point 208 (87/141) ======================= q-point: ( 0.00 0.00 0.40) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( 7.434 -0.000 26.959) 27.965 1.066 ( -16.730 0.000 26.515) 31.352 1.536 ( 13.541 -0.000 -21.786) 25.651 1.542 ( -6.564 0.000 -22.944) 23.864 2.119 ( -5.719 0.000 53.280) 53.586 3.019 ( 4.535 -0.000 -43.377) 43.613 3.209 ( 1.835 -0.000 4.094) 4.486 3.250 ( -4.377 0.000 -0.773) 4.444 3.510 ( 1.745 -0.000 -0.395) 1.789 3.512 ( 1.323 -0.000 -0.937) 1.621 4.147 ( -1.409 0.000 7.913) 8.038 4.289 ( -0.080 0.000 -7.112) 7.112 4.717 ( -0.506 0.000 3.721) 3.756 4.812 ( -1.790 0.000 -6.699) 6.934 4.932 ( -1.941 0.000 5.029) 5.390 5.034 ( 2.816 -0.000 -6.138) 6.753 5.777 ( -2.069 0.000 8.291) 8.546 5.890 ( -0.661 0.000 -3.229) 3.296 5.894 ( 4.125 -0.000 6.403) 7.617 6.002 ( -2.334 0.000 -5.965) 6.405 6.540 ( 0.501 -0.000 -0.644) 0.816 6.575 ( 2.183 -0.000 -4.306) 4.828 6.696 ( 3.285 -0.000 5.861) 6.718 6.816 ( -4.569 0.000 -6.812) 8.203 7.121 ( -9.756 0.000 5.312) 11.108 7.181 ( 7.001 -0.000 -1.057) 7.080 8.035 ( -0.362 0.000 0.966) 1.032 8.050 ( -0.133 0.000 -0.517) 0.534 8.144 ( 0.655 -0.000 1.520) 1.655 8.167 ( -1.884 0.000 -0.657) 1.996 8.238 ( 1.780 -0.000 10.432) 10.583 8.376 ( 0.567 -0.000 -4.562) 4.597 8.645 ( 0.837 -0.000 1.801) 1.986 8.679 ( 4.280 -0.000 -2.325) 4.871 8.790 ( 1.777 -0.000 3.207) 3.666 8.844 ( -3.422 0.000 -1.554) 3.758 8.845 ( -2.733 0.000 0.256) 2.745 8.891 ( -1.680 0.000 -5.379) 5.635 9.085 ( -9.603 0.000 2.802) 10.003 9.125 ( 0.693 -0.000 -1.880) 2.003 9.350 ( -3.876 0.000 0.312) 3.889 9.352 ( 0.994 -0.000 0.137) 1.003 9.400 ( -12.514 0.000 5.658) 13.734 9.463 ( 34.586 -0.000 -1.464) 34.617 9.661 ( 3.920 -0.000 6.138) 7.283 9.868 ( -7.581 0.000 -15.492) 17.247 10.953 ( -12.244 0.000 5.593) 13.461 11.008 ( 5.858 -0.000 -0.995) 5.942 11.608 ( -3.683 0.000 2.461) 4.429 11.629 ( -4.246 0.000 4.517) 6.199 11.674 ( 6.341 -0.000 0.125) 6.342 11.682 ( 3.908 -0.000 -4.977) 6.328 12.256 ( -0.171 0.000 0.947) 0.962 12.282 ( 2.634 -0.000 -1.939) 3.271 12.564 ( 0.299 -0.000 -0.786) 0.841 12.593 ( -3.788 0.000 -3.625) 5.243 12.729 ( -5.914 0.000 3.059) 6.658 12.791 ( 9.434 -0.000 -3.291) 9.992 12.866 ( -2.042 0.000 3.004) 3.632 12.916 ( 1.637 -0.000 -2.243) 2.777 13.020 ( -7.907 0.000 1.209) 7.999 13.034 ( 6.081 -0.000 -0.376) 6.093 14.466 ( 4.006 -0.000 -0.249) 4.014 14.467 ( -3.081 0.000 -0.297) 3.096 14.612 ( -2.824 0.000 0.998) 2.995 14.621 ( 1.574 -0.000 0.084) 1.576 17.251 ( -3.084 0.000 3.388) 4.581 17.317 ( 3.327 -0.000 -3.603) 4.904 17.864 ( -2.809 0.000 2.231) 3.588 17.902 ( 3.256 -0.000 -1.813) 3.726 18.414 ( -0.858 0.000 0.273) 0.900 18.417 ( 1.034 -0.000 -0.015) 1.034 ======================= Grid point 209 (88/141) ======================= q-point: ( 0.10 0.00 0.40) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( 28.800 4.036 20.178) 35.396 1.654 ( 9.627 -26.978 -18.703) 34.210 1.720 ( 22.335 -29.710 21.734) 43.057 2.102 ( 44.210 -7.008 -16.508) 47.709 2.348 ( 13.005 -12.155 42.586) 46.157 2.989 ( 6.884 -1.808 -38.651) 39.301 3.191 ( -1.361 0.479 0.601) 1.563 3.344 ( 4.649 -10.546 2.971) 11.902 3.571 ( 5.687 -0.687 -2.742) 6.351 3.589 ( 5.186 -2.760 -2.806) 6.510 4.209 ( 4.563 0.150 8.344) 9.512 4.341 ( 6.526 -2.952 -5.135) 8.814 4.675 ( -2.094 1.570 9.049) 9.420 4.714 ( -5.256 1.698 -7.444) 9.270 4.858 ( -6.668 2.631 4.836) 8.647 5.024 ( -0.308 2.846 -6.290) 6.910 5.707 ( -6.375 4.191 6.844) 10.249 5.790 ( -8.278 0.128 -0.454) 8.292 5.889 ( -3.136 4.137 0.926) 5.273 5.931 ( 0.077 1.067 -3.051) 3.233 6.519 ( -1.441 0.232 -1.111) 1.834 6.599 ( 2.079 -0.194 -6.992) 7.297 6.719 ( -3.932 -0.611 -4.033) 5.666 6.771 ( 1.706 -0.351 5.984) 6.233 7.013 ( -2.592 1.217 5.192) 5.930 7.251 ( 2.685 2.823 -0.662) 3.952 7.757 ( -21.694 10.842 2.836) 24.418 7.843 ( -17.042 9.693 -0.254) 19.608 7.860 ( -20.096 1.998 1.902) 20.285 7.869 ( -13.322 8.115 -0.113) 15.599 8.067 ( -8.271 12.688 -0.757) 15.165 8.188 ( -7.028 7.081 0.163) 9.978 8.701 ( 2.738 -3.390 -0.189) 4.362 8.744 ( 1.689 0.859 -3.235) 3.749 8.795 ( -2.226 -2.453 -1.142) 3.503 8.807 ( -5.727 -8.150 1.358) 10.053 8.878 ( 2.550 -4.135 2.219) 5.341 8.931 ( 1.693 -6.137 0.481) 6.385 9.010 ( -0.025 -1.302 0.927) 1.598 9.177 ( 5.622 1.718 2.549) 6.408 9.232 ( -3.320 0.293 0.939) 3.463 9.454 ( 9.866 2.870 -0.686) 10.298 9.664 ( 5.480 2.303 -3.782) 7.045 9.757 ( 3.761 1.800 -4.411) 6.069 9.954 ( 16.339 -12.933 12.453) 24.275 10.366 ( 8.342 -3.561 -6.303) 11.045 11.162 ( 15.289 -18.636 -7.145) 25.141 11.268 ( 12.691 -4.774 7.305) 15.402 11.508 ( -6.543 -1.925 4.126) 7.971 11.593 ( -1.533 2.552 0.492) 3.017 11.717 ( 12.415 -5.488 2.401) 13.785 12.079 ( 35.984 -12.644 -15.970) 41.349 12.360 ( 4.191 -2.580 -4.145) 6.435 12.374 ( 3.672 -4.829 -1.131) 6.171 12.482 ( -5.406 0.037 0.629) 5.443 12.595 ( 5.615 2.477 2.042) 6.468 12.655 ( 2.163 4.280 -0.420) 4.814 12.747 ( -5.661 4.076 -3.323) 7.726 12.923 ( 4.877 -0.420 0.011) 4.895 12.941 ( 2.273 0.881 0.008) 2.438 13.085 ( 8.364 -6.748 -0.657) 10.766 13.220 ( 9.660 -7.339 -0.218) 12.134 14.424 ( -1.364 0.633 -1.421) 2.069 14.525 ( 2.356 1.484 1.686) 3.255 14.592 ( 0.759 -3.427 1.124) 3.686 14.664 ( 2.311 -2.418 -0.461) 3.377 17.199 ( -4.106 1.187 3.137) 5.302 17.329 ( -2.009 1.772 -4.594) 5.318 17.828 ( -0.126 -0.086 7.407) 7.409 17.984 ( 3.475 -2.753 -9.895) 10.843 18.425 ( 1.417 -1.566 0.067) 2.112 18.461 ( 2.407 -2.391 -0.350) 3.410 ======================= Grid point 210 (89/141) ======================= q-point: ( 0.20 0.00 0.40) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( 32.423 -2.811 13.051) 35.064 2.125 ( 15.207 -28.643 -12.413) 34.724 2.284 ( 11.527 -10.383 32.568) 36.075 2.727 ( 17.444 -3.453 -27.510) 32.757 3.105 ( 6.759 -0.500 1.196) 6.882 3.207 ( 34.089 -29.021 14.304) 46.999 3.348 ( 26.344 -11.867 -13.465) 31.877 3.561 ( 5.781 -12.980 -1.736) 14.315 3.699 ( 8.611 -5.288 -6.377) 11.949 3.762 ( 11.493 -5.731 0.353) 12.847 4.326 ( 7.114 3.061 5.515) 9.507 4.518 ( 6.735 -5.446 1.130) 8.735 4.571 ( -4.773 2.087 -7.016) 8.738 4.649 ( -5.152 1.705 6.380) 8.376 4.767 ( 1.719 0.900 6.161) 6.459 4.939 ( -1.441 4.182 -6.740) 8.062 5.510 ( -9.924 6.484 1.987) 12.020 5.602 ( -10.760 3.312 1.718) 11.388 5.810 ( -1.666 2.607 0.891) 3.220 5.957 ( 2.591 -2.332 -1.677) 3.868 6.480 ( -2.859 -0.143 -4.251) 5.125 6.566 ( -4.029 -1.092 -6.097) 7.389 6.674 ( -0.957 1.684 -2.017) 2.797 6.790 ( -0.725 1.701 5.920) 6.202 6.958 ( -6.221 2.484 1.002) 6.773 7.222 ( -9.924 6.965 1.474) 12.213 7.278 ( -15.944 5.421 2.122) 16.974 7.394 ( -11.484 10.216 -1.058) 15.407 7.478 ( -17.839 5.757 2.332) 18.889 7.505 ( -15.306 10.299 -0.492) 18.455 7.896 ( -2.134 5.180 0.680) 5.644 8.039 ( -3.484 3.443 -0.581) 4.933 8.692 ( -8.734 -3.582 0.523) 9.454 8.723 ( -2.705 -0.758 1.176) 3.045 8.747 ( -2.894 -3.347 -4.066) 6.009 8.834 ( 1.441 -1.004 -0.605) 1.858 8.927 ( -1.419 -0.965 -1.515) 2.289 9.000 ( -3.108 -0.821 1.304) 3.470 9.078 ( 4.076 -6.954 2.472) 8.431 9.189 ( 1.868 7.360 0.855) 7.642 9.254 ( 2.885 -0.040 2.737) 3.977 9.517 ( 0.059 3.376 0.548) 3.421 9.684 ( 2.119 -3.451 -7.868) 8.849 9.835 ( 5.403 3.598 1.557) 6.675 10.116 ( -3.023 -2.099 2.013) 4.195 10.299 ( -6.756 2.755 2.611) 7.750 11.264 ( -3.070 -1.459 -1.378) 3.668 11.462 ( 1.707 -7.143 -0.329) 7.352 11.479 ( 0.694 -2.785 2.665) 3.916 11.532 ( -0.422 3.634 0.329) 3.674 12.154 ( -6.808 2.379 2.254) 7.555 12.205 ( -10.993 0.586 1.547) 11.117 12.390 ( 19.551 -2.238 11.024) 22.556 12.503 ( -5.092 12.058 -3.540) 13.560 12.580 ( 6.405 -1.574 3.953) 7.689 12.639 ( 5.867 2.209 -4.362) 7.637 12.794 ( 5.794 -0.525 1.811) 6.093 12.847 ( 18.153 -1.149 -6.735) 19.396 13.010 ( 11.346 -6.678 -1.541) 13.255 13.122 ( 14.719 -0.138 -4.588) 15.418 13.277 ( 3.581 -8.273 -2.023) 9.239 13.530 ( 11.813 -15.051 -3.995) 19.545 14.387 ( -0.365 2.537 -2.533) 3.604 14.573 ( 3.918 -1.669 2.765) 5.078 14.732 ( 5.950 -7.743 4.621) 10.803 14.786 ( 10.236 -3.519 -4.056) 11.559 17.065 ( -9.281 5.465 5.076) 11.907 17.137 ( -12.327 5.657 -5.562) 14.659 17.898 ( 2.238 0.623 4.197) 4.797 18.023 ( 2.079 -3.940 -5.200) 6.848 18.508 ( 4.567 -4.709 -1.272) 6.682 18.551 ( 3.566 -5.016 0.156) 6.156 ======================= Grid point 211 (90/141) ======================= q-point: ( 0.30 0.00 -0.60) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.535 ( 28.450 -5.842 7.847) 30.085 2.645 ( 15.377 -16.138 5.241) 22.898 2.676 ( 12.598 -12.733 14.284) 22.910 2.863 ( 7.182 -5.574 -25.503) 27.075 3.134 ( 2.526 2.898 2.600) 4.641 3.651 ( 3.263 -7.698 -3.076) 8.909 3.714 ( 3.487 -6.339 -5.845) 9.301 3.869 ( 8.336 -4.231 2.677) 9.724 4.171 ( 9.573 -10.673 2.197) 14.504 4.230 ( 17.701 -9.355 -1.288) 20.062 4.392 ( 7.141 -5.999 2.331) 9.614 4.490 ( 0.706 1.206 -6.960) 7.099 4.676 ( 14.377 -6.172 4.918) 16.401 4.721 ( 11.746 0.144 -3.355) 12.217 4.808 ( 4.373 -1.483 5.674) 7.315 4.957 ( 4.905 -1.603 0.606) 5.195 5.274 ( -9.189 5.513 -0.227) 10.719 5.428 ( -3.694 -1.065 1.944) 4.308 5.767 ( -1.451 1.731 2.910) 3.684 6.038 ( 2.787 -3.335 -0.735) 4.407 6.344 ( -8.665 2.105 -8.058) 12.019 6.458 ( -9.188 1.649 -3.139) 9.848 6.571 ( -5.693 2.093 -1.111) 6.167 6.709 ( -7.287 5.118 2.921) 9.372 6.767 ( -6.143 3.534 2.261) 7.439 6.803 ( -16.890 7.524 3.306) 18.783 7.076 ( -4.996 1.543 -2.703) 5.887 7.107 ( -14.806 7.202 0.129) 16.465 7.241 ( -2.588 6.966 1.249) 7.535 7.397 ( 5.807 0.264 -0.332) 5.823 7.821 ( -2.511 3.190 1.182) 4.228 7.984 ( -0.577 0.596 0.452) 0.945 8.496 ( -15.982 -0.116 2.638) 16.199 8.663 ( -4.640 5.219 -0.921) 7.044 8.713 ( -1.925 -2.355 -3.526) 4.656 8.804 ( -4.946 -0.184 -0.103) 4.951 8.896 ( -0.737 3.315 -0.910) 3.516 8.930 ( -2.763 -1.037 -0.141) 2.955 9.118 ( 0.871 8.563 -0.099) 8.607 9.206 ( 1.571 -3.825 0.171) 4.139 9.297 ( 1.095 1.231 2.908) 3.342 9.471 ( -3.522 -3.812 1.832) 5.504 9.764 ( 2.968 -4.942 -1.698) 6.010 9.818 ( -1.467 5.370 -0.792) 5.623 10.113 ( 1.148 -3.520 0.024) 3.703 10.179 ( -4.821 0.133 1.400) 5.022 11.227 ( -4.663 -3.508 0.693) 5.876 11.489 ( -1.493 -1.018 0.283) 1.829 11.532 ( -3.259 -5.848 -0.792) 6.742 11.569 ( 2.345 -3.258 1.449) 4.267 11.941 ( -6.246 7.303 1.860) 9.788 12.045 ( -3.241 0.897 0.399) 3.387 12.240 ( -3.490 19.041 -2.534) 19.523 12.373 ( -4.436 10.950 4.307) 12.575 12.751 ( 7.430 4.161 -1.559) 8.658 12.780 ( 2.683 4.681 -1.959) 5.740 12.889 ( 8.901 -1.527 3.639) 9.737 12.985 ( 0.262 0.148 2.951) 2.966 13.299 ( 3.303 -8.127 -4.821) 10.010 13.341 ( 9.254 -3.566 -1.193) 9.989 13.425 ( 10.276 -4.992 -3.906) 12.074 13.828 ( 5.791 -11.227 0.247) 12.635 14.349 ( 1.277 4.073 -3.174) 5.320 14.713 ( 6.436 -3.892 2.090) 7.806 14.963 ( 11.113 -6.145 3.669) 13.218 15.090 ( 16.014 -9.038 -1.615) 18.459 16.769 ( -16.517 8.760 0.764) 18.712 16.793 ( -16.513 8.037 1.359) 18.415 17.909 ( 1.530 -1.400 -8.925) 9.163 18.087 ( 0.616 0.222 6.847) 6.878 18.657 ( 5.493 -6.720 -4.793) 9.915 18.690 ( 4.782 -5.655 4.310) 8.569 ======================= Grid point 212 (91/141) ======================= q-point: ( 0.40 0.00 -0.60) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.885 ( 3.502 3.348 14.010) 14.825 2.971 ( 5.285 -7.881 -19.154) 21.376 3.072 ( 18.922 -7.934 5.591) 21.266 3.135 ( 15.166 -15.164 -1.123) 21.476 3.207 ( 7.153 -0.328 3.904) 8.156 3.727 ( 1.832 -1.583 -4.993) 5.549 3.804 ( 0.970 -6.195 -3.500) 7.181 3.949 ( -1.199 0.789 2.311) 2.721 4.072 ( -7.723 3.131 3.672) 9.107 4.324 ( -5.690 0.312 -1.846) 5.990 4.451 ( 0.965 3.689 -4.275) 5.729 4.532 ( 1.883 -3.335 0.639) 3.883 4.703 ( -6.728 6.005 1.548) 9.150 4.956 ( 7.374 0.815 3.405) 8.163 5.071 ( -4.527 5.188 -0.618) 6.913 5.234 ( 16.807 -10.432 0.804) 19.798 5.315 ( 16.945 -9.042 -2.254) 19.338 5.553 ( 5.628 -9.355 2.366) 11.171 5.768 ( 3.286 -0.395 4.795) 5.826 6.078 ( -1.149 -1.563 3.297) 3.825 6.156 ( -7.854 0.515 -9.526) 12.357 6.306 ( -2.151 -4.786 0.671) 5.289 6.449 ( -6.725 8.765 -0.815) 11.077 6.483 ( -2.571 -0.122 -5.238) 5.836 6.639 ( -5.678 -0.104 3.139) 6.489 6.672 ( -1.382 4.472 8.290) 9.520 6.833 ( -8.358 0.992 -0.890) 8.464 7.027 ( 1.412 2.261 -5.837) 6.417 7.192 ( 0.974 3.724 0.721) 3.916 7.519 ( 8.230 -0.080 -3.130) 8.806 7.740 ( -4.455 3.194 2.659) 6.093 7.987 ( -0.036 -0.380 -0.932) 1.007 8.181 ( -16.113 1.283 6.920) 17.583 8.408 ( -11.675 11.747 -2.168) 16.703 8.691 ( -0.869 -0.181 -3.029) 3.156 8.745 ( -2.868 -2.822 -1.440) 4.274 8.826 ( -4.080 -1.253 1.468) 4.513 8.953 ( 5.000 3.071 -1.879) 6.161 9.064 ( 0.800 4.454 -0.246) 4.532 9.234 ( -0.983 -1.787 0.565) 2.116 9.267 ( -2.796 1.434 -0.409) 3.169 9.491 ( 0.223 -2.622 2.396) 3.559 9.697 ( -5.222 1.538 0.585) 5.475 9.909 ( 4.971 -3.992 3.910) 7.479 10.127 ( 0.733 0.532 -2.059) 2.250 10.227 ( 3.788 -6.396 -1.702) 7.626 11.123 ( -9.090 -0.564 0.127) 9.108 11.399 ( -14.362 -3.549 1.105) 14.835 11.487 ( 0.150 -0.034 1.440) 1.448 11.622 ( 1.455 0.005 -0.341) 1.494 11.865 ( 1.191 1.376 0.587) 1.912 12.025 ( -0.664 12.793 5.705) 14.023 12.125 ( 8.183 -0.817 -3.614) 8.983 12.236 ( 0.790 5.394 0.510) 5.475 12.669 ( -3.572 10.377 -1.095) 11.029 12.789 ( 1.203 5.371 0.944) 5.584 12.950 ( -2.768 -2.303 0.794) 3.687 13.027 ( 0.575 -3.208 6.138) 6.950 13.309 ( 2.141 0.340 -14.075) 14.241 13.524 ( 1.973 -5.245 5.008) 7.516 13.617 ( 9.227 -0.335 -8.082) 12.271 13.975 ( -0.292 -7.740 2.928) 8.281 14.334 ( 2.499 3.931 -2.724) 5.396 14.850 ( 3.300 -3.225 2.052) 5.050 15.286 ( 15.813 -6.998 4.359) 17.833 15.488 ( 17.455 -9.329 -0.956) 19.814 16.364 ( -16.917 10.349 1.348) 19.877 16.384 ( -19.928 7.699 0.452) 21.368 17.952 ( 3.741 -2.037 -5.694) 7.111 18.070 ( -2.832 1.893 3.806) 5.108 18.778 ( 2.518 -3.910 -2.018) 5.069 18.841 ( 4.623 -4.264 1.858) 6.558 ======================= Grid point 213 (92/141) ======================= q-point: (-0.50 0.00 0.40) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.832 ( -5.202 8.602 11.593) 15.345 3.073 ( 2.310 -8.401 -14.309) 16.753 3.294 ( 1.856 0.118 3.703) 4.144 3.371 ( 0.151 -3.707 0.287) 3.722 3.425 ( 3.807 1.324 -1.805) 4.417 3.725 ( -0.227 1.268 -2.127) 2.486 3.820 ( -3.410 3.246 1.733) 5.017 3.908 ( 0.859 -2.685 -0.803) 2.931 3.960 ( 0.390 0.578 0.365) 0.787 4.221 ( -1.656 -0.254 -0.884) 1.894 4.507 ( 2.363 0.248 -0.204) 2.385 4.515 ( -1.717 0.942 -0.240) 1.973 4.596 ( 1.493 -2.006 -0.982) 2.687 4.963 ( -4.358 -2.611 4.652) 6.888 5.068 ( 4.783 3.339 -3.533) 6.820 5.398 ( 1.202 0.265 1.702) 2.100 5.501 ( -0.472 0.468 -1.439) 1.585 5.635 ( -3.097 -0.384 5.404) 6.240 5.879 ( 0.446 -1.469 -1.074) 1.874 6.001 ( -1.297 4.472 -3.140) 5.616 6.123 ( 0.011 -2.775 4.415) 5.215 6.331 ( 0.743 1.111 1.124) 1.746 6.371 ( -3.028 -4.212 1.448) 5.386 6.490 ( -1.068 -7.513 -7.823) 10.899 6.557 ( 2.975 8.278 -1.949) 9.010 6.676 ( 4.588 4.721 3.705) 7.554 6.814 ( -2.399 -9.543 6.743) 11.928 6.992 ( 0.459 5.466 -9.504) 10.973 7.184 ( 1.128 1.476 -0.024) 1.858 7.551 ( -11.132 3.560 6.057) 13.163 7.675 ( 8.957 -1.487 -3.906) 9.884 8.020 ( 3.197 -1.928 0.979) 3.859 8.061 ( -5.465 -4.064 5.455) 8.726 8.160 ( 3.498 4.550 -4.133) 7.072 8.672 ( 0.383 1.291 -1.970) 2.386 8.732 ( -1.003 -1.929 -1.625) 2.714 8.797 ( -0.881 -0.939 1.452) 1.941 8.995 ( 0.248 0.427 -0.443) 0.663 9.049 ( 1.629 1.165 -1.732) 2.648 9.211 ( -0.849 0.376 -0.259) 0.964 9.238 ( 0.675 -0.042 0.168) 0.697 9.526 ( 0.814 -0.438 0.440) 1.023 9.623 ( -2.260 -0.672 2.478) 3.420 10.006 ( 0.602 -1.581 6.942) 7.145 10.137 ( 1.505 3.124 -6.067) 6.988 10.307 ( -1.632 -2.033 -1.034) 2.804 11.021 ( 1.509 1.059 -1.071) 2.133 11.256 ( -1.761 -2.198 1.791) 3.338 11.501 ( -0.103 -0.603 1.907) 2.002 11.621 ( -0.146 1.322 -0.702) 1.504 11.842 ( 0.531 4.112 0.135) 4.148 12.028 ( -0.795 -9.179 1.796) 9.387 12.192 ( 5.391 10.015 5.083) 12.458 12.289 ( -3.754 -4.811 -4.502) 7.583 12.506 ( -1.363 1.583 0.532) 2.156 12.757 ( 0.344 -0.500 1.679) 1.786 12.941 ( -2.098 -2.513 1.863) 3.767 13.057 ( -0.078 -0.125 4.322) 4.325 13.297 ( 3.061 3.364 -14.082) 14.798 13.557 ( -3.336 -1.875 4.146) 5.643 13.705 ( 4.670 2.681 -7.563) 9.284 14.017 ( -2.103 -4.082 2.130) 5.062 14.320 ( 0.057 3.039 -1.034) 3.211 14.899 ( -1.336 -1.579 2.276) 3.075 15.593 ( 2.139 -1.876 1.809) 3.372 15.808 ( 1.359 0.656 -0.109) 1.513 16.003 ( -1.796 6.872 3.145) 7.768 16.098 ( -0.268 -5.023 -1.362) 5.211 17.962 ( -4.990 3.665 4.297) 7.536 18.059 ( 4.504 -3.523 -5.234) 7.752 18.801 ( -1.349 1.423 1.611) 2.538 18.935 ( 2.095 -1.805 -2.480) 3.715 ======================= Grid point 214 (93/141) ======================= q-point: (-0.40 0.00 0.40) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.632 ( -10.358 10.383 16.311) 21.935 3.077 ( -11.192 -4.286 -8.063) 14.444 3.115 ( -16.273 17.276 0.047) 23.734 3.228 ( -6.340 0.546 -5.589) 8.469 3.309 ( -3.935 2.072 -7.603) 8.808 3.682 ( -2.280 3.030 -0.874) 3.891 3.717 ( -1.874 8.016 4.921) 9.591 3.977 ( 1.650 -0.615 -0.506) 1.833 4.115 ( 9.029 -4.553 -1.068) 10.168 4.276 ( 3.653 -5.640 3.343) 7.506 4.419 ( -1.358 3.005 -1.128) 3.485 4.572 ( -0.472 1.411 -3.245) 3.570 4.718 ( 3.496 -4.686 -0.351) 5.857 4.967 ( -5.709 -8.066 2.873) 10.291 5.071 ( 2.934 2.811 -0.929) 4.168 5.205 ( -19.014 11.405 2.560) 22.320 5.310 ( -14.211 8.230 -0.656) 16.435 5.576 ( -0.831 6.675 -0.018) 6.727 5.786 ( -5.528 1.021 4.362) 7.116 6.041 ( 5.343 -1.821 -0.130) 5.647 6.161 ( 1.335 0.504 -3.107) 3.419 6.321 ( 1.606 2.500 2.673) 3.997 6.416 ( -0.339 -0.006 -4.562) 4.574 6.440 ( 6.344 -5.496 1.049) 8.458 6.671 ( 9.486 -1.767 -1.087) 9.710 6.781 ( 9.389 -0.545 2.670) 9.776 6.876 ( -1.180 -3.920 -5.271) 6.674 6.932 ( 1.702 -1.522 -0.383) 2.315 7.189 ( -0.128 -0.190 0.541) 0.588 7.406 ( -7.367 -1.612 8.086) 11.057 7.787 ( 2.761 -0.434 -1.080) 2.996 7.974 ( 0.957 0.905 0.507) 1.412 8.296 ( 14.072 -4.420 -3.671) 15.200 8.371 ( 14.112 -9.285 0.496) 16.900 8.667 ( 1.354 1.422 -1.426) 2.427 8.740 ( 1.479 0.125 -0.535) 1.578 8.827 ( 2.809 -0.855 1.489) 3.292 8.944 ( -5.451 -2.706 -0.920) 6.155 9.077 ( 1.018 -1.885 -1.380) 2.548 9.232 ( 1.610 1.306 1.451) 2.531 9.263 ( 3.148 0.610 -0.915) 3.335 9.513 ( -1.444 0.431 -0.217) 1.523 9.671 ( 3.287 -3.421 3.522) 5.909 9.961 ( -4.937 7.168 -0.359) 8.711 10.118 ( 2.391 -0.635 -1.605) 2.949 10.207 ( -5.685 3.467 -0.031) 6.659 11.149 ( 11.182 1.015 -2.501) 11.504 11.384 ( 10.866 1.974 2.770) 11.386 11.494 ( -0.323 1.486 0.694) 1.671 11.610 ( -0.946 -1.712 0.715) 2.083 11.854 ( 1.908 -2.893 1.380) 3.730 12.058 ( -8.695 2.290 3.380) 9.606 12.140 ( -3.617 -8.323 -5.396) 10.558 12.224 ( 1.431 -7.475 1.638) 7.785 12.635 ( 3.160 -10.413 1.924) 11.051 12.802 ( -0.943 -3.602 -0.769) 3.802 12.942 ( -1.292 -3.585 4.022) 5.541 13.075 ( 2.478 3.221 4.588) 6.129 13.244 ( 0.588 5.212 -13.596) 14.572 13.488 ( -6.120 0.441 3.357) 6.994 13.672 ( -1.128 6.322 -7.033) 9.524 13.994 ( -3.491 1.876 1.713) 4.318 14.267 ( -3.683 -0.016 2.198) 4.289 14.850 ( -5.524 0.245 2.490) 6.064 15.350 ( -15.597 7.827 -1.518) 17.517 15.478 ( -16.103 10.456 -0.282) 19.202 16.363 ( 21.359 -8.499 1.456) 23.034 16.388 ( 16.681 -10.039 0.070) 19.469 17.818 ( -7.279 4.913 6.148) 10.720 18.174 ( 5.297 -3.609 -5.243) 8.281 18.722 ( -3.779 5.165 2.418) 6.841 18.929 ( -1.493 1.574 -5.654) 6.056 ======================= Grid point 215 (94/141) ======================= q-point: (-0.30 0.00 0.40) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.379 ( -13.039 9.753 25.068) 29.892 2.553 ( -21.519 23.905 4.619) 32.494 2.703 ( -24.282 1.569 -10.273) 26.413 3.142 ( -4.422 3.953 -23.122) 23.871 3.188 ( -2.585 -0.521 -2.673) 3.755 3.601 ( -2.351 10.250 4.145) 11.303 3.604 ( -2.561 3.705 2.872) 5.342 3.908 ( -10.070 4.376 -1.598) 11.095 4.142 ( -22.173 11.694 3.283) 25.282 4.248 ( -13.445 14.014 -1.835) 19.507 4.384 ( -4.417 1.477 2.848) 5.459 4.475 ( -2.817 2.164 -3.861) 5.246 4.540 ( -3.101 -6.391 9.819) 12.120 4.750 ( -13.524 1.688 -1.840) 13.753 4.927 ( -7.895 5.929 -2.102) 10.095 5.051 ( -1.654 -1.605 -9.637) 9.909 5.231 ( 10.412 -2.039 4.687) 11.599 5.470 ( 1.617 1.151 -2.383) 3.101 5.760 ( -0.651 -0.067 4.295) 4.345 6.053 ( -3.265 0.746 -2.831) 4.386 6.256 ( 8.082 -3.237 0.940) 8.757 6.454 ( 8.402 -0.335 -2.409) 8.747 6.523 ( 7.648 -3.088 3.338) 8.898 6.670 ( 11.434 -4.319 4.040) 12.873 6.862 ( 13.488 -5.805 -3.131) 15.014 6.896 ( 4.425 0.688 -7.975) 9.146 7.034 ( 11.236 -4.480 2.150) 12.286 7.102 ( 12.175 -9.017 0.114) 15.151 7.223 ( 1.633 -6.485 2.806) 7.252 7.335 ( -4.901 -1.878 5.756) 7.790 7.833 ( 1.850 -1.663 0.735) 2.594 7.990 ( 0.923 -0.034 -0.348) 0.987 8.570 ( 14.800 2.468 -3.998) 15.528 8.628 ( 5.329 -0.048 0.623) 5.366 8.704 ( 3.808 -0.991 -1.845) 4.346 8.801 ( 5.226 -1.366 0.403) 5.416 8.880 ( -4.572 -3.720 1.002) 5.979 8.929 ( 4.946 -3.784 -0.011) 6.228 9.123 ( 0.015 -6.252 -0.634) 6.284 9.201 ( -1.634 4.826 1.170) 5.228 9.320 ( 1.050 -2.382 0.196) 2.610 9.483 ( 0.345 3.232 0.565) 3.299 9.746 ( -4.861 2.953 0.222) 5.692 9.828 ( 3.275 -1.587 -1.828) 4.073 10.097 ( -1.445 2.356 1.328) 3.067 10.208 ( 5.149 -1.519 -1.026) 5.466 11.263 ( 5.034 5.320 -3.166) 7.979 11.458 ( 1.242 5.077 3.478) 6.278 11.494 ( 1.198 2.387 2.558) 3.698 11.595 ( -1.601 1.876 -0.671) 2.556 11.976 ( 3.544 -7.007 -1.907) 8.081 12.035 ( 9.608 -2.013 2.075) 10.034 12.188 ( -1.164 -15.624 2.034) 15.799 12.441 ( 6.455 -13.050 -1.898) 14.682 12.721 ( -5.224 -8.259 2.672) 10.131 12.744 ( -7.563 -1.575 -0.364) 7.734 12.966 ( -3.641 -3.565 -3.216) 6.026 13.074 ( -4.801 4.760 4.902) 8.351 13.141 ( -0.054 4.116 -7.168) 8.266 13.374 ( -5.010 1.748 -0.995) 5.399 13.465 ( -10.965 10.366 -3.874) 15.579 13.818 ( -8.970 11.740 1.288) 14.831 14.247 ( -2.521 -5.331 4.978) 7.717 14.731 ( -6.661 1.665 2.203) 7.211 15.000 ( -13.412 7.320 -1.187) 15.326 15.108 ( -12.211 10.721 -2.871) 16.501 16.733 ( 13.847 -7.701 2.463) 16.035 16.864 ( 19.274 -10.312 -3.737) 22.177 17.677 ( -3.801 5.839 11.329) 13.300 18.268 ( 3.228 -2.850 -8.115) 9.187 18.599 ( -3.964 5.573 1.798) 7.071 18.814 ( -5.031 4.954 -9.012) 11.448 ======================= Grid point 216 (95/141) ======================= q-point: (-0.20 0.00 0.40) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( -20.803 30.979 10.065) 38.650 2.138 ( -15.944 6.412 31.021) 35.463 2.185 ( -26.748 -0.013 -12.491) 29.521 2.831 ( -13.455 17.470 -24.648) 33.072 3.054 ( -46.418 15.234 8.570) 49.600 3.175 ( -4.021 3.227 2.382) 5.679 3.460 ( -14.355 11.025 -8.092) 19.827 3.522 ( -2.242 12.802 1.687) 13.106 3.638 ( -11.951 9.154 -3.352) 15.422 3.769 ( -12.291 5.824 -0.350) 13.605 4.332 ( -8.794 -1.046 3.584) 9.553 4.439 ( 3.465 -1.815 5.527) 6.771 4.596 ( -7.725 0.554 -5.116) 9.282 4.762 ( 8.086 -4.387 -3.137) 9.719 4.814 ( 1.284 -1.999 2.976) 3.808 4.954 ( -2.616 0.954 -11.558) 11.889 5.474 ( 11.616 -2.607 5.124) 12.961 5.626 ( 7.982 -6.703 0.623) 10.442 5.774 ( 1.324 0.169 3.316) 3.575 5.985 ( -2.497 -0.736 -3.759) 4.573 6.414 ( 5.417 -2.418 1.432) 6.103 6.532 ( 3.817 2.786 -0.816) 4.795 6.615 ( 0.363 -0.228 2.969) 3.000 6.911 ( 1.819 -1.781 -5.831) 6.363 6.955 ( 10.112 0.059 0.421) 10.121 7.206 ( -0.259 -4.728 3.627) 5.964 7.320 ( 21.982 -9.001 -2.100) 23.846 7.360 ( 13.173 -10.528 2.014) 16.983 7.482 ( 14.835 -10.248 1.587) 18.100 7.502 ( 17.002 -8.868 0.211) 19.177 7.893 ( 1.063 -4.388 1.147) 4.659 8.023 ( 2.841 -1.277 0.804) 3.216 8.671 ( 3.329 3.283 2.998) 5.554 8.714 ( 4.351 4.118 -1.928) 6.293 8.759 ( 7.480 6.014 -2.171) 9.840 8.848 ( -0.716 1.482 -2.012) 2.599 8.882 ( 1.849 -0.033 2.688) 3.263 9.033 ( -0.158 -3.687 -0.639) 3.745 9.095 ( -2.636 6.223 -0.003) 6.758 9.195 ( -2.372 -10.264 0.129) 10.536 9.316 ( -4.635 -2.961 -2.511) 6.046 9.486 ( 2.873 2.913 4.639) 6.186 9.594 ( -6.428 3.359 -0.615) 7.279 9.880 ( -3.604 -4.093 -2.944) 6.198 10.142 ( 6.615 -0.618 -0.279) 6.650 10.313 ( 3.573 -1.255 1.196) 3.972 11.239 ( -0.374 5.731 0.968) 5.824 11.437 ( 2.431 4.418 2.087) 5.457 11.505 ( 0.835 -1.411 0.912) 1.876 11.548 ( -1.351 -0.258 -1.965) 2.398 12.171 ( 10.163 -4.350 -0.350) 11.060 12.220 ( 4.664 0.315 0.387) 4.690 12.406 ( 5.014 -13.515 4.863) 15.213 12.547 ( -19.500 2.971 5.663) 20.522 12.584 ( -6.518 -0.878 2.612) 7.077 12.668 ( -4.392 0.717 -3.323) 5.554 12.744 ( -18.850 0.659 -5.877) 19.756 12.871 ( -5.238 -1.016 -8.666) 10.177 13.012 ( -11.144 9.589 -0.961) 14.733 13.120 ( -11.385 -1.526 -4.441) 12.315 13.288 ( -3.185 6.581 -3.764) 8.223 13.501 ( -9.136 14.962 -0.162) 17.531 14.303 ( 0.444 -5.412 4.253) 6.897 14.627 ( -3.108 1.658 1.524) 3.838 14.732 ( -8.654 5.898 -0.977) 10.518 14.816 ( -7.480 8.459 -4.142) 12.027 17.035 ( 10.706 -5.534 5.053) 13.068 17.173 ( 7.633 -4.903 -6.436) 11.123 17.696 ( 5.888 0.981 12.240) 13.617 18.264 ( -2.769 0.136 -15.233) 15.483 18.493 ( -2.977 3.636 0.912) 4.787 18.605 ( -7.185 7.070 -7.762) 12.722 ======================= Grid point 217 (96/141) ======================= q-point: (-0.10 0.00 0.40) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( -14.544 33.113 18.597) 40.667 1.683 ( -23.211 -2.803 -17.120) 28.977 1.735 ( -41.362 6.692 18.022) 45.611 2.110 ( -23.959 32.359 -18.021) 44.112 2.204 ( -23.596 6.919 43.593) 50.050 3.101 ( -0.470 1.027 -33.244) 33.263 3.202 ( 0.040 1.850 -1.586) 2.438 3.372 ( -3.308 8.620 -0.331) 9.239 3.534 ( -1.875 1.999 0.134) 2.744 3.553 ( -6.740 1.227 0.563) 6.874 4.208 ( -6.523 0.859 6.047) 8.937 4.384 ( -6.643 2.017 -7.007) 9.864 4.595 ( 6.168 -4.007 5.800) 9.367 4.845 ( 0.348 -0.282 -9.196) 9.207 4.912 ( 0.962 -3.607 5.905) 6.986 4.963 ( 5.946 -1.842 -6.908) 9.299 5.705 ( 9.136 -1.165 5.125) 10.540 5.770 ( 1.127 -3.757 8.058) 8.962 5.848 ( 4.904 -1.490 -4.334) 6.712 5.983 ( 1.574 -3.336 -3.314) 4.959 6.507 ( 2.377 -1.265 1.035) 2.885 6.550 ( 2.329 1.825 -2.984) 4.202 6.635 ( 1.806 0.494 4.434) 4.813 6.897 ( -1.139 0.607 -7.065) 7.182 7.070 ( 4.688 -0.556 -0.823) 4.792 7.201 ( -4.862 -5.630 4.916) 8.917 7.790 ( 21.430 -9.149 -0.274) 23.303 7.833 ( 17.232 -9.207 0.406) 19.541 7.863 ( 15.950 -6.007 0.522) 17.052 7.885 ( 15.057 -5.439 -0.583) 16.019 8.015 ( 5.783 -13.640 4.431) 15.463 8.159 ( 8.562 -4.684 3.096) 10.239 8.672 ( -1.579 2.602 2.870) 4.183 8.708 ( 0.469 6.242 0.115) 6.260 8.765 ( -0.276 0.755 -0.014) 0.803 8.830 ( 8.205 13.818 -0.023) 16.070 8.912 ( -3.183 -0.474 -0.213) 3.225 8.955 ( -0.122 1.939 -1.340) 2.360 9.035 ( -2.051 1.220 -2.128) 3.197 9.211 ( -10.120 -8.637 -0.178) 13.306 9.258 ( 1.241 -0.940 -1.488) 2.154 9.438 ( -7.261 2.996 1.037) 7.923 9.520 ( -3.381 -5.028 6.371) 8.792 9.785 ( -7.040 1.410 -4.063) 8.249 10.190 ( -21.908 13.850 7.910) 27.099 10.197 ( -4.573 4.506 -8.358) 10.540 11.066 ( -8.189 10.575 2.861) 13.678 11.451 ( -4.870 1.775 -8.828) 10.237 11.554 ( 1.472 -1.564 3.371) 3.997 11.581 ( 6.115 -1.858 -3.241) 7.166 11.831 ( -25.331 6.025 8.717) 27.458 11.955 ( -35.941 23.865 -23.958) 49.348 12.298 ( -0.603 1.222 1.958) 2.385 12.373 ( -5.581 4.999 -1.721) 7.687 12.519 ( 6.235 0.136 -2.664) 6.781 12.640 ( -3.757 -8.163 -2.428) 9.308 12.657 ( 4.226 -5.040 1.747) 6.805 12.725 ( -2.269 3.210 -3.531) 5.283 12.910 ( -0.005 -0.118 1.218) 1.224 12.969 ( -7.581 -2.102 -2.494) 8.253 13.084 ( -8.089 6.165 -0.928) 10.213 13.220 ( -8.828 8.527 0.011) 12.273 14.387 ( 2.659 -3.174 1.762) 4.500 14.555 ( -5.665 2.598 0.404) 6.246 14.601 ( 0.818 0.986 -0.952) 1.596 14.668 ( -1.891 3.836 -0.739) 4.340 17.236 ( 4.045 -2.786 5.085) 7.070 17.266 ( 3.704 -0.315 -3.920) 5.403 17.840 ( 3.568 -1.941 5.675) 6.978 18.028 ( -10.411 6.547 -14.624) 19.109 18.426 ( -1.297 1.666 0.074) 2.112 18.455 ( -2.646 2.482 -0.005) 3.628 ======================= Grid point 219 (97/141) ======================= q-point: ( 0.10 0.10 0.40) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( 22.544 -0.000 -16.074) 27.688 2.012 ( 29.397 -0.000 17.123) 34.020 2.046 ( 23.555 -0.000 25.929) 35.031 2.695 ( 20.440 -0.000 -28.863) 35.368 2.841 ( 39.407 -0.000 23.572) 45.919 3.173 ( 19.895 -0.000 -4.455) 20.387 3.235 ( 18.154 -0.000 -11.725) 21.611 3.359 ( 4.129 -0.000 0.274) 4.138 3.653 ( 6.820 -0.000 -6.369) 9.331 3.715 ( 9.530 -0.000 -0.242) 9.533 4.382 ( 9.600 -0.000 9.953) 13.828 4.434 ( 5.964 -0.000 -3.744) 7.042 4.596 ( -5.462 0.000 -7.266) 9.090 4.668 ( -4.580 0.000 9.086) 10.175 4.779 ( -0.449 0.000 5.360) 5.379 4.991 ( -2.495 0.000 -6.583) 7.040 5.593 ( -11.854 0.000 -4.292) 12.607 5.612 ( -10.509 0.000 7.080) 12.671 5.869 ( -2.270 0.000 7.083) 7.438 5.913 ( 0.914 -0.000 -7.432) 7.487 6.477 ( -2.622 0.000 -2.411) 3.562 6.550 ( -4.071 0.000 -7.433) 8.475 6.692 ( 0.412 -0.000 -2.935) 2.964 6.804 ( -0.368 0.000 5.027) 5.041 6.985 ( -4.068 0.000 1.044) 4.199 7.270 ( -2.976 0.000 1.297) 3.246 7.378 ( -25.223 0.000 3.304) 25.438 7.501 ( -19.901 0.000 2.483) 20.055 7.544 ( -20.830 0.000 1.226) 20.866 7.589 ( -17.469 0.000 -0.415) 17.474 7.978 ( -6.108 0.000 1.149) 6.215 8.081 ( -6.956 0.000 -1.712) 7.163 8.595 ( -4.743 0.000 -2.229) 5.240 8.670 ( -3.157 0.000 -3.945) 5.053 8.762 ( 1.192 -0.000 1.652) 2.037 8.800 ( 0.326 -0.000 -4.413) 4.425 8.916 ( 1.193 -0.000 3.640) 3.831 8.989 ( 5.776 -0.000 3.583) 6.797 9.012 ( 1.560 -0.000 0.245) 1.579 9.223 ( 2.391 -0.000 3.352) 4.117 9.365 ( 3.185 -0.000 2.683) 4.164 9.544 ( 2.261 -0.000 -2.583) 3.433 9.649 ( -4.049 0.000 -8.380) 9.307 9.819 ( 1.568 -0.000 2.712) 3.133 10.099 ( -0.686 0.000 2.971) 3.049 10.330 ( -7.394 0.000 2.094) 7.685 11.242 ( 2.523 -0.000 -5.125) 5.712 11.376 ( -4.142 0.000 1.594) 4.439 11.442 ( 0.987 -0.000 3.954) 4.075 11.581 ( -0.600 0.000 0.100) 0.608 12.204 ( 14.273 -0.000 9.302) 17.037 12.223 ( -9.388 0.000 -1.422) 9.495 12.304 ( 15.606 -0.000 6.230) 16.804 12.498 ( 0.914 -0.000 -1.024) 1.372 12.568 ( 11.666 -0.000 0.027) 11.666 12.764 ( 10.664 -0.000 1.424) 10.759 12.787 ( 3.022 -0.000 3.735) 4.804 12.924 ( 24.655 -0.000 -16.175) 29.487 12.941 ( 3.539 -0.000 -2.583) 4.381 13.167 ( 18.775 -0.000 0.074) 18.775 13.184 ( 9.423 -0.000 -5.675) 11.000 13.274 ( 2.846 -0.000 -0.977) 3.009 14.417 ( -0.021 0.000 3.157) 3.157 14.595 ( 2.804 -0.000 5.631) 6.291 14.620 ( 8.078 -0.000 -5.748) 9.914 14.745 ( 8.126 -0.000 -2.353) 8.460 17.118 ( -7.992 0.000 4.692) 9.268 17.193 ( -12.321 0.000 -5.628) 13.545 17.939 ( 7.563 -0.000 15.661) 17.392 17.953 ( 0.223 -0.000 -17.765) 17.767 18.450 ( 2.462 -0.000 -0.071) 2.463 18.490 ( 2.294 -0.000 -0.073) 2.295 ======================= Grid point 220 (98/141) ======================= q-point: ( 0.20 0.10 -0.60) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.229 ( 23.322 -12.911 -8.995) 28.134 2.484 ( 22.787 -0.290 20.038) 30.346 2.590 ( 23.191 -2.641 17.888) 29.407 2.800 ( 7.685 -1.115 -27.809) 28.873 3.217 ( 3.193 4.474 1.781) 5.778 3.467 ( 4.523 -7.506 -3.405) 9.401 3.633 ( 14.702 -1.345 -2.641) 14.997 3.723 ( 21.779 -9.578 3.626) 24.067 3.919 ( 14.490 -3.835 1.582) 15.072 4.065 ( 36.792 -6.185 -8.626) 38.292 4.390 ( -6.432 2.047 4.263) 7.984 4.493 ( 0.656 -0.609 -6.821) 6.880 4.607 ( 7.508 -1.285 9.104) 11.870 4.691 ( 6.992 -0.753 8.840) 11.296 4.882 ( 4.529 4.150 -2.609) 6.674 4.942 ( 4.473 -1.174 -2.224) 5.131 5.348 ( -11.818 1.624 -3.722) 12.497 5.420 ( -11.009 -0.146 3.758) 11.633 5.836 ( -0.589 4.582 4.088) 6.169 5.952 ( 1.617 -4.743 -2.299) 5.513 6.379 ( -7.975 1.279 -5.414) 9.724 6.443 ( -7.271 -1.569 -4.898) 8.906 6.620 ( -8.126 1.706 -0.519) 8.320 6.767 ( -7.788 -0.556 0.250) 7.812 6.817 ( -8.375 3.833 0.062) 9.210 6.965 ( -17.763 5.377 2.836) 18.775 7.080 ( -10.843 -0.422 -2.535) 11.143 7.159 ( -18.743 -1.096 4.342) 19.270 7.360 ( -5.434 3.469 1.366) 6.590 7.414 ( 3.456 0.681 1.723) 3.922 7.893 ( -2.799 3.068 2.144) 4.674 7.981 ( -3.535 -1.030 -1.218) 3.878 8.506 ( -5.760 1.432 -3.358) 6.819 8.624 ( -3.377 -5.183 -3.700) 7.208 8.745 ( -1.469 2.706 -1.547) 3.446 8.789 ( -2.181 -0.316 1.729) 2.801 8.927 ( -2.746 0.399 3.670) 4.601 9.017 ( 4.437 5.750 -1.870) 7.499 9.121 ( 3.671 -3.515 0.691) 5.129 9.242 ( -1.463 0.938 5.840) 6.093 9.366 ( 2.120 5.021 2.232) 5.889 9.480 ( -6.519 5.330 -2.882) 8.900 9.612 ( -0.163 -7.807 -4.556) 9.041 9.841 ( -2.533 -3.870 1.394) 4.831 10.022 ( -5.415 -2.020 -0.919) 5.852 10.201 ( -6.387 0.771 3.718) 7.431 11.187 ( -6.255 1.619 -0.897) 6.523 11.314 ( -7.383 -8.636 -0.656) 11.381 11.494 ( 1.397 -1.133 0.702) 1.931 11.565 ( -0.200 0.818 0.560) 1.011 12.054 ( -5.715 1.289 -0.882) 5.925 12.089 ( -5.173 5.476 1.889) 7.767 12.417 ( -7.207 -2.216 0.742) 7.577 12.592 ( -8.818 4.445 0.775) 9.905 12.763 ( 9.173 -0.275 0.674) 9.202 12.853 ( 13.977 9.102 4.669) 17.320 12.972 ( 10.505 2.335 -1.533) 10.870 13.062 ( 1.151 3.892 0.579) 4.099 13.116 ( 6.699 -4.456 2.169) 8.333 13.322 ( 10.309 -0.164 -2.480) 10.604 13.384 ( 14.931 0.388 -7.912) 16.902 13.595 ( 12.727 -10.244 -1.594) 16.415 14.441 ( 2.626 3.321 5.362) 6.832 14.684 ( 7.094 1.338 4.896) 8.723 14.846 ( 13.836 -4.932 -2.954) 14.982 14.938 ( 12.631 -4.666 -4.710) 14.265 16.892 ( -17.096 2.986 -1.899) 17.459 16.904 ( -16.922 2.779 4.768) 17.799 17.917 ( 4.522 1.406 -19.525) 20.091 18.124 ( 6.368 2.274 15.302) 16.729 18.520 ( 2.790 -4.691 -1.473) 5.653 18.557 ( 2.578 -5.576 1.844) 6.414 ======================= Grid point 221 (99/141) ======================= q-point: ( 0.30 0.10 -0.60) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.728 ( 16.461 -14.402 -6.336) 22.771 2.884 ( 10.361 -3.399 -13.634) 17.458 2.928 ( 13.603 -1.765 16.000) 21.075 3.034 ( 22.448 1.524 6.102) 23.312 3.253 ( 5.799 4.016 2.802) 7.590 3.607 ( 3.344 -8.091 -5.110) 10.137 3.716 ( 3.217 -2.265 -6.763) 7.824 3.970 ( 4.051 0.723 2.057) 4.601 4.096 ( -7.436 -1.832 3.054) 8.245 4.290 ( -2.218 -1.434 -1.991) 3.308 4.426 ( 4.004 -4.389 2.906) 6.614 4.580 ( -0.270 5.067 -4.284) 6.641 4.795 ( -7.598 2.912 3.017) 8.678 4.950 ( 3.576 -2.061 7.592) 8.641 5.007 ( 26.518 -8.788 -1.415) 27.972 5.096 ( 10.807 -4.886 -0.118) 11.861 5.191 ( 5.610 2.496 -4.561) 7.649 5.392 ( 3.712 -6.340 2.312) 7.702 5.800 ( 0.803 3.594 5.172) 6.349 6.020 ( 0.157 -4.391 0.215) 4.399 6.141 ( -13.052 -0.282 -5.729) 14.257 6.229 ( -14.860 -2.258 -1.681) 15.125 6.484 ( -4.015 -0.100 -1.134) 4.173 6.607 ( -9.380 2.548 0.754) 9.749 6.633 ( -3.429 3.322 -3.525) 5.935 6.763 ( -2.043 4.676 4.639) 6.896 6.881 ( -9.113 0.595 0.277) 9.137 7.027 ( -0.804 -1.994 -2.381) 3.208 7.295 ( 1.196 4.993 0.186) 5.138 7.522 ( 7.654 -0.131 0.216) 7.658 7.823 ( -1.046 4.104 1.674) 4.554 7.969 ( 0.172 -1.812 -0.448) 1.874 8.297 ( -11.556 8.716 -0.394) 14.480 8.618 ( -2.316 -5.269 -4.181) 7.114 8.643 ( -5.810 8.991 0.316) 10.710 8.725 ( -2.673 -0.048 0.738) 2.773 8.853 ( -2.066 3.698 2.812) 5.084 9.045 ( 4.639 5.223 -2.161) 7.312 9.150 ( -2.117 -0.588 0.606) 2.279 9.194 ( -1.797 2.228 -0.270) 2.875 9.311 ( -5.358 3.515 -1.920) 6.690 9.434 ( 3.568 -2.472 5.798) 7.243 9.659 ( -4.381 -5.921 1.486) 7.514 9.819 ( 0.801 -3.065 -3.673) 4.850 10.050 ( 0.535 -9.737 0.375) 9.759 10.134 ( -1.090 -0.547 2.394) 2.687 11.016 ( -13.323 -3.785 0.240) 13.852 11.211 ( -16.321 -10.520 0.310) 19.420 11.487 ( -0.851 0.469 -0.406) 1.053 11.588 ( 0.606 -2.488 0.754) 2.669 11.965 ( -1.759 7.146 1.881) 7.596 12.033 ( 1.641 -2.670 -2.011) 3.724 12.318 ( -10.324 1.382 1.906) 10.589 12.374 ( 0.117 5.017 0.136) 5.020 12.847 ( -2.942 8.407 0.612) 8.928 12.884 ( -4.577 0.352 4.009) 6.095 12.909 ( -0.608 6.966 -0.045) 6.992 13.088 ( 8.642 6.478 -1.351) 10.884 13.287 ( 5.470 -3.859 -2.064) 7.005 13.486 ( 8.283 2.019 -6.865) 10.946 13.621 ( 12.699 -0.233 -7.976) 14.998 13.825 ( 3.995 -7.060 4.653) 9.352 14.463 ( 4.538 7.908 3.865) 9.903 14.823 ( 6.629 0.647 5.248) 8.479 15.147 ( 13.604 -5.777 2.629) 15.011 15.272 ( 16.933 -10.940 -6.006) 21.035 16.504 ( -23.039 4.835 1.559) 23.592 16.542 ( -16.874 5.487 1.102) 17.778 17.963 ( 8.133 3.094 -12.204) 14.989 18.177 ( 1.718 7.818 8.405) 11.606 18.630 ( 2.454 -8.821 -3.404) 9.768 18.704 ( 3.008 -8.972 4.472) 10.466 ======================= Grid point 222 (100/141) ======================= q-point: ( 0.40 0.10 -0.60) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.935 ( 5.392 -4.669 -13.724) 15.467 3.043 ( 1.339 10.995 12.045) 16.364 3.182 ( 9.262 -11.170 -0.144) 14.511 3.311 ( 5.028 1.602 4.265) 6.785 3.453 ( 16.292 0.644 0.480) 16.312 3.694 ( -0.016 -4.363 -4.384) 6.185 3.795 ( 4.604 -3.370 -4.554) 7.300 3.938 ( -2.208 2.987 2.030) 4.233 4.015 ( -2.691 3.172 2.157) 4.686 4.228 ( -4.865 -0.055 0.083) 4.866 4.470 ( 0.232 -0.239 -2.892) 2.912 4.514 ( -0.954 -2.095 0.243) 2.315 4.601 ( -7.975 1.266 2.497) 8.453 4.883 ( -8.703 -3.961 3.102) 10.053 5.169 ( 3.744 4.458 -3.405) 6.744 5.355 ( 5.860 -4.231 0.816) 7.274 5.440 ( -0.135 -5.223 -0.859) 5.295 5.584 ( 9.142 -4.800 1.985) 10.514 5.833 ( 0.243 -1.171 4.604) 4.757 5.953 ( -7.836 -5.299 -3.482) 10.080 6.071 ( -0.771 -7.069 1.824) 7.341 6.101 ( -4.892 -8.122 0.745) 9.511 6.420 ( -4.514 6.129 1.589) 7.776 6.445 ( -0.959 0.155 -1.814) 2.057 6.642 ( 2.162 -2.708 -1.487) 3.770 6.753 ( 4.322 3.853 3.229) 6.629 6.817 ( 4.519 5.649 -1.739) 7.441 7.060 ( 3.104 -0.493 -3.379) 4.615 7.271 ( 2.458 6.314 -1.793) 7.009 7.671 ( 8.472 0.158 -3.162) 9.044 7.744 ( -4.493 13.098 1.320) 13.910 7.947 ( -1.651 0.391 0.482) 1.764 8.076 ( 0.349 1.651 4.127) 4.459 8.374 ( -6.883 14.318 -1.198) 15.931 8.621 ( -1.698 -4.466 -3.610) 5.988 8.724 ( 1.298 -0.386 1.004) 1.686 8.827 ( 2.356 3.929 2.815) 5.377 9.033 ( -1.562 2.813 -1.724) 3.651 9.088 ( -1.977 2.389 -2.476) 3.968 9.197 ( -0.292 -3.865 0.758) 3.949 9.206 ( -1.943 -0.479 -1.723) 2.641 9.526 ( 3.220 -0.044 3.456) 4.724 9.596 ( -4.908 -1.183 1.707) 5.329 9.935 ( 3.193 -5.727 2.593) 7.051 10.124 ( 2.143 -3.801 -4.160) 6.029 10.244 ( 4.515 -5.167 2.279) 7.230 10.844 ( -12.352 -12.857 -0.927) 17.853 11.008 ( -17.422 -14.285 1.788) 22.600 11.482 ( -0.281 -0.775 1.650) 1.844 11.614 ( -1.126 -2.451 -0.739) 2.797 11.896 ( 0.129 2.632 -0.440) 2.672 12.016 ( -5.566 1.150 2.217) 6.101 12.249 ( 2.504 -5.486 -0.078) 6.031 12.408 ( 6.307 8.221 -2.137) 10.579 12.616 ( -10.529 7.841 -2.788) 13.420 12.656 ( -13.448 -0.310 8.213) 15.760 12.939 ( 2.217 3.484 1.252) 4.315 13.154 ( 6.933 6.959 0.854) 9.860 13.377 ( 5.459 2.456 -7.660) 9.721 13.524 ( -0.109 0.110 -4.879) 4.882 13.771 ( 7.618 2.312 -4.715) 9.253 13.943 ( 2.062 -3.901 2.891) 5.275 14.459 ( 4.636 10.556 0.414) 11.537 14.910 ( 2.441 2.355 5.753) 6.678 15.452 ( 8.898 -9.089 3.290) 13.138 15.694 ( 18.046 -11.824 -3.434) 21.846 16.030 ( -23.694 3.208 -2.803) 24.074 16.227 ( -9.487 8.048 3.551) 12.937 18.051 ( 8.320 3.292 -6.168) 10.868 18.107 ( -1.144 9.528 4.779) 10.721 18.738 ( 0.291 -7.266 -1.674) 7.462 18.838 ( 1.026 -7.322 1.544) 7.553 ======================= Grid point 223 (101/141) ======================= q-point: (-0.50 0.10 0.40) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.902 ( -5.520 15.347 13.559) 21.210 2.995 ( -0.711 -2.768 -9.432) 9.855 3.230 ( -6.654 1.000 -1.151) 6.826 3.346 ( 0.179 1.526 -5.582) 5.790 3.470 ( -9.336 13.390 1.692) 16.411 3.694 ( -0.743 -1.350 -3.040) 3.408 3.874 ( 1.597 6.267 2.620) 6.978 3.939 ( 4.916 -2.374 0.832) 5.522 4.034 ( 8.382 -2.310 -1.466) 8.817 4.183 ( -0.990 -2.914 2.276) 3.828 4.466 ( -1.857 0.815 -1.178) 2.345 4.564 ( 1.830 -3.089 0.162) 3.594 4.596 ( 4.253 -6.003 -2.481) 7.764 4.810 ( -6.305 -6.842 4.654) 10.403 5.130 ( -1.876 2.955 -5.902) 6.862 5.359 ( -8.985 3.326 2.278) 9.848 5.393 ( -5.196 0.032 -2.353) 5.704 5.664 ( 0.924 0.438 5.613) 5.706 5.826 ( -6.981 1.806 0.018) 7.211 5.970 ( 3.603 -9.268 -1.623) 10.076 6.091 ( -1.010 -2.533 4.182) 4.992 6.166 ( -2.457 -13.917 2.211) 14.304 6.403 ( -1.693 1.379 -2.516) 3.332 6.424 ( 5.819 -0.203 3.545) 6.817 6.695 ( -1.215 -2.446 1.797) 3.269 6.759 ( 4.214 6.141 -6.068) 9.607 6.870 ( 6.010 3.596 2.633) 7.482 7.045 ( -0.205 8.490 -6.380) 10.622 7.243 ( 2.123 4.804 -2.754) 5.930 7.436 ( -9.631 7.539 4.548) 13.049 7.818 ( 6.508 1.662 -1.703) 6.929 7.994 ( -2.490 2.376 1.778) 3.874 8.184 ( 15.833 -2.181 0.458) 15.989 8.321 ( 12.398 1.136 -1.948) 12.601 8.626 ( -1.515 -3.876 -1.875) 4.564 8.760 ( 1.608 0.550 1.389) 2.195 8.853 ( 2.486 2.838 2.524) 4.539 8.940 ( -3.433 1.691 -2.239) 4.434 9.044 ( -1.018 -1.442 -2.443) 3.014 9.216 ( 1.348 -2.389 0.488) 2.786 9.271 ( 4.208 -1.024 -2.328) 4.917 9.539 ( -0.941 1.540 1.707) 2.484 9.590 ( 0.876 -2.836 3.201) 4.366 9.987 ( -4.156 -2.279 4.219) 6.346 10.150 ( 0.135 1.126 -7.445) 7.531 10.250 ( -5.567 1.786 3.721) 6.930 10.937 ( 3.074 -19.744 -3.492) 20.285 11.052 ( -1.135 -27.167 4.101) 27.499 11.495 ( -0.034 -0.726 2.594) 2.694 11.581 ( -3.563 -1.048 -2.031) 4.233 11.932 ( 5.783 0.803 -3.362) 6.738 11.961 ( -0.918 -1.961 5.220) 5.651 12.209 ( -9.303 12.426 -2.866) 15.785 12.317 ( -10.908 0.492 1.783) 11.063 12.426 ( 5.063 1.542 2.746) 5.962 12.634 ( -2.629 -12.828 0.596) 13.108 12.924 ( -0.101 3.469 2.289) 4.157 13.208 ( 6.679 7.268 2.691) 10.231 13.373 ( 3.498 7.863 -13.412) 15.936 13.476 ( -5.110 -2.120 0.540) 5.559 13.812 ( 2.303 5.560 -1.690) 6.251 14.006 ( 1.295 -0.763 3.926) 4.204 14.398 ( 1.840 12.355 -3.999) 13.115 14.895 ( -2.546 3.799 6.266) 7.757 15.467 ( -14.117 2.678 -2.989) 14.676 15.624 ( -15.129 3.290 0.992) 15.515 16.139 ( 16.142 -13.766 -2.472) 21.358 16.220 ( 12.147 -3.939 3.631) 13.276 17.981 ( -2.515 10.601 5.570) 12.237 18.156 ( 7.940 1.760 -5.392) 9.758 18.759 ( -3.254 -2.058 1.061) 3.993 18.890 ( -2.108 -4.824 -2.754) 5.941 ======================= Grid point 224 (102/141) ======================= q-point: (-0.40 0.10 0.40) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.640 ( -11.061 15.728 19.272) 27.224 2.779 ( -17.390 6.265 -6.985) 19.760 3.043 ( -15.016 21.093 5.905) 26.557 3.173 ( 1.665 0.656 -9.913) 10.073 3.238 ( -4.117 4.494 -13.580) 14.885 3.659 ( -1.991 1.419 0.682) 2.538 3.817 ( -0.140 9.541 4.506) 10.553 4.002 ( -0.620 3.701 -1.464) 4.028 4.218 ( 6.495 -2.319 -1.726) 7.109 4.263 ( 0.877 -7.634 6.377) 9.985 4.415 ( -3.227 1.854 -0.671) 3.782 4.542 ( -2.817 1.190 -2.195) 3.765 4.625 ( -11.456 7.958 1.983) 14.089 4.800 ( -5.604 -2.388 -1.146) 6.198 5.036 ( -5.272 0.760 2.097) 5.724 5.076 ( -9.053 7.925 -2.079) 12.210 5.238 ( -2.017 5.630 -0.734) 6.026 5.553 ( -8.244 7.485 -3.219) 11.591 5.747 ( 0.173 -2.154 1.960) 2.917 6.054 ( -4.104 -0.804 2.929) 5.106 6.196 ( 6.690 -4.901 3.021) 8.826 6.362 ( 8.167 -8.105 -4.314) 12.288 6.440 ( 8.212 -8.749 3.779) 12.580 6.521 ( 5.567 -2.973 1.347) 6.453 6.776 ( 4.414 -11.850 1.131) 12.696 6.836 ( 4.323 -0.562 -4.241) 6.082 6.951 ( 6.269 0.812 -2.162) 6.681 6.957 ( 2.878 0.578 -1.921) 3.508 7.208 ( 0.150 4.048 -2.554) 4.788 7.302 ( -5.251 -1.018 6.220) 8.203 7.848 ( 1.976 2.997 -1.517) 3.897 7.962 ( -1.310 -2.130 0.189) 2.507 8.537 ( 16.125 -4.494 -0.043) 16.740 8.596 ( 10.506 -3.211 -0.460) 10.995 8.656 ( 5.640 -1.607 -1.607) 6.081 8.759 ( -2.283 -2.028 0.675) 3.127 8.849 ( -0.921 -1.444 1.800) 2.484 8.924 ( 3.228 2.410 -0.789) 4.105 9.065 ( 1.905 -1.200 -2.328) 3.239 9.269 ( 0.930 -2.437 0.476) 2.652 9.309 ( 2.410 5.195 -1.748) 5.988 9.548 ( 3.101 1.864 3.766) 5.223 9.650 ( -0.313 -6.005 0.305) 6.021 9.836 ( -13.501 -1.954 -0.014) 13.641 10.107 ( -3.087 0.228 0.220) 3.103 10.195 ( 2.248 -0.280 -0.595) 2.342 11.217 ( 6.628 -12.461 -3.342) 14.505 11.384 ( 2.103 -22.700 3.961) 23.138 11.495 ( -0.401 0.987 -0.724) 1.288 11.554 ( -0.720 -3.707 2.029) 4.286 11.919 ( -4.738 8.999 -1.909) 10.348 11.996 ( 1.115 -0.450 3.837) 4.021 12.067 ( 9.200 -0.166 -2.499) 9.534 12.230 ( 2.249 -4.868 1.495) 5.567 12.535 ( 0.721 -7.116 3.186) 7.830 12.683 ( -4.831 -7.652 -2.213) 9.316 12.897 ( -1.141 0.922 2.476) 2.878 13.227 ( -0.734 7.732 1.118) 7.847 13.267 ( 0.891 8.718 -10.407) 13.605 13.396 ( -4.631 0.034 0.105) 4.632 13.706 ( -5.193 10.774 -0.212) 11.961 14.028 ( 0.140 5.425 8.137) 9.780 14.247 ( -2.916 8.451 -7.424) 11.621 14.798 ( -4.901 4.594 7.093) 9.769 15.130 ( -13.945 5.334 -5.530) 15.922 15.324 ( -11.751 9.589 0.694) 15.183 16.526 ( 13.372 -12.177 0.671) 18.098 16.610 ( 15.862 -13.737 -0.446) 20.988 17.850 ( -1.883 10.776 9.674) 14.603 18.253 ( 6.482 0.972 -8.423) 10.673 18.685 ( -4.985 1.988 1.773) 5.652 18.841 ( -5.667 -1.786 -5.715) 8.244 ======================= Grid point 225 (103/141) ======================= q-point: (-0.30 0.10 0.40) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.309 ( -19.147 12.424 -8.961) 24.520 2.333 ( -14.116 13.429 22.788) 29.982 2.549 ( -15.522 26.235 11.939) 32.737 3.040 ( -3.789 6.035 -26.986) 27.911 3.189 ( 2.426 2.958 -5.081) 6.360 3.575 ( -18.111 18.505 1.672) 25.947 3.633 ( -5.833 10.427 4.083) 12.626 3.751 ( -6.558 10.549 4.160) 13.100 3.994 ( -12.915 19.115 2.570) 23.211 4.145 ( -20.901 29.546 -3.490) 36.360 4.313 ( -8.069 0.088 2.397) 8.418 4.401 ( 2.619 -1.511 5.212) 6.025 4.502 ( 0.475 -7.560 4.177) 8.650 4.700 ( 5.187 -1.759 -6.179) 8.257 4.861 ( -5.612 6.269 -1.961) 8.640 4.972 ( -3.536 1.015 -9.621) 10.300 5.366 ( 9.038 -7.908 0.982) 12.049 5.482 ( 2.108 -5.719 0.936) 6.166 5.772 ( 1.067 -0.490 1.315) 1.763 5.971 ( -5.371 -0.750 1.343) 5.587 6.362 ( 6.206 -2.535 3.958) 7.785 6.556 ( 5.237 -1.722 -0.698) 5.557 6.590 ( 3.060 -3.029 0.214) 4.311 6.847 ( 6.706 -2.532 -2.570) 7.615 6.909 ( 11.518 -12.075 -2.516) 16.876 7.028 ( 7.978 -8.581 -2.176) 11.917 7.123 ( 9.028 -14.938 0.972) 17.482 7.166 ( 7.475 -13.578 2.405) 15.685 7.187 ( 2.476 -2.345 0.184) 3.415 7.303 ( 2.729 -6.139 1.572) 6.900 7.856 ( 1.166 -0.106 -0.726) 1.377 7.971 ( -0.621 -3.525 -0.566) 3.623 8.680 ( 0.986 -3.904 2.725) 4.862 8.704 ( -1.163 -1.694 -1.862) 2.773 8.777 ( 4.468 -2.541 -0.654) 5.182 8.887 ( 5.707 -2.330 2.410) 6.619 8.910 ( 4.130 -2.712 2.779) 5.669 8.943 ( 2.889 2.329 -3.121) 4.848 9.085 ( -1.575 -2.205 -2.605) 3.758 9.241 ( -2.422 3.668 -0.282) 4.405 9.313 ( 4.425 5.638 2.242) 7.510 9.598 ( -12.299 -2.243 -0.117) 12.502 9.607 ( 5.897 6.592 3.204) 9.408 9.700 ( -5.736 -11.062 -3.927) 13.064 10.110 ( 2.359 -2.432 1.684) 3.784 10.271 ( 3.835 -2.510 -0.947) 4.680 11.329 ( 3.200 1.739 -2.664) 4.513 11.470 ( -2.182 -2.941 1.078) 3.818 11.511 ( 0.481 1.121 2.889) 3.136 11.561 ( -2.802 0.249 0.934) 2.965 11.951 ( 5.301 -13.234 -0.205) 14.258 12.161 ( 8.047 -9.693 2.110) 12.773 12.263 ( 11.816 0.324 -0.284) 11.823 12.394 ( 7.174 -5.228 -0.567) 8.895 12.606 ( -5.632 -0.805 3.073) 6.466 12.624 ( 0.315 -2.794 0.900) 2.952 12.858 ( -2.546 0.876 -2.910) 3.965 12.979 ( -14.566 10.600 0.026) 18.015 13.125 ( -5.305 9.630 -5.474) 12.282 13.287 ( -9.628 7.260 -4.927) 13.026 13.445 ( -5.447 11.475 2.835) 13.015 13.828 ( -9.397 16.203 -0.367) 18.735 14.213 ( 2.028 -2.932 1.664) 3.934 14.696 ( -3.697 4.532 7.927) 9.851 14.855 ( -7.625 6.526 -7.304) 12.413 15.030 ( -8.311 11.638 -1.957) 14.434 16.864 ( 9.890 -11.062 4.039) 15.378 16.987 ( 10.776 -13.094 -4.917) 17.656 17.779 ( 0.770 7.268 13.319) 15.193 18.291 ( 2.685 1.947 -14.176) 14.559 18.575 ( -4.188 3.565 1.475) 5.695 18.697 ( -7.760 1.754 -6.854) 10.501 ======================= Grid point 226 (104/141) ======================= q-point: (-0.20 0.10 0.40) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( -9.154 17.551 -17.409) 26.361 2.002 ( -23.003 24.754 16.641) 37.667 2.032 ( -13.124 17.327 28.442) 35.797 2.675 ( -19.191 40.618 14.425) 47.182 2.771 ( -10.657 22.056 -23.561) 33.988 3.257 ( 4.972 8.819 -0.562) 10.140 3.356 ( -12.747 25.933 -17.280) 33.669 3.560 ( -7.822 3.876 0.771) 8.764 3.621 ( -2.661 7.160 3.826) 8.543 3.662 ( -5.014 13.351 0.756) 14.281 4.246 ( -1.665 2.821 2.438) 4.083 4.448 ( -7.046 2.939 -3.556) 8.422 4.511 ( 2.932 -3.147 7.308) 8.479 4.800 ( -0.202 -4.526 5.234) 6.922 4.820 ( 3.086 -3.007 -8.461) 9.494 4.910 ( 1.817 -2.458 -9.465) 9.947 5.620 ( 5.411 -8.842 4.154) 11.167 5.625 ( 4.895 -8.693 1.098) 10.037 5.813 ( 1.976 -1.291 -0.102) 2.363 5.913 ( -2.710 -2.507 0.553) 3.733 6.472 ( 2.479 -1.880 2.704) 4.122 6.593 ( 0.983 1.813 -4.379) 4.841 6.653 ( 3.234 0.393 4.152) 5.277 6.893 ( 0.532 -1.702 -7.165) 7.384 7.063 ( 1.086 -0.981 -0.510) 1.549 7.085 ( -4.266 -3.461 3.510) 6.519 7.502 ( 14.563 -17.390 0.164) 22.683 7.517 ( 8.123 -21.162 1.591) 22.723 7.548 ( 11.986 -18.682 -1.938) 22.281 7.582 ( 11.315 -19.828 0.781) 22.842 7.899 ( 3.457 -2.288 0.473) 4.172 8.028 ( 1.356 -6.608 0.559) 6.769 8.699 ( -0.157 -0.448 0.597) 0.763 8.752 ( 1.569 -1.755 2.874) 3.715 8.818 ( 0.726 2.490 -2.039) 3.299 8.890 ( -4.025 -1.363 0.195) 4.254 8.917 ( -6.933 -6.471 4.173) 10.361 8.998 ( -0.237 1.827 -3.180) 3.675 9.042 ( -2.356 0.622 -0.470) 2.482 9.159 ( -4.206 3.564 -0.759) 5.565 9.320 ( -0.871 -0.493 4.431) 4.542 9.467 ( 1.859 4.896 0.744) 5.289 9.623 ( 2.877 9.614 5.626) 11.505 9.696 ( -1.869 -5.886 -9.830) 11.609 10.216 ( 4.301 -3.023 -0.030) 5.257 10.333 ( -1.258 -0.810 1.333) 2.004 11.346 ( 3.511 8.972 3.647) 10.302 11.482 ( 0.175 -1.496 0.920) 1.765 11.519 ( 1.788 0.431 0.714) 1.973 11.521 ( -0.598 -0.196 -2.444) 2.524 12.127 ( -8.363 6.976 8.417) 13.764 12.266 ( -4.586 6.534 7.925) 11.248 12.383 ( -1.684 -9.494 -3.639) 10.306 12.428 ( -4.538 6.860 1.272) 8.323 12.537 ( 3.102 -1.253 -0.354) 3.364 12.595 ( -1.168 2.926 -2.088) 3.780 12.668 ( 1.036 19.240 -17.886) 26.289 12.801 ( -0.992 5.567 -3.935) 6.889 12.937 ( -4.548 1.940 -4.025) 6.376 12.966 ( -0.533 6.387 -0.473) 6.427 13.253 ( -9.491 9.188 -1.260) 13.269 13.463 ( -12.841 13.679 -2.160) 18.885 14.311 ( 3.959 -3.257 2.815) 5.848 14.602 ( -6.608 1.696 2.810) 7.378 14.689 ( 0.034 7.848 -3.396) 8.552 14.806 ( -3.131 9.346 -2.494) 10.167 17.117 ( 4.697 -8.887 5.828) 11.620 17.213 ( 5.502 -6.420 -5.614) 10.149 17.805 ( 1.018 0.098 11.241) 11.287 18.187 ( -3.492 6.787 -20.523) 21.896 18.484 ( -2.089 3.461 0.975) 4.158 18.531 ( -4.347 3.941 -2.265) 6.289 ======================= Grid point 227 (105/141) ======================= q-point: (-0.10 0.10 0.40) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( -23.737 24.405 20.009) 39.489 1.646 ( 18.195 21.367 -13.539) 31.160 1.760 ( 8.587 33.739 16.953) 38.723 2.120 ( -11.108 40.922 -16.918) 45.653 2.277 ( -0.173 22.485 41.266) 46.994 3.050 ( 3.672 5.295 -38.048) 38.590 3.296 ( -3.847 6.457 2.736) 7.998 3.342 ( 2.593 7.699 -1.496) 8.261 3.540 ( -0.002 4.166 1.905) 4.581 3.580 ( 2.220 5.938 -1.712) 6.566 4.189 ( -1.872 4.010 6.857) 8.161 4.319 ( 0.427 2.803 -6.703) 7.278 4.629 ( 1.195 -4.988 8.380) 9.825 4.788 ( -2.673 -2.116 -8.451) 9.112 4.876 ( -1.724 -4.939 4.628) 6.985 4.987 ( 2.506 -4.386 -6.774) 8.450 5.713 ( -3.019 -7.137 7.313) 10.655 5.828 ( 5.089 -5.009 -1.453) 7.287 5.860 ( -0.350 -4.948 1.121) 5.085 5.910 ( -2.291 -3.545 -1.450) 4.463 6.520 ( 0.593 -1.360 0.350) 1.525 6.579 ( 1.565 0.718 -5.153) 5.433 6.717 ( 2.940 1.403 5.941) 6.775 6.839 ( -4.033 1.483 -6.935) 8.158 7.041 ( -5.621 -4.187 6.638) 9.654 7.139 ( 5.272 -3.419 -3.819) 7.353 7.794 ( -3.017 -19.216 2.492) 19.610 7.832 ( 1.201 -18.316 -1.375) 18.406 7.897 ( -0.082 -19.908 1.060) 19.936 7.914 ( 1.705 -18.844 -0.821) 18.939 8.079 ( 2.810 -10.132 3.740) 11.160 8.119 ( -2.710 -11.178 -0.331) 11.507 8.693 ( 1.109 3.767 2.420) 4.612 8.739 ( -0.867 4.262 -2.135) 4.845 8.781 ( 1.805 0.031 2.827) 3.354 8.826 ( -2.285 1.113 -0.420) 2.576 8.923 ( -4.613 1.207 1.517) 5.004 8.957 ( 5.499 0.146 -0.326) 5.511 8.994 ( 0.498 -0.168 0.325) 0.618 9.037 ( -1.684 -4.151 -3.075) 5.433 9.433 ( 7.468 -2.195 4.924) 9.211 9.467 ( 0.377 8.185 -0.831) 8.236 9.498 ( -8.397 8.519 7.215) 13.969 9.700 ( 5.016 3.490 -11.608) 13.118 10.100 ( -11.627 23.582 10.357) 28.259 10.287 ( 7.568 8.595 -8.029) 13.986 11.202 ( 1.919 22.320 9.264) 24.242 11.421 ( -3.435 19.661 -12.726) 23.671 11.531 ( -0.533 -5.958 3.868) 7.123 11.584 ( 0.249 -5.620 -1.188) 5.749 11.734 ( -4.617 15.881 5.393) 17.395 11.953 ( 6.391 37.931 -21.381) 44.009 12.331 ( 2.104 1.244 2.799) 3.716 12.387 ( 0.381 6.449 -2.201) 6.825 12.482 ( 0.272 -5.850 0.288) 5.863 12.544 ( -1.406 0.649 -5.356) 5.575 12.698 ( -0.286 -2.365 0.664) 2.473 12.733 ( 0.229 -3.202 -2.407) 4.012 12.958 ( -8.950 7.030 1.848) 11.530 12.984 ( 8.149 3.274 -0.361) 8.789 13.081 ( 11.339 5.084 0.161) 12.428 13.104 ( -10.790 9.213 -2.153) 14.351 14.426 ( 4.215 -2.219 2.463) 5.363 14.480 ( -3.782 0.402 -3.108) 4.911 14.637 ( -1.025 3.857 3.757) 5.481 14.696 ( 0.009 6.142 -2.456) 6.615 17.225 ( -1.982 -4.012 4.373) 6.257 17.307 ( 2.728 -2.011 -4.402) 5.555 17.838 ( -2.253 -1.854 6.676) 7.286 18.003 ( 1.534 8.351 -12.467) 15.083 18.435 ( -0.714 2.321 1.388) 2.797 18.461 ( 0.886 3.397 -1.268) 3.733 ======================= Grid point 230 (106/141) ======================= q-point: ( 0.20 0.20 -0.60) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.560 ( 21.772 -0.000 -5.203) 22.385 2.853 ( 8.241 -0.000 -20.723) 22.302 2.900 ( 19.450 -0.000 19.160) 27.302 3.064 ( 22.115 -0.000 9.445) 24.048 3.324 ( 5.045 -0.000 4.312) 6.636 3.491 ( 4.830 -0.000 -7.342) 8.788 3.701 ( 2.112 -0.000 -6.424) 6.762 3.968 ( 7.365 -0.000 2.977) 7.944 4.051 ( -2.958 0.000 -0.731) 3.047 4.282 ( -2.233 0.000 -2.611) 3.435 4.379 ( 3.763 -0.000 5.067) 6.312 4.635 ( 1.164 -0.000 -1.855) 2.190 4.819 ( 0.020 -0.000 4.989) 4.989 4.905 ( 6.850 -0.000 10.934) 12.902 4.932 ( 21.230 -0.000 -7.736) 22.595 5.053 ( 3.431 -0.000 -0.618) 3.486 5.238 ( 6.142 -0.000 -3.252) 6.950 5.309 ( 1.233 -0.000 1.477) 1.924 5.884 ( -1.428 0.000 9.553) 9.659 5.929 ( 2.824 -0.000 -5.434) 6.124 6.141 ( -16.948 0.000 -3.533) 17.312 6.206 ( -16.630 0.000 -2.796) 16.863 6.482 ( -5.357 0.000 1.086) 5.466 6.606 ( -4.668 0.000 -4.980) 6.826 6.706 ( -7.149 0.000 -0.232) 7.153 6.847 ( -1.009 0.000 1.298) 1.644 6.852 ( -10.050 0.000 2.062) 10.259 6.990 ( -2.232 0.000 -1.087) 2.483 7.355 ( 1.047 -0.000 -0.262) 1.079 7.513 ( 6.712 -0.000 2.245) 7.077 7.901 ( 0.729 -0.000 2.180) 2.299 7.914 ( -1.169 0.000 -1.013) 1.547 8.444 ( -3.830 0.000 -6.636) 7.662 8.514 ( -3.859 0.000 -1.038) 3.997 8.701 ( -2.702 0.000 -1.441) 3.063 8.777 ( -1.798 0.000 1.930) 2.638 8.893 ( -2.286 0.000 4.759) 5.280 9.090 ( -4.667 0.000 0.118) 4.668 9.135 ( 4.637 -0.000 -3.237) 5.655 9.281 ( 2.963 -0.000 6.292) 6.955 9.348 ( -6.210 0.000 2.703) 6.773 9.389 ( -5.817 0.000 -3.737) 6.914 9.605 ( 4.587 -0.000 -0.975) 4.690 9.757 ( -3.046 0.000 -0.398) 3.072 9.915 ( -3.193 0.000 -0.706) 3.271 10.131 ( -2.966 0.000 3.750) 4.781 11.036 ( -15.002 0.000 -0.254) 15.004 11.043 ( -14.330 0.000 0.491) 14.339 11.507 ( 0.456 -0.000 -1.314) 1.391 11.544 ( -1.815 0.000 0.630) 1.921 12.002 ( -0.470 0.000 -1.240) 1.326 12.096 ( 0.060 -0.000 0.050) 0.078 12.242 ( -9.029 0.000 3.349) 9.630 12.395 ( -13.959 0.000 0.720) 13.977 12.922 ( 7.440 -0.000 1.063) 7.515 12.955 ( -4.611 0.000 0.687) 4.662 13.046 ( -6.240 0.000 -0.252) 6.245 13.180 ( 10.543 -0.000 -4.886) 11.620 13.184 ( 4.965 -0.000 3.506) 6.078 13.551 ( 12.664 -0.000 -6.436) 14.206 13.597 ( 12.784 -0.000 -12.872) 18.142 13.729 ( 5.294 -0.000 8.364) 9.898 14.570 ( 6.155 -0.000 10.812) 12.441 14.854 ( 7.113 -0.000 12.255) 14.170 15.085 ( 17.872 -0.000 -13.221) 22.230 15.116 ( 11.678 -0.000 -2.640) 11.973 16.556 ( -24.299 0.000 2.108) 24.390 16.598 ( -16.295 0.000 0.998) 16.326 18.020 ( 11.490 -0.000 -16.369) 19.999 18.310 ( 5.954 -0.000 12.723) 14.047 18.526 ( 1.132 -0.000 -0.544) 1.256 18.541 ( 0.128 -0.000 1.106) 1.114 ======================= Grid point 231 (107/141) ======================= q-point: ( 0.30 0.20 -0.60) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.881 ( 11.428 -0.710 -6.778) 13.306 2.986 ( 10.608 -6.218 -8.049) 14.696 3.240 ( 11.572 6.231 12.930) 18.437 3.348 ( 8.194 1.541 3.498) 9.042 3.482 ( 14.006 2.602 4.341) 14.892 3.582 ( 3.811 -5.462 -4.757) 8.184 3.728 ( 3.229 -2.283 -6.747) 7.821 3.968 ( -2.931 -0.343 0.677) 3.027 4.055 ( 2.012 0.801 2.453) 3.271 4.213 ( -4.212 -0.533 -0.310) 4.256 4.426 ( -1.296 -2.282 3.085) 4.051 4.562 ( -4.419 3.741 -6.257) 8.524 4.611 ( -13.624 0.397 5.026) 14.527 4.805 ( -10.848 -3.287 1.761) 11.471 5.215 ( 3.814 0.154 0.993) 3.944 5.257 ( 7.113 -3.580 -0.005) 7.963 5.365 ( 4.127 -1.266 -3.083) 5.305 5.492 ( 12.663 -2.705 -0.581) 12.962 5.845 ( -9.098 1.073 3.196) 9.703 5.880 ( -6.148 -1.380 4.364) 7.664 5.924 ( -11.903 -3.198 0.580) 12.339 6.028 ( 5.962 -2.665 -2.934) 7.159 6.441 ( -1.020 -0.278 2.004) 2.266 6.516 ( -4.063 2.032 -0.778) 4.609 6.647 ( 1.158 2.286 -2.046) 3.280 6.793 ( 2.086 0.111 1.331) 2.477 6.889 ( 6.657 2.208 -4.884) 8.546 7.010 ( 2.974 -2.852 0.851) 4.207 7.380 ( 4.014 3.172 -2.192) 5.566 7.657 ( 7.597 -0.851 0.580) 7.666 7.915 ( 6.371 3.692 0.323) 7.370 7.980 ( 4.506 -0.686 -2.231) 5.075 8.232 ( -8.959 12.671 -0.848) 15.541 8.498 ( -3.793 -6.968 -1.678) 8.109 8.664 ( -1.241 7.355 -0.170) 7.461 8.702 ( -1.286 2.624 1.730) 3.396 8.907 ( 2.831 0.117 3.909) 4.828 9.033 ( -3.029 -3.933 -0.046) 4.964 9.149 ( -5.919 2.819 -0.070) 6.556 9.170 ( -6.052 4.862 -0.734) 7.797 9.210 ( -2.508 0.521 -4.653) 5.312 9.468 ( 2.750 -5.785 6.678) 9.253 9.639 ( 3.374 6.484 -0.079) 7.310 9.797 ( 4.513 -6.262 -3.622) 8.526 9.973 ( 3.191 -10.953 1.015) 11.454 10.126 ( 0.673 -2.129 3.368) 4.041 10.708 ( -18.705 -0.370 0.599) 18.719 10.782 ( -20.572 -7.261 0.316) 21.818 11.486 ( -0.533 1.553 0.442) 1.701 11.545 ( -1.126 -3.684 -0.340) 3.867 11.976 ( -2.345 2.322 -1.459) 3.608 12.048 ( -1.589 4.852 1.312) 5.272 12.114 ( -8.800 -4.114 -0.251) 9.717 12.272 ( -5.108 -12.083 1.618) 13.217 12.801 ( -6.878 9.700 -0.241) 11.893 12.873 ( -6.463 7.535 1.876) 10.103 13.022 ( 4.399 3.121 0.932) 5.474 13.257 ( 2.635 0.641 3.160) 4.164 13.322 ( 4.616 -3.054 -3.113) 6.350 13.640 ( 6.803 8.012 -13.701) 17.268 13.775 ( 8.391 -1.488 -7.407) 11.291 13.846 ( 3.132 -5.045 5.599) 8.161 14.691 ( 8.022 8.683 10.186) 15.605 14.982 ( 4.704 3.969 10.928) 12.542 15.302 ( 8.502 -3.600 -0.419) 9.242 15.424 ( 15.748 -11.937 -11.440) 22.833 16.095 ( -24.757 2.003 -1.767) 24.901 16.343 ( -10.792 2.947 3.599) 11.752 18.163 ( 11.090 6.142 -7.521) 14.740 18.342 ( 2.156 12.035 5.357) 13.349 18.556 ( 0.266 -7.765 -2.426) 8.139 18.639 ( 0.419 -11.429 3.177) 11.869 ======================= Grid point 232 (108/141) ======================= q-point: (-0.60 0.20 0.40) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.981 ( 4.714 1.505 -7.250) 8.778 3.181 ( 1.582 -4.213 -0.292) 4.510 3.238 ( -0.047 14.347 8.418) 16.634 3.396 ( 0.677 4.032 -1.025) 4.215 3.641 ( -0.472 -2.021 -0.789) 2.220 3.669 ( 2.990 4.615 0.307) 5.508 3.857 ( 7.968 -4.657 -2.240) 9.497 3.996 ( 6.557 1.421 -1.239) 6.823 4.032 ( -0.827 4.146 1.022) 4.349 4.149 ( -3.875 -0.968 1.812) 4.386 4.434 ( 0.211 -6.184 -0.898) 6.253 4.442 ( -2.542 -2.891 0.983) 3.973 4.524 ( -1.324 -2.288 -1.014) 2.831 4.689 ( -7.402 -4.798 4.709) 9.999 5.182 ( -3.894 1.749 -7.914) 8.992 5.335 ( -1.415 -3.329 -0.427) 3.642 5.394 ( 0.412 -0.856 -1.265) 1.583 5.603 ( -5.476 -5.218 5.505) 9.355 5.740 ( -3.452 -7.206 -3.102) 8.571 5.819 ( 0.825 -2.348 1.676) 3.001 5.935 ( -1.116 -6.002 8.444) 10.420 6.105 ( -0.214 0.467 -1.340) 1.435 6.438 ( 0.020 1.048 2.580) 2.784 6.465 ( 2.615 3.994 2.876) 5.573 6.651 ( 1.502 0.103 2.431) 2.860 6.838 ( 1.095 -0.761 -4.735) 4.919 6.949 ( 4.608 3.660 -7.521) 9.549 7.120 ( 3.733 -0.590 4.217) 5.662 7.387 ( 2.456 7.456 -5.290) 9.466 7.726 ( -5.305 11.579 -8.803) 15.483 7.831 ( -1.634 6.335 7.820) 10.196 8.080 ( 13.026 3.056 -0.505) 13.389 8.192 ( 8.398 1.265 -0.744) 8.525 8.428 ( -0.182 7.726 -0.949) 7.786 8.554 ( -0.914 -0.722 1.322) 1.761 8.731 ( -0.375 -3.150 0.462) 3.206 8.937 ( -3.819 4.858 3.172) 6.946 8.981 ( -4.032 2.060 -4.151) 6.143 9.025 ( 0.606 -0.579 0.180) 0.857 9.108 ( -1.405 -9.526 2.011) 9.837 9.219 ( 2.566 -1.838 -4.087) 5.164 9.532 ( -0.249 0.169 3.937) 3.948 9.650 ( 5.663 6.591 -0.217) 8.692 9.931 ( -0.521 -2.789 2.098) 3.529 10.120 ( 3.407 -3.850 -2.969) 5.937 10.259 ( 0.138 -3.960 2.952) 4.941 10.494 ( -5.064 -17.828 -1.117) 18.567 10.554 ( -13.410 -17.378 1.765) 22.022 11.480 ( -0.131 -0.396 3.301) 3.328 11.547 ( -1.993 -2.074 -2.555) 3.848 11.935 ( -0.352 1.833 2.118) 2.823 11.947 ( 0.667 -0.179 -2.137) 2.246 12.111 ( -4.700 -9.448 -0.587) 10.569 12.296 ( -10.370 -11.725 2.700) 15.884 12.578 ( -1.196 12.995 -2.099) 13.217 12.682 ( -4.133 11.366 3.217) 12.515 13.032 ( 1.846 5.820 1.537) 6.296 13.301 ( 1.313 -0.364 5.577) 5.741 13.388 ( 0.144 -2.889 -2.336) 3.718 13.591 ( 4.792 11.107 -16.173) 20.197 13.870 ( 2.844 0.631 2.816) 4.051 13.962 ( 3.716 -3.600 -2.073) 5.574 14.718 ( 6.540 16.512 1.489) 17.822 14.992 ( -1.844 5.273 10.023) 11.475 15.427 ( -3.747 -5.099 -1.673) 6.545 15.622 ( -14.619 -5.104 -2.511) 15.687 15.868 ( 12.958 -9.538 -4.292) 16.652 16.213 ( -0.585 1.854 3.776) 4.247 18.228 ( 2.372 11.155 -0.697) 11.425 18.251 ( 5.526 9.033 0.456) 10.600 18.642 ( -0.777 -8.547 -1.990) 8.810 18.746 ( -1.787 -9.197 1.128) 9.436 ======================= Grid point 233 (109/141) ======================= q-point: (-0.50 0.20 0.40) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.923 ( -6.571 7.052 -4.195) 10.512 3.003 ( -8.900 18.420 13.064) 24.273 3.191 ( 2.744 1.684 -6.756) 7.484 3.328 ( -2.652 4.079 -9.599) 10.761 3.421 ( -12.260 14.422 6.880) 20.140 3.673 ( -0.521 0.642 -1.941) 2.110 3.971 ( 1.153 4.620 1.284) 4.932 4.018 ( 5.211 -1.481 2.208) 5.851 4.129 ( -1.990 -3.172 3.959) 5.449 4.178 ( 10.068 -2.354 -4.774) 11.388 4.426 ( -5.197 -1.070 0.325) 5.316 4.529 ( 2.069 -1.468 -1.535) 2.965 4.594 ( 4.432 -9.381 -1.812) 10.532 4.713 ( 1.336 -5.613 5.132) 7.722 5.030 ( -6.899 2.067 -7.421) 10.342 5.262 ( -7.594 7.129 1.388) 10.508 5.336 ( -2.157 2.066 -0.555) 3.038 5.638 ( -2.754 -7.391 0.165) 7.889 5.738 ( -2.747 4.826 -0.093) 5.554 5.946 ( 5.246 -14.146 1.870) 15.203 5.999 ( -2.785 -5.380 6.835) 9.134 6.113 ( 4.960 -8.584 0.017) 9.914 6.421 ( 0.387 3.634 3.936) 5.371 6.521 ( 2.723 -0.710 3.282) 4.324 6.686 ( -0.994 3.161 2.817) 4.349 6.816 ( 2.421 0.055 -4.896) 5.462 6.964 ( 2.970 0.517 -7.354) 7.948 7.106 ( -1.561 8.180 0.081) 8.328 7.296 ( -1.974 4.132 -1.039) 4.695 7.398 ( -6.531 12.553 -3.556) 14.590 7.869 ( -0.287 -2.418 1.392) 2.804 8.021 ( -3.342 10.183 -2.921) 11.108 8.390 ( 5.538 -8.642 2.607) 10.590 8.580 ( 11.928 1.019 -0.593) 11.986 8.648 ( 13.997 -0.684 -0.082) 14.014 8.702 ( -6.088 -3.406 0.027) 6.976 8.812 ( -6.034 -1.689 0.969) 6.340 8.950 ( 0.998 -0.050 -0.223) 1.024 9.040 ( -1.415 -1.671 -2.468) 3.299 9.183 ( 0.345 -5.628 0.112) 5.639 9.342 ( 5.120 -6.935 -2.580) 8.998 9.502 ( -3.030 1.821 3.482) 4.961 9.699 ( 7.506 7.173 0.170) 10.384 9.783 ( -14.212 -0.728 2.565) 14.460 10.118 ( -5.273 0.524 -2.295) 5.774 10.187 ( 0.100 -0.325 1.377) 1.418 10.795 ( 8.826 -24.920 2.308) 26.537 10.863 ( 12.116 -24.182 -1.843) 27.110 11.496 ( -2.277 -1.768 1.772) 3.384 11.518 ( 1.530 1.094 -0.958) 2.110 11.964 ( 0.879 -1.219 0.469) 1.575 12.060 ( 8.427 -0.039 -2.089) 8.682 12.078 ( -5.188 -4.639 0.613) 6.986 12.151 ( -6.884 -0.720 4.330) 8.165 12.525 ( 0.669 -0.476 -2.951) 3.063 12.560 ( 0.248 6.099 3.747) 7.162 12.993 ( 0.185 6.261 2.836) 6.876 13.342 ( -2.291 -3.126 4.941) 6.279 13.355 ( -1.812 3.846 -1.741) 4.594 13.498 ( 3.589 11.577 -15.178) 19.424 13.868 ( -1.227 5.021 0.472) 5.190 14.047 ( 2.988 -1.280 5.665) 6.531 14.549 ( -5.104 16.993 -9.563) 20.156 14.904 ( -5.046 5.138 12.509) 14.434 15.217 ( -10.608 3.078 -7.976) 13.625 15.479 ( -6.611 5.086 4.839) 9.643 16.243 ( 12.575 -15.177 -3.512) 20.020 16.347 ( 8.491 -10.242 3.176) 13.678 18.101 ( -1.048 13.103 6.962) 14.875 18.300 ( 6.109 3.584 -7.787) 10.526 18.666 ( -3.305 -3.745 0.095) 4.996 18.764 ( -4.623 -5.480 -1.213) 7.271 ======================= Grid point 234 (110/141) ======================= q-point: (-0.40 0.20 0.40) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.619 ( -9.665 16.340 -7.037) 20.246 2.663 ( -12.275 17.875 18.012) 28.189 3.020 ( -15.418 19.885 10.294) 27.186 3.163 ( -3.602 6.308 -20.428) 21.681 3.244 ( 6.370 2.725 -5.996) 9.162 3.644 ( -1.525 0.721 0.707) 1.829 3.907 ( -1.654 7.145 2.470) 7.739 4.004 ( -7.088 10.014 -1.214) 12.329 4.178 ( -1.831 -6.034 8.167) 10.318 4.316 ( 4.542 -0.066 -6.391) 7.841 4.366 ( 1.743 -0.572 4.676) 5.023 4.548 ( -4.620 13.393 4.780) 14.952 4.605 ( -0.308 6.442 -1.209) 6.561 4.718 ( -2.594 1.626 -4.506) 5.448 4.976 ( -2.502 3.456 -0.118) 4.268 5.062 ( -2.006 6.880 -1.162) 7.260 5.226 ( -2.979 0.824 -2.464) 3.953 5.459 ( -8.010 4.011 -2.252) 9.237 5.746 ( 1.925 -1.650 0.057) 2.536 5.943 ( -6.738 -2.414 5.113) 8.796 6.276 ( 8.296 -10.413 6.087) 14.639 6.418 ( 8.900 -9.211 -4.827) 13.688 6.479 ( 6.618 -13.814 3.813) 15.785 6.558 ( 1.692 -4.105 0.655) 4.488 6.722 ( 3.123 -9.963 4.106) 11.219 6.892 ( 4.730 -1.345 -5.870) 7.657 6.967 ( 0.905 -0.356 -5.675) 5.758 7.060 ( 4.005 0.658 0.979) 4.175 7.215 ( -4.391 2.007 0.531) 4.857 7.254 ( -0.385 2.212 -1.996) 3.004 7.861 ( -2.469 -0.969 -1.620) 3.108 7.905 ( -2.844 -0.752 -1.303) 3.217 8.515 ( -1.010 -10.027 3.733) 10.747 8.640 ( -4.468 -4.602 0.267) 6.420 8.727 ( -0.290 -4.042 0.150) 4.055 8.807 ( 3.311 -3.341 1.675) 4.993 8.925 ( 12.769 0.856 -0.308) 12.801 8.970 ( 0.751 0.506 0.379) 0.982 9.010 ( -2.315 -3.414 -3.123) 5.174 9.218 ( -4.189 -6.064 -1.674) 7.558 9.378 ( -11.578 -4.344 2.703) 12.658 9.438 ( -6.025 -7.802 -1.486) 9.969 9.643 ( 6.002 6.637 0.690) 8.975 9.770 ( 8.282 8.078 0.853) 11.601 10.061 ( -0.593 -1.915 0.485) 2.063 10.227 ( 2.086 -1.247 -0.570) 2.496 11.209 ( 9.433 -16.604 2.607) 19.274 11.270 ( 9.665 -14.862 -2.555) 17.912 11.479 ( 0.227 -1.302 -2.440) 2.775 11.558 ( 1.967 0.749 4.277) 4.767 11.865 ( -3.486 2.491 -0.846) 4.367 12.026 ( -2.350 -1.040 2.945) 3.909 12.212 ( 8.892 -5.442 1.053) 10.478 12.328 ( 10.622 -4.422 0.024) 11.506 12.553 ( 2.332 -1.814 -3.979) 4.956 12.581 ( 4.299 -0.200 4.421) 6.170 12.935 ( -0.625 5.369 3.728) 6.566 13.168 ( -9.159 7.781 -4.694) 12.902 13.356 ( -1.569 5.754 4.679) 7.581 13.373 ( -0.002 7.955 -11.069) 13.631 13.706 ( -7.534 11.314 0.225) 13.595 14.116 ( -2.558 7.448 9.312) 12.196 14.205 ( -6.761 5.640 -10.825) 13.953 14.782 ( -8.207 3.080 11.095) 14.141 15.026 ( -0.075 10.595 -9.267) 14.076 15.276 ( -6.633 12.001 2.100) 13.872 16.586 ( 8.781 -15.618 0.878) 17.939 16.665 ( 8.738 -17.195 -0.492) 19.294 17.978 ( -1.653 11.463 11.661) 16.435 18.328 ( 3.452 1.576 -14.360) 14.853 18.617 ( -3.666 0.330 0.744) 3.755 18.695 ( -6.132 -1.550 -1.891) 6.602 ======================= Grid point 235 (111/141) ======================= q-point: (-0.30 0.20 0.40) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.272 ( -1.169 23.321 -10.795) 25.725 2.353 ( -9.491 16.356 25.740) 31.940 2.503 ( -21.510 24.018 12.154) 34.457 2.967 ( -1.827 6.756 -27.481) 28.358 3.322 ( 8.420 5.866 -4.552) 11.226 3.592 ( -2.774 5.134 0.251) 5.840 3.628 ( -10.110 25.600 3.028) 27.690 3.788 ( -3.540 9.206 2.162) 10.097 4.011 ( -8.218 21.708 6.934) 24.225 4.186 ( -11.850 37.357 0.147) 39.191 4.342 ( 4.975 9.778 -2.429) 11.236 4.431 ( -1.955 -3.930 5.640) 7.147 4.468 ( 3.275 -0.276 5.098) 6.066 4.749 ( 4.682 -3.098 -6.595) 8.661 4.825 ( -5.337 5.882 -2.960) 8.476 4.888 ( -4.703 2.739 -7.959) 9.642 5.390 ( 6.673 -13.822 -2.892) 15.619 5.424 ( -1.171 -8.417 2.970) 9.002 5.795 ( 1.687 -0.781 1.331) 2.287 5.873 ( -4.184 -1.849 3.371) 5.682 6.432 ( 2.336 -2.415 6.699) 7.495 6.586 ( 2.787 -3.812 -6.057) 7.680 6.605 ( 2.367 -5.611 3.917) 7.241 6.797 ( 0.401 -12.515 -6.341) 14.035 6.945 ( 0.441 -9.783 6.178) 11.579 6.988 ( 5.698 -10.345 -4.702) 12.712 7.117 ( 4.613 -14.136 -1.671) 14.964 7.177 ( 6.399 -7.243 0.067) 9.665 7.234 ( 5.112 -8.103 -0.200) 9.583 7.267 ( 2.613 -8.216 -0.772) 8.656 7.835 ( -1.502 -3.795 -0.720) 4.144 7.901 ( -1.585 -5.632 -1.350) 6.004 8.628 ( 1.697 -8.805 4.160) 9.885 8.649 ( -0.446 -5.073 1.674) 5.361 8.753 ( -1.046 -4.703 1.958) 5.201 8.819 ( -6.393 -5.430 -0.567) 8.407 8.950 ( -2.153 2.044 -0.636) 3.037 9.004 ( -3.135 -1.694 -3.790) 5.202 9.063 ( 2.286 -0.231 0.647) 2.387 9.127 ( -7.902 -2.563 0.559) 8.326 9.260 ( -3.562 -1.798 5.522) 6.813 9.425 ( -3.018 -8.324 -5.008) 10.172 9.748 ( 11.620 7.644 -3.351) 14.307 9.816 ( 4.517 8.265 3.243) 9.961 10.126 ( 3.122 -4.282 1.816) 5.601 10.267 ( -0.406 -3.552 -1.141) 3.753 11.406 ( 2.645 -1.665 3.164) 4.447 11.479 ( 6.516 -0.838 -3.293) 7.348 11.505 ( 1.065 -0.344 -1.073) 1.551 11.573 ( -0.045 2.447 3.712) 4.446 11.925 ( 4.992 -9.809 1.243) 11.076 12.088 ( 0.299 -11.487 -0.254) 11.494 12.401 ( 3.131 -7.224 0.543) 7.892 12.475 ( 1.058 -4.891 2.663) 5.669 12.612 ( 4.655 8.129 -0.086) 9.368 12.740 ( 10.700 -1.004 2.086) 10.947 12.841 ( -12.288 15.937 0.974) 20.148 12.951 ( 8.132 2.432 -0.030) 8.488 13.154 ( -4.106 14.289 -5.767) 15.946 13.216 ( -7.831 15.316 -6.189) 18.281 13.455 ( -4.888 10.460 0.795) 11.573 13.745 ( -15.144 13.116 -3.790) 20.390 14.270 ( 5.254 -0.692 4.641) 7.045 14.633 ( -7.983 1.339 2.993) 8.630 14.911 ( 2.443 13.502 -4.117) 14.326 15.041 ( -4.428 13.153 -0.766) 13.900 16.872 ( 4.415 -14.746 4.404) 16.010 16.968 ( 5.750 -16.876 -4.246) 18.327 17.886 ( -2.341 7.484 14.741) 16.696 18.285 ( 0.417 3.054 -20.741) 20.969 18.549 ( -2.239 2.500 0.820) 3.455 18.591 ( -3.964 1.785 -1.225) 4.517 ======================= Grid point 236 (112/141) ======================= q-point: (-0.20 0.20 0.40) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( -17.918 30.494 12.175) 37.405 2.111 ( 16.096 24.306 -10.354) 30.937 2.181 ( -2.190 14.223 31.571) 34.696 2.760 ( -1.822 14.530 -27.661) 31.298 3.168 ( 7.904 48.328 13.255) 50.732 3.398 ( -8.106 9.234 -4.224) 12.993 3.465 ( -4.113 24.987 -7.866) 26.517 3.484 ( 6.447 7.909 -3.909) 10.928 3.761 ( 3.526 17.781 2.267) 18.268 3.768 ( -0.794 17.090 1.939) 17.218 4.297 ( -4.793 5.744 5.047) 9.025 4.398 ( 3.622 4.601 -5.025) 7.716 4.564 ( 2.744 -1.374 8.960) 9.471 4.735 ( -3.291 -2.832 -1.077) 4.473 4.780 ( -1.569 -2.605 -5.192) 6.017 4.875 ( 1.719 -5.663 -7.396) 9.472 5.513 ( -3.036 -11.272 5.661) 12.974 5.610 ( 2.378 -13.137 -4.831) 14.198 5.816 ( -0.736 -1.163 5.068) 5.251 5.874 ( 1.337 -1.136 -1.146) 2.096 6.491 ( 0.860 -1.666 3.586) 4.046 6.599 ( 0.760 0.576 -6.317) 6.388 6.710 ( 1.220 -3.331 5.943) 6.921 6.833 ( -2.571 -3.426 -7.277) 8.444 6.972 ( -2.432 -3.378 6.365) 7.605 7.087 ( 1.940 -2.671 -5.605) 6.505 7.344 ( 0.431 -21.191 2.765) 21.375 7.399 ( 0.021 -20.530 -2.641) 20.699 7.464 ( 1.147 -19.802 1.909) 19.927 7.504 ( -0.992 -19.618 -2.407) 19.790 7.900 ( 0.042 -7.519 2.262) 7.852 7.941 ( -0.435 -7.294 -1.884) 7.546 8.705 ( 0.781 -2.379 3.807) 4.557 8.762 ( -0.350 -3.598 -0.965) 3.742 8.791 ( 3.745 -1.670 3.753) 5.559 8.830 ( 2.279 -4.006 3.334) 5.689 8.858 ( -2.094 1.759 -2.461) 3.679 8.904 ( -5.308 -7.607 -4.104) 10.143 9.044 ( -0.969 4.518 1.081) 4.745 9.072 ( 1.304 4.353 -1.219) 4.705 9.307 ( 1.981 -6.208 8.505) 10.715 9.456 ( -1.181 -6.415 -7.133) 9.665 9.729 ( -5.702 10.468 4.285) 12.667 9.835 ( 6.983 7.652 -6.973) 12.488 10.240 ( 1.224 -4.286 2.645) 5.183 10.263 ( -2.852 -3.726 0.281) 4.701 11.439 ( -1.754 -1.857 4.703) 5.351 11.502 ( -1.865 5.021 2.490) 5.906 11.509 ( 0.188 0.239 -1.574) 1.603 11.567 ( 3.022 3.043 -2.651) 5.041 12.142 ( 3.431 -12.436 3.084) 13.264 12.192 ( -3.846 -12.480 -1.865) 13.191 12.349 ( -3.222 24.361 13.786) 28.176 12.531 ( 0.072 11.377 -2.654) 11.683 12.563 ( 4.716 -3.337 -1.246) 5.911 12.596 ( 0.235 -0.555 -1.560) 1.673 12.807 ( -4.015 12.672 -2.936) 13.614 12.861 ( 0.746 20.270 -8.588) 22.027 13.029 ( 0.761 2.865 0.528) 3.011 13.071 ( 1.081 3.154 -3.710) 4.988 13.289 ( 0.363 14.790 0.513) 14.803 13.382 ( 0.946 15.630 -7.844) 17.514 14.396 ( 6.618 -0.347 4.935) 8.263 14.495 ( -5.331 1.116 -4.816) 7.270 14.785 ( -2.421 10.537 5.030) 11.925 14.876 ( 0.744 11.546 -4.249) 12.325 17.059 ( -1.028 -11.936 5.747) 13.287 17.170 ( 1.546 -12.411 -6.279) 13.994 17.838 ( -2.106 2.945 14.907) 15.340 18.171 ( 1.301 7.006 -21.493) 22.643 18.494 ( -1.207 2.982 2.218) 3.907 18.535 ( 1.324 3.290 -2.113) 4.128 ======================= Grid point 237 (113/141) ======================= q-point: (-0.10 0.20 0.40) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( 12.741 23.269 13.494) 29.763 2.153 ( 4.435 13.163 35.771) 38.373 2.293 ( 19.621 20.881 -12.406) 31.224 2.443 ( 14.401 28.061 -17.729) 36.181 3.009 ( 24.268 46.079 17.168) 54.836 3.122 ( 1.754 11.830 -19.463) 22.844 3.265 ( 3.288 11.457 -7.259) 13.956 3.598 ( 6.407 1.758 -2.177) 6.991 3.657 ( 7.785 17.981 1.349) 19.641 3.692 ( 3.292 8.356 -2.889) 9.434 4.212 ( 0.109 0.607 5.614) 5.648 4.441 ( 7.682 5.937 -2.353) 9.990 4.631 ( -1.132 -2.118 6.297) 6.740 4.679 ( -2.548 -0.995 -6.094) 6.680 4.772 ( -5.041 -4.987 4.646) 8.478 4.926 ( -0.288 -5.708 -7.023) 9.054 5.558 ( -6.427 -9.838 5.552) 12.997 5.687 ( -6.034 -9.890 -0.657) 11.604 5.824 ( -1.166 -1.075 -1.146) 1.957 5.919 ( 2.974 -0.109 0.112) 2.978 6.515 ( -0.383 -0.325 -0.350) 0.612 6.603 ( 2.351 0.008 -6.700) 7.101 6.730 ( -5.126 -0.760 -1.372) 5.360 6.766 ( -1.310 -1.062 3.455) 3.844 6.986 ( -1.409 -1.296 5.434) 5.762 7.169 ( 3.829 -4.606 -3.307) 6.842 7.466 ( -13.242 -15.265 3.222) 20.463 7.538 ( -14.153 -18.850 -0.718) 23.583 7.551 ( -7.902 -19.738 -1.227) 21.297 7.600 ( -10.336 -21.351 -1.038) 23.744 7.892 ( -4.427 -3.428 0.908) 5.672 8.031 ( -1.288 -7.534 0.252) 7.647 8.707 ( -1.427 -0.824 -0.074) 1.649 8.792 ( 0.981 2.375 0.850) 2.706 8.807 ( -0.486 -0.448 -0.533) 0.849 8.865 ( 1.918 -0.820 0.644) 2.183 8.933 ( 3.385 -0.974 3.649) 5.072 8.969 ( 3.010 -0.393 -1.536) 3.402 9.044 ( 1.911 -3.582 -1.121) 4.212 9.146 ( 6.944 2.822 0.486) 7.512 9.392 ( -6.185 4.825 -2.985) 8.393 9.458 ( -5.497 8.259 2.699) 10.281 9.541 ( 9.839 -10.189 5.633) 15.243 9.767 ( -1.699 4.954 -9.260) 10.638 10.180 ( -2.395 3.417 2.944) 5.107 10.330 ( -1.496 -5.071 2.055) 5.672 11.370 ( -5.545 4.356 1.609) 7.233 11.447 ( -0.024 -1.275 3.246) 3.488 11.496 ( -1.882 0.980 0.726) 2.243 11.552 ( 0.913 3.548 -2.373) 4.365 12.133 ( 9.775 23.692 15.092) 29.743 12.220 ( -1.846 -9.605 -0.845) 9.818 12.385 ( 7.036 -6.194 2.152) 9.617 12.472 ( -6.368 10.054 -6.404) 13.514 12.545 ( -2.856 -1.865 -3.747) 5.067 12.582 ( 4.980 9.948 -2.518) 11.407 12.651 ( 2.338 -0.822 -6.464) 6.923 12.773 ( 8.168 14.749 -2.148) 16.996 12.921 ( 2.927 3.545 -2.978) 5.477 12.983 ( 1.070 4.692 -2.300) 5.334 13.263 ( 9.464 9.767 -1.132) 13.648 13.454 ( 14.903 13.715 -2.902) 20.460 14.408 ( -1.878 -0.384 -6.920) 7.180 14.523 ( 4.598 1.542 7.133) 8.625 14.689 ( 2.094 5.902 1.985) 6.570 14.776 ( 0.929 9.087 -0.991) 9.188 17.114 ( -5.660 -7.800 4.936) 10.828 17.232 ( -4.464 -8.411 -6.356) 11.449 17.843 ( 0.303 1.668 13.676) 13.780 18.081 ( 2.522 6.181 -16.198) 17.520 18.479 ( 2.678 3.185 0.431) 4.183 18.537 ( 3.384 4.222 -1.388) 5.586 ======================= Grid point 241 (114/141) ======================= q-point: ( 0.30 0.30 -0.60) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.048 ( 4.693 -0.000 -0.450) 4.715 3.065 ( 7.622 -0.000 -7.165) 10.461 3.440 ( 0.426 -0.000 5.497) 5.513 3.461 ( 1.447 -0.000 0.701) 1.608 3.613 ( 7.781 -0.000 -1.558) 7.936 3.714 ( 4.228 -0.000 2.688) 5.010 3.764 ( 5.978 -0.000 -0.896) 6.045 4.005 ( 6.808 -0.000 -1.712) 7.020 4.090 ( 0.676 -0.000 0.053) 0.679 4.133 ( -4.296 0.000 0.927) 4.395 4.369 ( -3.466 0.000 2.016) 4.010 4.400 ( -7.591 0.000 0.115) 7.592 4.504 ( -2.875 0.000 -3.364) 4.425 4.631 ( -6.237 0.000 5.413) 8.258 5.199 ( -4.346 0.000 -7.732) 8.870 5.288 ( 1.691 -0.000 -0.964) 1.947 5.378 ( 1.246 -0.000 1.470) 1.927 5.524 ( -7.747 0.000 0.583) 7.769 5.694 ( -4.992 0.000 -3.818) 6.285 5.792 ( 1.686 -0.000 1.665) 2.370 5.877 ( -2.252 0.000 13.125) 13.316 6.105 ( 1.953 -0.000 -2.554) 3.216 6.448 ( 0.789 -0.000 4.535) 4.603 6.518 ( 2.879 -0.000 2.708) 3.953 6.673 ( 0.718 -0.000 1.805) 1.943 6.805 ( 0.041 -0.000 -5.862) 5.862 6.992 ( 4.341 -0.000 -11.284) 12.091 7.101 ( 5.532 -0.000 8.182) 9.877 7.472 ( 4.123 -0.000 -6.089) 7.354 7.754 ( 3.262 -0.000 -2.076) 3.867 8.043 ( 5.705 -0.000 1.022) 5.796 8.134 ( -8.325 0.000 -4.495) 9.461 8.210 ( 16.752 -0.000 -4.188) 17.268 8.374 ( -2.470 0.000 7.705) 8.091 8.686 ( -0.765 0.000 -1.285) 1.495 8.764 ( -0.814 0.000 2.146) 2.295 8.843 ( -6.661 0.000 0.521) 6.682 9.003 ( -4.020 0.000 -4.601) 6.110 9.019 ( -7.159 0.000 5.387) 8.959 9.036 ( -2.022 0.000 1.200) 2.351 9.208 ( 0.579 -0.000 -4.940) 4.974 9.541 ( 3.672 -0.000 6.258) 7.256 9.809 ( 8.388 -0.000 -4.261) 9.408 9.866 ( 9.009 -0.000 -1.363) 9.112 10.007 ( 9.649 -0.000 0.284) 9.653 10.126 ( -1.646 0.000 5.179) 5.434 10.361 ( -15.831 0.000 -0.855) 15.854 10.393 ( -18.222 0.000 1.253) 18.265 11.482 ( -2.077 0.000 3.922) 4.438 11.515 ( 1.373 -0.000 -2.650) 2.985 11.958 ( -5.144 0.000 -0.143) 5.146 11.961 ( 0.599 -0.000 -2.160) 2.241 12.045 ( -4.021 0.000 1.544) 4.307 12.103 ( -3.876 0.000 1.037) 4.012 12.758 ( -4.938 0.000 0.395) 4.954 12.795 ( -6.144 0.000 0.215) 6.148 13.121 ( 4.004 -0.000 0.631) 4.053 13.225 ( -4.557 0.000 8.781) 9.893 13.382 ( 3.029 -0.000 -4.105) 5.102 13.767 ( 5.895 -0.000 -16.084) 17.131 13.858 ( 6.801 -0.000 -18.150) 19.383 13.888 ( 2.030 -0.000 16.159) 16.286 14.932 ( 7.507 -0.000 13.552) 15.493 15.071 ( -3.508 0.000 14.315) 14.739 15.419 ( -7.259 0.000 -19.534) 20.840 15.419 ( 6.906 -0.000 0.302) 6.913 15.800 ( -1.921 0.000 -1.877) 2.686 16.240 ( -4.118 0.000 3.685) 5.527 18.379 ( 8.807 -0.000 -3.002) 9.305 18.478 ( 0.765 -0.000 -3.924) 3.997 18.514 ( -0.685 0.000 1.844) 1.967 18.520 ( -1.595 0.000 4.178) 4.472 ======================= Grid point 242 (115/141) ======================= q-point: (-0.60 0.30 0.40) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.042 ( -1.027 4.007 -1.517) 4.406 3.183 ( 4.297 -1.147 -3.561) 5.697 3.332 ( -8.409 8.949 6.842) 14.058 3.417 ( -1.629 3.931 -5.560) 7.001 3.643 ( -3.547 8.721 5.101) 10.708 3.705 ( -0.267 1.715 -2.494) 3.038 3.924 ( 3.992 -6.549 2.845) 8.181 4.048 ( -2.016 2.377 0.655) 3.185 4.089 ( -0.988 -0.588 0.424) 1.225 4.157 ( 9.845 -0.904 -4.597) 10.903 4.368 ( -1.486 -4.107 -3.714) 5.733 4.392 ( 2.921 -6.259 1.456) 7.059 4.502 ( 3.732 -0.925 -1.098) 3.998 4.611 ( -0.047 -2.613 8.384) 8.782 5.080 ( -3.351 1.606 -10.837) 11.456 5.342 ( 3.224 -0.395 0.347) 3.267 5.361 ( -4.204 2.365 -0.870) 4.902 5.477 ( -1.290 -6.037 1.193) 6.288 5.648 ( 2.856 -4.764 -3.299) 6.461 5.834 ( 0.848 -1.132 5.056) 5.250 5.891 ( -2.937 -3.354 11.007) 11.876 6.072 ( -2.992 0.629 -1.238) 3.299 6.483 ( 0.777 1.675 8.529) 8.727 6.541 ( -0.360 2.419 1.909) 3.103 6.743 ( 5.390 1.718 4.034) 6.948 6.791 ( 0.348 -2.636 -6.349) 6.883 6.985 ( 0.358 1.038 -10.920) 10.975 7.184 ( 0.861 0.878 7.444) 7.545 7.434 ( -2.414 5.525 -10.284) 11.921 7.698 ( -6.989 9.801 -13.016) 17.729 7.858 ( -5.324 6.536 9.536) 12.728 8.174 ( -2.636 -12.903 3.193) 13.551 8.301 ( -4.230 14.601 -2.824) 15.462 8.532 ( -0.415 -7.251 3.313) 7.983 8.631 ( 13.512 2.061 -1.804) 13.787 8.692 ( -0.164 0.443 0.619) 0.778 8.770 ( -9.433 -2.981 -2.421) 10.185 8.937 ( -2.617 -0.524 1.709) 3.169 8.967 ( 0.832 -4.592 -1.422) 4.878 9.075 ( -1.594 -3.170 2.344) 4.253 9.205 ( -0.420 -3.295 -4.401) 5.514 9.539 ( -6.560 0.475 5.617) 8.649 9.834 ( -4.768 5.828 0.523) 7.548 9.911 ( 9.682 10.627 -2.288) 14.557 10.122 ( -7.483 -0.172 -1.025) 7.555 10.186 ( 2.679 -0.054 1.772) 3.212 10.346 ( 15.128 -15.448 0.877) 21.639 10.423 ( 13.230 -16.644 0.002) 21.261 11.472 ( -0.902 -0.578 4.414) 4.542 11.541 ( 2.653 0.840 -2.461) 3.715 11.944 ( 3.428 -1.036 1.547) 3.901 11.949 ( -4.432 -3.401 -0.853) 5.651 12.045 ( 0.296 -2.456 0.415) 2.508 12.094 ( 4.540 -1.576 0.145) 4.808 12.627 ( -4.233 6.384 -1.187) 7.751 12.679 ( -5.785 2.509 2.032) 6.625 13.115 ( -1.476 5.453 5.799) 8.096 13.239 ( -0.544 -5.715 3.940) 6.963 13.404 ( 0.643 0.882 0.014) 1.091 13.739 ( 4.417 10.523 -18.815) 22.006 13.907 ( 1.838 -2.096 -13.103) 13.396 14.004 ( 3.916 -1.882 13.608) 14.285 14.847 ( -14.405 9.995 -6.372) 18.655 14.977 ( -9.874 0.905 13.946) 17.112 15.263 ( 1.804 1.706 -1.888) 3.119 15.540 ( 3.498 1.561 4.622) 6.003 15.952 ( 10.009 -10.436 -7.066) 16.094 16.219 ( -0.258 -2.573 3.041) 3.992 18.361 ( -0.847 11.081 0.949) 11.153 18.402 ( 0.677 6.101 -2.946) 6.809 18.554 ( 1.150 -6.156 -2.186) 6.633 18.617 ( -1.722 -8.464 2.783) 9.075 ======================= Grid point 243 (116/141) ======================= q-point: (-0.50 0.30 0.40) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.917 ( -3.036 10.955 -3.439) 11.876 3.009 ( -13.311 13.522 13.274) 23.157 3.280 ( 5.236 2.853 -9.376) 11.112 3.292 ( -3.413 6.814 -10.026) 12.593 3.409 ( -7.939 15.426 7.127) 18.756 3.659 ( -2.256 1.091 -0.812) 2.634 3.986 ( -3.466 0.443 1.367) 3.752 4.011 ( -3.818 -6.665 4.198) 8.753 4.128 ( 4.689 1.307 1.786) 5.185 4.306 ( 2.043 -0.216 -4.408) 4.863 4.354 ( 4.434 -1.271 -1.613) 4.887 4.552 ( 2.693 -9.968 -0.312) 10.330 4.606 ( 6.106 0.176 0.016) 6.109 4.744 ( 6.682 -5.507 4.356) 9.693 4.974 ( -0.743 6.530 -8.744) 10.939 5.247 ( -3.228 6.346 1.176) 7.217 5.336 ( -1.548 3.998 -0.212) 4.292 5.500 ( -4.523 -3.859 -0.317) 5.954 5.786 ( 2.108 4.492 -1.011) 5.064 5.858 ( -4.602 -4.778 7.720) 10.179 5.996 ( 10.453 -10.860 2.744) 15.321 6.109 ( 5.609 -10.266 0.650) 11.716 6.476 ( -1.121 2.224 8.987) 9.326 6.533 ( -1.343 -0.707 4.777) 5.012 6.684 ( -3.290 5.181 -4.352) 7.524 6.873 ( 2.493 -0.523 1.324) 2.871 6.958 ( 1.498 -0.945 -11.463) 11.599 7.163 ( -0.553 5.758 2.767) 6.412 7.267 ( -5.745 5.325 -1.392) 7.955 7.389 ( -5.982 9.571 -10.309) 15.286 7.801 ( -4.340 -2.540 2.061) 5.434 7.999 ( -9.930 8.780 -2.726) 13.532 8.263 ( -4.332 -14.985 4.516) 16.239 8.550 ( -3.994 -3.841 1.231) 5.676 8.615 ( -7.892 -7.104 -0.566) 10.634 8.685 ( -3.489 -7.484 -0.588) 8.278 8.911 ( -0.757 -1.871 0.887) 2.205 8.957 ( 6.061 -0.363 -0.026) 6.072 9.011 ( 2.802 -1.107 0.639) 3.080 9.053 ( -0.433 -3.788 -2.315) 4.460 9.222 ( -2.762 -6.872 -4.231) 8.530 9.393 ( -8.635 -0.346 3.884) 9.474 9.779 ( 4.830 5.591 0.641) 7.416 9.924 ( -0.103 3.681 3.194) 4.875 10.079 ( 7.287 6.488 -4.046) 10.563 10.237 ( 3.183 2.455 1.804) 4.406 10.835 ( 17.627 -16.943 2.211) 24.549 10.897 ( 16.025 -18.903 -2.435) 24.901 11.480 ( 0.809 0.601 1.970) 2.213 11.581 ( 3.281 1.147 -0.053) 3.476 11.904 ( -2.404 -0.412 0.731) 2.546 12.008 ( -3.415 -2.837 3.549) 5.684 12.121 ( 9.539 -2.132 -0.005) 9.774 12.281 ( 10.873 2.359 -0.029) 11.126 12.550 ( 4.147 0.097 -3.501) 5.428 12.576 ( -4.368 -0.749 2.619) 5.148 13.042 ( -3.034 4.820 8.376) 10.129 13.272 ( -0.796 1.597 -2.854) 3.366 13.390 ( -0.589 1.378 7.120) 7.276 13.606 ( -0.241 11.296 -17.490) 20.822 13.859 ( -3.209 2.907 -10.138) 11.024 14.141 ( 5.502 -0.378 11.994) 13.201 14.404 ( -18.853 8.467 -10.091) 22.999 14.811 ( -11.484 -0.065 10.010) 15.234 15.278 ( 7.127 12.709 -3.362) 14.954 15.510 ( -1.599 10.489 5.372) 11.893 16.244 ( 7.688 -16.929 -4.594) 19.152 16.332 ( 2.549 -13.581 3.322) 14.212 18.221 ( -2.902 11.388 7.727) 14.065 18.362 ( 1.112 1.726 -10.762) 10.957 18.586 ( -1.820 -3.469 -1.963) 4.382 18.644 ( -2.683 -2.936 2.582) 4.742 ======================= Grid point 244 (117/141) ======================= q-point: (-0.40 0.30 0.40) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.687 ( -10.308 15.560 19.442) 26.951 2.730 ( 2.081 19.017 -5.860) 20.008 2.982 ( -13.787 22.070 5.218) 26.540 3.114 ( -2.400 7.883 -19.148) 20.845 3.402 ( 8.579 3.296 -4.646) 10.297 3.603 ( -4.147 -0.123 0.293) 4.159 3.895 ( -4.855 3.640 1.628) 6.283 3.947 ( -5.175 2.857 1.181) 6.029 4.207 ( 2.908 0.532 7.720) 8.267 4.332 ( 1.313 -2.896 2.599) 4.107 4.469 ( 6.176 -0.080 -5.299) 8.138 4.638 ( 0.390 -1.554 -2.738) 3.172 4.708 ( 5.553 3.545 -0.229) 6.592 4.727 ( -0.933 15.144 0.957) 15.203 5.042 ( 5.440 3.380 -0.135) 6.406 5.119 ( -0.698 6.347 -1.108) 6.480 5.172 ( -6.506 13.798 -1.185) 15.301 5.329 ( -8.670 1.393 -2.120) 9.033 5.785 ( 2.732 0.774 -0.682) 2.920 5.825 ( -4.737 -2.913 6.090) 8.247 6.318 ( 5.992 -9.360 6.352) 12.801 6.389 ( 5.416 -16.360 -0.645) 17.246 6.475 ( 1.777 -3.491 0.205) 3.922 6.511 ( -2.307 -2.878 2.324) 4.360 6.712 ( 4.456 -9.380 4.935) 11.497 6.911 ( -0.267 -6.348 -3.736) 7.371 6.951 ( 2.595 1.654 -11.544) 11.947 7.092 ( -4.270 -0.131 -2.712) 5.060 7.164 ( 0.193 0.614 4.734) 4.777 7.277 ( 0.480 3.428 -3.859) 5.184 7.752 ( -4.877 -4.056 -0.945) 6.413 7.814 ( -5.302 -1.883 -1.767) 5.897 8.378 ( -0.892 -15.257 4.425) 15.911 8.550 ( -0.340 -4.263 0.721) 4.337 8.601 ( -4.586 -11.569 0.463) 12.453 8.680 ( -5.610 -7.120 0.248) 9.068 8.824 ( -11.273 -8.918 2.481) 14.587 8.944 ( -2.790 -1.267 -2.998) 4.286 9.107 ( 5.827 1.130 -1.202) 6.056 9.174 ( 6.484 2.615 -0.727) 7.029 9.212 ( -2.572 -2.404 0.015) 3.521 9.291 ( -4.435 -2.426 -0.857) 5.127 9.848 ( 5.400 1.706 1.870) 5.964 9.915 ( 0.183 -0.096 2.436) 2.445 10.133 ( 6.658 6.888 -1.108) 9.643 10.250 ( 0.687 2.748 -0.548) 2.885 11.262 ( 10.189 -12.415 3.613) 16.462 11.298 ( 9.723 -14.421 -3.413) 17.724 11.512 ( 3.063 0.377 0.844) 3.199 11.610 ( 0.552 1.139 0.376) 1.320 11.887 ( 2.134 4.461 3.744) 6.203 11.988 ( -0.031 0.520 0.310) 0.606 12.244 ( 0.888 -5.799 -1.342) 6.018 12.382 ( 0.007 -2.451 2.373) 3.411 12.628 ( 6.831 -6.360 2.831) 9.753 12.766 ( 16.309 2.658 -4.252) 17.062 12.974 ( -1.761 2.929 7.262) 8.026 13.124 ( -6.187 10.073 -2.563) 12.096 13.384 ( -5.991 7.950 -3.181) 10.450 13.427 ( 1.625 5.395 -2.726) 6.260 13.672 ( -5.597 8.858 -7.902) 13.124 13.980 ( -15.454 9.180 -6.098) 18.981 14.277 ( 6.509 1.064 8.723) 10.936 14.654 ( -8.058 0.610 3.531) 8.819 15.225 ( 4.465 16.282 -2.615) 17.084 15.333 ( -3.206 15.076 1.545) 15.490 16.527 ( 4.362 -18.266 -0.041) 18.780 16.570 ( 2.317 -20.456 0.954) 20.609 18.078 ( -3.867 10.334 12.229) 16.471 18.329 ( 1.543 1.492 -15.650) 15.797 18.571 ( -1.016 -0.824 -1.759) 2.192 18.609 ( -3.075 0.315 1.554) 3.460 ======================= Grid point 245 (118/141) ======================= q-point: (-0.30 0.30 0.40) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.437 ( -10.579 18.444 19.830) 29.074 2.524 ( -5.406 25.413 13.095) 29.095 2.616 ( 12.661 22.652 -7.201) 26.931 2.958 ( 1.805 8.215 -24.849) 26.234 3.471 ( -8.400 2.444 1.098) 8.817 3.520 ( 7.903 2.436 -3.732) 9.073 3.794 ( 2.016 9.584 2.896) 10.213 3.830 ( -1.684 8.589 -1.001) 8.810 4.214 ( 0.958 12.071 9.185) 15.198 4.359 ( -1.773 5.801 -3.229) 6.871 4.458 ( 0.251 20.343 5.362) 21.040 4.546 ( 2.150 12.658 6.978) 14.613 4.608 ( 4.091 7.319 -5.516) 10.037 4.761 ( -2.658 6.820 -11.393) 13.542 4.795 ( -1.907 9.228 2.572) 9.768 4.854 ( -0.814 12.154 -3.620) 12.708 5.283 ( -4.589 -10.135 2.086) 11.319 5.329 ( 4.404 -13.322 -2.767) 14.301 5.790 ( -2.006 -1.410 5.071) 5.633 5.852 ( 3.282 -1.067 -1.824) 3.904 6.439 ( -0.652 -4.225 7.826) 8.918 6.535 ( -0.749 -12.324 3.136) 12.739 6.573 ( 1.667 -4.368 -2.498) 5.301 6.613 ( -0.944 -15.033 -3.995) 15.583 6.872 ( -0.481 -5.627 2.254) 6.081 6.944 ( -1.269 -8.260 -4.373) 9.432 7.035 ( 1.396 -10.583 0.139) 10.675 7.096 ( -0.839 -11.743 -5.207) 12.873 7.216 ( 0.474 -4.138 2.187) 4.705 7.260 ( 0.699 0.337 -2.295) 2.423 7.758 ( 0.132 -6.158 1.439) 6.326 7.805 ( -0.425 -5.905 -3.031) 6.651 8.592 ( 5.016 -13.610 4.942) 15.324 8.628 ( 1.694 -6.493 1.680) 6.917 8.647 ( -3.549 -6.977 -0.042) 7.828 8.669 ( -1.940 -13.194 -1.912) 13.473 8.804 ( 2.348 -1.230 3.152) 4.118 8.878 ( -3.509 -0.602 -4.418) 5.673 9.130 ( -0.845 2.102 5.089) 5.570 9.171 ( -2.119 3.735 0.636) 4.342 9.228 ( 1.777 0.721 0.395) 1.958 9.302 ( 1.288 -7.469 -7.038) 10.343 9.893 ( -3.061 1.590 3.224) 4.721 9.923 ( 2.479 3.167 0.530) 4.056 10.162 ( -1.012 -1.706 2.226) 2.982 10.217 ( 1.040 2.572 -3.262) 4.283 11.416 ( -2.268 -3.062 4.287) 5.736 11.484 ( 1.811 -4.007 -2.834) 5.232 11.573 ( -3.206 0.151 1.259) 3.447 11.595 ( 3.249 -1.337 -0.856) 3.616 11.931 ( 2.090 -4.066 3.711) 5.888 11.988 ( -1.403 -2.379 -2.194) 3.527 12.361 ( 2.833 -7.505 2.381) 8.368 12.391 ( -3.011 -9.039 -0.913) 9.571 12.773 ( 5.954 8.124 2.352) 10.344 12.832 ( -4.202 11.158 -2.347) 12.152 12.938 ( -1.350 0.922 4.738) 5.012 13.011 ( -0.847 -0.148 -3.302) 3.412 13.204 ( 1.230 9.386 -0.025) 9.466 13.282 ( -1.412 14.502 -6.266) 15.860 13.590 ( 0.760 12.219 0.859) 12.273 13.639 ( -1.486 8.902 -4.673) 10.163 14.416 ( 8.530 2.024 6.402) 10.856 14.528 ( -4.520 2.044 -4.688) 6.825 15.054 ( -5.066 15.088 6.186) 17.076 15.167 ( 3.097 16.277 -5.396) 17.426 16.755 ( -0.181 -17.030 3.306) 17.349 16.810 ( -0.066 -21.442 -2.445) 21.581 17.959 ( -3.094 8.187 15.210) 17.549 18.285 ( 3.015 4.253 -19.325) 20.016 18.546 ( -1.802 1.925 1.711) 3.143 18.579 ( 1.749 0.781 -1.686) 2.552 ======================= Grid point 246 (119/141) ======================= q-point: (-0.20 0.30 0.40) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.086 ( 2.553 27.947 8.196) 29.236 2.423 ( 3.425 14.581 29.709) 33.272 2.688 ( 21.168 18.627 -8.570) 29.470 2.836 ( 4.371 12.496 -23.287) 26.787 3.271 ( -8.499 4.833 0.386) 9.785 3.616 ( 3.939 2.661 -2.012) 5.162 3.701 ( 7.762 20.053 -4.268) 21.922 3.792 ( 7.171 9.284 1.850) 11.876 4.062 ( 8.805 35.937 4.843) 37.316 4.185 ( 11.711 27.279 -3.847) 29.934 4.243 ( -6.402 8.438 5.922) 12.135 4.529 ( 3.152 3.490 1.693) 4.998 4.602 ( -3.618 -1.963 -5.431) 6.814 4.685 ( 1.583 -0.029 5.603) 5.822 4.690 ( -1.917 0.228 -6.476) 6.757 4.872 ( 4.657 3.976 -1.735) 6.365 5.323 ( -5.851 -12.421 3.953) 14.288 5.469 ( -1.430 -10.064 -1.875) 10.337 5.799 ( -0.559 -1.632 0.668) 1.850 5.919 ( 4.210 -0.039 -0.756) 4.278 6.478 ( -1.475 -4.139 3.271) 5.477 6.598 ( 0.937 -0.427 -6.706) 6.784 6.633 ( -4.481 -9.324 3.789) 11.017 6.695 ( -2.659 -9.120 -0.507) 9.513 6.900 ( -3.776 -7.991 3.968) 9.688 7.015 ( -3.980 -12.831 -1.142) 13.482 7.108 ( -6.718 -15.495 0.596) 16.899 7.198 ( -5.324 -12.293 -3.852) 13.939 7.240 ( -1.690 -7.023 0.122) 7.224 7.272 ( -2.195 -5.411 -1.416) 6.009 7.825 ( 0.145 -3.475 0.200) 3.484 7.887 ( 1.841 -6.139 -0.134) 6.410 8.664 ( -0.535 -4.089 0.007) 4.124 8.705 ( -0.838 -9.687 -2.922) 10.153 8.773 ( 0.220 -3.363 1.574) 3.719 8.810 ( 5.040 -5.295 -1.403) 7.443 8.891 ( 4.971 -1.041 4.940) 7.085 8.972 ( 5.837 -2.382 0.378) 6.316 9.057 ( -4.095 3.626 -0.019) 5.469 9.118 ( 3.363 -3.568 2.137) 5.349 9.326 ( 6.136 -6.853 4.960) 10.451 9.380 ( 2.563 -4.342 -6.959) 8.594 9.696 ( -10.468 11.501 1.742) 15.648 9.877 ( -5.297 3.325 -2.307) 6.666 10.143 ( -3.767 -4.157 0.011) 5.610 10.242 ( 0.615 -2.226 1.229) 2.616 11.390 ( -3.277 -3.455 4.953) 6.871 11.447 ( -7.159 2.319 -0.682) 7.555 11.499 ( -1.434 -0.031 -0.130) 1.440 11.628 ( 0.775 1.105 -1.785) 2.238 11.952 ( -6.268 -9.819 -1.643) 11.765 12.067 ( 0.904 -10.212 1.884) 10.424 12.402 ( -2.976 -8.477 0.338) 8.991 12.510 ( -0.469 -6.524 -0.149) 6.543 12.630 ( -9.512 6.166 -1.314) 11.411 12.740 ( -3.765 9.593 2.399) 10.581 12.821 ( 8.175 6.178 1.379) 10.339 12.905 ( -8.809 11.609 3.817) 15.065 13.114 ( 4.547 9.437 -3.136) 10.935 13.235 ( 9.896 14.572 -4.406) 18.157 13.467 ( 6.022 9.438 -2.033) 11.379 13.719 ( 12.877 10.505 -1.352) 16.673 14.425 ( -1.542 2.198 -10.841) 11.168 14.579 ( 9.428 3.467 7.590) 12.590 14.851 ( -2.708 10.372 3.529) 11.286 15.039 ( 2.291 15.793 -0.963) 15.988 16.881 ( -5.235 -14.327 4.316) 15.852 16.961 ( -5.149 -17.834 -4.421) 19.082 17.910 ( -0.450 5.015 16.623) 17.369 18.219 ( 2.296 6.820 -18.552) 19.899 18.534 ( 2.795 1.840 0.935) 3.474 18.610 ( 3.810 2.519 -1.668) 4.862 ======================= Grid point 247 (120/141) ======================= q-point: (-0.10 0.30 0.40) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( 23.655 16.264 7.430) 29.653 2.487 ( 7.739 11.223 30.599) 33.498 2.708 ( 9.336 22.836 -11.947) 27.411 2.850 ( 14.408 9.875 -20.438) 26.886 3.114 ( -3.375 2.104 2.046) 4.472 3.630 ( 10.159 10.023 -3.800) 14.769 3.720 ( 9.048 10.220 -4.531) 14.382 3.803 ( 3.081 7.945 -1.308) 8.622 4.007 ( 25.731 33.193 5.277) 42.329 4.084 ( 10.804 19.852 -1.015) 22.625 4.290 ( 9.907 3.306 3.211) 10.927 4.526 ( -2.484 -1.710 -4.880) 5.736 4.590 ( 2.316 -1.090 -1.385) 2.911 4.623 ( -2.259 0.691 -0.108) 2.364 4.749 ( 2.373 -0.079 4.275) 4.891 4.905 ( 4.283 3.609 -0.597) 5.633 5.336 ( -7.521 -10.188 3.469) 13.130 5.488 ( -5.082 -5.946 0.279) 7.827 5.786 ( -1.895 -0.516 -0.229) 1.977 5.995 ( 4.659 1.226 -0.671) 4.864 6.464 ( -4.655 -2.749 -4.830) 7.249 6.564 ( -4.837 -2.643 -5.210) 7.584 6.622 ( -2.733 -3.050 -0.069) 4.096 6.723 ( -2.963 -4.545 6.560) 8.513 6.877 ( -10.172 -7.394 2.702) 12.862 6.989 ( -15.726 -14.245 2.590) 21.376 7.116 ( -7.336 -10.423 0.212) 12.748 7.209 ( -4.652 -12.463 -2.643) 13.563 7.229 ( -6.714 -8.401 -1.693) 10.887 7.328 ( 0.830 -3.532 -0.703) 3.695 7.832 ( -1.586 -1.119 1.122) 2.242 7.962 ( 0.499 -3.933 0.287) 3.975 8.681 ( -0.636 -1.130 0.859) 1.555 8.740 ( -6.122 -1.015 -0.229) 6.209 8.763 ( -2.129 -3.517 -1.289) 4.309 8.854 ( -6.766 1.086 2.161) 7.185 8.953 ( -2.864 0.479 -2.050) 3.554 8.971 ( 0.285 -4.593 -3.004) 5.495 9.021 ( 2.087 -3.577 4.148) 5.862 9.235 ( 1.363 2.518 -0.096) 2.865 9.345 ( -6.737 8.238 -0.902) 10.680 9.527 ( 3.873 2.561 4.071) 6.175 9.625 ( 8.647 -10.533 2.687) 13.890 9.746 ( 1.527 -0.353 -6.816) 6.994 10.121 ( -2.614 -2.448 0.802) 3.670 10.247 ( -3.237 -1.743 1.164) 3.856 11.294 ( -4.915 0.913 0.983) 5.095 11.450 ( 1.812 -4.027 2.686) 5.169 11.515 ( 3.379 -0.686 1.513) 3.765 11.601 ( 0.094 4.284 -1.949) 4.708 11.963 ( -6.821 -14.391 -1.619) 16.008 12.176 ( -2.746 -12.157 1.160) 12.517 12.244 ( -17.238 2.692 1.630) 17.523 12.385 ( -8.984 -2.357 0.431) 9.298 12.600 ( 4.037 -2.961 0.206) 5.011 12.704 ( 0.397 -3.055 -3.388) 4.579 12.766 ( 9.000 10.093 4.783) 14.344 12.914 ( 6.788 3.733 2.555) 8.157 13.188 ( 12.845 6.856 -3.569) 14.991 13.265 ( 10.658 12.901 -4.125) 17.234 13.463 ( 2.601 9.234 -0.937) 9.639 13.813 ( 10.174 12.139 -0.260) 15.840 14.354 ( -1.194 0.073 -10.564) 10.631 14.656 ( 3.492 6.027 8.973) 11.359 14.862 ( 9.883 4.104 -5.873) 12.207 14.955 ( 7.023 13.519 5.920) 16.344 16.890 ( -10.035 -11.322 4.184) 15.697 16.952 ( -11.858 -12.554 -4.092) 17.748 17.922 ( 0.267 2.634 10.505) 10.834 18.121 ( 0.009 5.916 -9.651) 11.320 18.600 ( 6.699 3.433 -1.367) 7.651 18.650 ( 4.654 3.742 -0.917) 6.042 ======================= Grid point 252 (121/141) ======================= q-point: (-0.60 0.40 0.40) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.028 ( -1.349 0.000 -2.878) 3.178 3.149 ( -13.104 0.000 11.177) 17.223 3.309 ( 6.045 -0.000 -7.239) 9.431 3.390 ( -1.990 0.000 -5.031) 5.411 3.635 ( -5.380 0.000 0.523) 5.405 3.682 ( -4.173 0.000 0.601) 4.216 3.883 ( -2.550 0.000 1.990) 3.234 3.994 ( -5.435 0.000 0.992) 5.525 4.132 ( 4.079 -0.000 2.560) 4.816 4.286 ( 8.191 -0.000 -6.085) 10.204 4.334 ( 0.974 -0.000 -2.782) 2.947 4.423 ( 2.149 -0.000 3.157) 3.819 4.612 ( 8.144 -0.000 -1.224) 8.236 4.668 ( 5.814 -0.000 6.198) 8.498 5.063 ( 3.018 -0.000 -12.290) 12.655 5.312 ( -2.423 0.000 0.444) 2.464 5.378 ( -5.053 0.000 -2.379) 5.585 5.419 ( 3.160 -0.000 2.647) 4.122 5.781 ( 13.680 -0.000 -0.588) 13.693 5.816 ( -5.428 0.000 12.212) 13.364 5.912 ( 6.627 -0.000 3.424) 7.459 6.022 ( -1.118 0.000 -0.987) 1.492 6.518 ( -2.493 0.000 13.427) 13.657 6.519 ( -3.042 0.000 2.651) 4.035 6.736 ( 0.159 -0.000 -8.830) 8.831 6.879 ( -0.263 0.000 6.603) 6.608 6.951 ( 2.421 -0.000 -12.365) 12.599 7.211 ( -0.858 0.000 6.334) 6.391 7.358 ( -4.476 0.000 -11.417) 12.263 7.549 ( -10.986 0.000 -15.996) 19.406 7.826 ( -7.190 0.000 9.484) 11.902 7.978 ( -8.305 0.000 7.929) 11.482 8.204 ( -14.524 0.000 -3.468) 14.932 8.387 ( -7.903 0.000 -2.155) 8.191 8.571 ( -1.698 0.000 0.857) 1.903 8.590 ( -8.222 0.000 -1.313) 8.326 8.888 ( -15.141 0.000 4.683) 15.848 8.922 ( 1.431 -0.000 -0.871) 1.676 8.991 ( 16.795 -0.000 -0.807) 16.814 9.078 ( 8.096 -0.000 0.081) 8.096 9.127 ( -3.100 0.000 -6.275) 6.998 9.391 ( -7.883 0.000 3.906) 8.798 9.849 ( 1.895 -0.000 -2.655) 3.262 9.933 ( -7.466 0.000 6.458) 9.872 10.230 ( 12.666 -0.000 -7.623) 14.783 10.292 ( 3.658 -0.000 5.123) 6.295 10.608 ( 19.540 -0.000 0.142) 19.541 10.646 ( 21.672 -0.000 -0.058) 21.672 11.488 ( 1.234 -0.000 3.914) 4.104 11.595 ( 2.765 -0.000 -2.041) 3.437 11.885 ( 0.236 -0.000 0.597) 0.642 11.960 ( -1.549 0.000 3.860) 4.159 12.114 ( 13.005 -0.000 1.083) 13.050 12.334 ( 15.697 -0.000 -2.682) 15.924 12.541 ( -9.494 0.000 1.016) 9.548 12.565 ( -4.864 0.000 -0.775) 4.925 13.105 ( -3.957 0.000 11.777) 12.424 13.268 ( 4.263 -0.000 -0.494) 4.292 13.411 ( -1.699 0.000 5.275) 5.542 13.787 ( -5.065 0.000 -19.594) 20.238 13.831 ( 3.065 -0.000 -19.869) 20.104 14.137 ( 5.761 -0.000 16.991) 17.941 14.498 ( -21.538 0.000 -10.375) 23.907 14.802 ( -11.539 0.000 10.202) 15.402 15.443 ( 8.879 -0.000 7.593) 11.683 15.666 ( 5.101 -0.000 1.852) 5.427 15.999 ( 5.923 -0.000 -7.907) 9.880 16.176 ( -2.938 0.000 2.668) 3.969 18.383 ( -2.215 0.000 -4.950) 5.423 18.393 ( -3.976 0.000 2.031) 4.465 18.500 ( -0.717 0.000 -0.751) 1.039 18.608 ( 1.441 -0.000 1.803) 2.308 ======================= Grid point 254 (122/141) ======================= q-point: (-0.50 0.40 0.40) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.924 ( -11.341 6.341 13.932) 19.050 2.990 ( 2.110 5.433 -5.484) 8.003 3.293 ( -1.957 8.372 -6.275) 10.643 3.350 ( -1.083 8.957 -5.730) 10.688 3.494 ( 0.980 7.429 0.376) 7.503 3.599 ( -4.165 -0.182 -0.444) 4.193 3.876 ( -3.235 -4.822 2.243) 6.225 3.913 ( -3.940 -3.020 0.064) 4.965 4.213 ( 2.651 -1.270 4.215) 5.139 4.314 ( 0.350 3.141 1.085) 3.341 4.414 ( 3.838 -4.919 -4.408) 7.640 4.503 ( 1.921 -5.784 -0.973) 6.172 4.741 ( 7.306 1.495 -0.731) 7.493 4.859 ( 10.535 -4.717 2.067) 11.726 5.002 ( -3.696 5.889 -7.139) 9.966 5.241 ( -4.513 1.302 0.265) 4.704 5.349 ( 2.348 2.087 -0.980) 3.291 5.449 ( -1.011 2.059 1.632) 2.815 5.771 ( -3.609 -1.462 9.061) 9.862 5.871 ( 0.389 5.148 -1.954) 5.520 6.135 ( 10.681 -5.582 3.134) 12.452 6.198 ( 17.225 -3.649 0.357) 17.611 6.470 ( -3.737 0.899 6.885) 7.885 6.495 ( -4.263 -0.566 8.605) 9.620 6.676 ( -2.856 5.093 -2.797) 6.475 6.798 ( -5.917 -4.459 -1.670) 7.594 6.981 ( 3.375 0.893 -13.382) 13.830 7.150 ( -10.601 1.944 -0.268) 10.781 7.238 ( -0.677 6.653 -0.054) 6.687 7.333 ( -1.878 1.299 -7.219) 7.571 7.699 ( -6.374 0.087 2.165) 6.732 7.827 ( -12.223 0.630 -0.538) 12.251 8.064 ( -1.735 -10.488 3.765) 11.277 8.305 ( -8.244 -13.127 -2.811) 15.754 8.497 ( -1.720 -1.306 -1.533) 2.648 8.564 ( -6.026 -3.411 2.831) 7.480 8.711 ( -3.533 -2.500 3.746) 5.724 8.927 ( -2.083 -0.371 -1.748) 2.744 9.070 ( 0.818 -2.116 -5.556) 6.001 9.157 ( -1.440 -1.236 -0.477) 1.957 9.233 ( 9.688 1.312 -2.084) 9.996 9.307 ( -1.986 1.487 4.105) 4.796 9.850 ( -3.337 -0.492 6.395) 7.230 9.889 ( 2.157 -0.989 -3.427) 4.168 10.311 ( 2.306 7.018 4.320) 8.558 10.359 ( 6.586 5.848 -4.289) 9.796 10.985 ( 13.093 -10.959 0.609) 17.085 11.028 ( 13.499 -8.870 -0.186) 16.154 11.523 ( 1.845 0.569 2.594) 3.234 11.621 ( 0.798 0.030 -1.176) 1.422 11.953 ( 6.983 0.575 0.893) 7.064 12.004 ( 4.448 0.026 2.937) 5.330 12.245 ( -4.573 6.194 -0.239) 7.702 12.379 ( -10.586 -1.058 1.277) 10.715 12.481 ( 13.701 -5.504 3.560) 15.188 12.747 ( 18.425 -2.273 -4.946) 19.212 13.069 ( -2.420 4.042 10.630) 11.627 13.259 ( -6.534 3.121 -0.421) 7.253 13.431 ( 3.051 -0.614 9.772) 10.256 13.554 ( -9.176 4.775 -15.045) 18.258 13.778 ( -2.348 1.890 -18.591) 18.834 14.106 ( -16.074 2.957 -10.073) 19.199 14.298 ( 7.119 0.684 13.211) 15.023 14.659 ( -6.970 0.051 4.847) 8.490 15.534 ( 5.030 11.552 4.034) 13.230 15.647 ( 1.352 14.035 -0.121) 14.100 16.161 ( 4.373 -15.513 -5.047) 16.889 16.191 ( -3.326 -13.586 4.341) 14.646 18.274 ( -4.261 7.594 6.263) 10.726 18.348 ( 0.171 -0.002 -7.384) 7.386 18.519 ( 0.114 -3.314 -0.382) 3.337 18.612 ( -1.218 -0.031 -0.788) 1.451 ======================= Grid point 255 (123/141) ======================= q-point: (-0.40 0.40 0.40) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.727 ( -6.092 10.778 17.126) 21.133 2.980 ( 8.096 10.004 -5.539) 14.011 3.064 ( -5.055 24.014 1.270) 24.574 3.148 ( 1.319 11.475 -11.725) 16.459 3.510 ( -4.819 1.731 0.115) 5.121 3.554 ( 5.898 0.971 -4.119) 7.259 3.872 ( -0.471 -1.057 3.197) 3.400 3.906 ( -0.289 -0.983 -0.354) 1.084 4.262 ( 0.025 -0.549 6.316) 6.340 4.322 ( -0.229 -2.368 2.844) 3.708 4.510 ( 2.806 -4.011 -3.734) 6.157 4.549 ( -2.338 -6.000 -6.258) 8.980 4.813 ( -2.150 4.655 1.637) 5.382 4.846 ( 0.644 4.253 -1.536) 4.568 5.109 ( 7.218 -5.506 0.679) 9.104 5.139 ( -4.677 -3.481 -2.493) 6.341 5.296 ( 1.529 18.738 1.157) 18.836 5.316 ( -2.150 15.641 -1.066) 15.824 5.771 ( -1.117 0.046 5.702) 5.810 5.845 ( 3.020 1.454 -3.082) 4.553 6.313 ( 0.441 -2.764 6.131) 6.740 6.366 ( -2.689 -1.055 0.905) 3.027 6.424 ( -6.433 -3.338 4.544) 8.554 6.504 ( 8.426 -2.152 1.508) 8.827 6.691 ( 1.427 -8.635 3.948) 9.602 6.800 ( 0.621 -6.710 -6.784) 9.562 6.918 ( -9.638 -0.645 -1.163) 9.729 7.003 ( 4.565 0.236 -10.893) 11.813 7.224 ( 0.937 2.547 4.535) 5.285 7.304 ( 0.349 2.445 -3.950) 4.658 7.662 ( 0.889 -2.815 1.159) 3.171 7.708 ( -0.904 -3.044 -3.268) 4.557 8.256 ( 4.782 -16.704 5.164) 18.126 8.335 ( -4.336 -16.168 -3.190) 17.041 8.506 ( -3.515 -5.757 2.586) 7.224 8.541 ( 3.678 -3.733 -1.056) 5.346 8.778 ( 4.916 -1.047 3.514) 6.133 8.855 ( -4.180 -1.148 -4.483) 6.237 9.094 ( -4.619 -2.558 1.935) 5.623 9.158 ( 3.872 -4.989 -5.323) 8.259 9.262 ( -2.487 3.619 3.348) 5.522 9.308 ( 2.426 3.709 -1.587) 4.708 9.834 ( -3.395 -3.385 7.264) 8.703 9.943 ( 3.272 -1.740 -4.647) 5.944 10.239 ( -4.184 7.656 6.675) 10.986 10.350 ( 2.983 8.319 -5.084) 10.196 11.234 ( -0.964 -12.092 1.700) 12.249 11.265 ( 1.263 -13.529 -1.538) 13.674 11.561 ( 1.179 0.611 2.714) 3.021 11.603 ( -1.248 0.980 -1.671) 2.304 11.994 ( -2.980 6.722 5.293) 9.060 12.071 ( 4.197 6.224 -2.723) 7.986 12.215 ( 2.596 -5.947 1.252) 6.609 12.234 ( -3.123 -5.526 -0.898) 6.411 12.808 ( 10.651 -2.671 4.793) 11.981 12.897 ( -11.073 -2.249 -2.380) 11.547 13.030 ( -8.434 5.790 2.400) 10.508 13.069 ( 9.059 5.264 -0.301) 10.482 13.366 ( 1.231 6.060 0.385) 6.196 13.488 ( -1.124 5.768 -6.196) 8.539 13.697 ( 5.345 1.505 -1.078) 5.657 13.806 ( -10.151 4.946 -8.390) 14.067 14.461 ( 9.302 1.946 7.592) 12.164 14.570 ( -2.756 1.797 -3.645) 4.911 15.391 ( -5.018 17.310 7.514) 19.526 15.519 ( 4.247 17.179 -6.096) 18.716 16.341 ( -3.597 -22.542 3.842) 23.148 16.389 ( 1.989 -18.026 -1.224) 18.177 18.143 ( -3.395 8.848 9.969) 13.755 18.344 ( 3.092 1.185 -10.682) 11.184 18.564 ( 0.248 -1.207 -0.483) 1.323 18.575 ( 0.300 0.192 -1.428) 1.472 ======================= Grid point 256 (124/141) ======================= q-point: (-0.30 0.40 0.40) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.578 ( -0.006 17.449 12.366) 21.387 2.797 ( 2.433 22.614 11.122) 25.319 3.033 ( 10.419 13.632 0.273) 17.160 3.055 ( 6.891 9.221 -19.145) 22.339 3.379 ( -3.634 6.183 -2.714) 7.668 3.632 ( 3.798 0.182 -2.564) 4.587 3.884 ( 2.199 2.806 2.514) 4.362 3.954 ( 6.009 2.474 1.404) 6.648 4.252 ( -3.931 1.788 6.311) 7.647 4.324 ( -3.012 -2.449 -1.336) 4.105 4.516 ( -4.964 -5.776 -7.578) 10.744 4.565 ( 1.347 -0.746 1.508) 2.155 4.688 ( -3.677 3.179 1.839) 5.197 4.800 ( -1.415 8.255 -4.478) 9.497 5.019 ( -1.778 14.112 2.082) 14.375 5.105 ( -1.205 5.049 -0.105) 5.192 5.157 ( 6.901 19.140 0.791) 20.361 5.325 ( 7.406 -2.467 -1.689) 7.987 5.766 ( -0.652 -0.500 1.516) 1.725 5.910 ( 4.764 -0.951 -2.683) 5.549 6.315 ( -7.748 -12.127 6.337) 15.725 6.393 ( -6.540 -14.768 -1.046) 16.185 6.420 ( 0.005 -4.454 3.207) 5.488 6.602 ( 2.419 0.729 -0.119) 2.530 6.772 ( -3.498 -8.076 -1.804) 8.984 6.800 ( -5.501 -2.305 3.024) 6.687 6.894 ( 2.044 -6.434 -3.093) 7.426 7.068 ( 2.621 -0.744 -2.587) 3.757 7.225 ( 0.526 1.488 2.498) 2.955 7.257 ( -0.256 2.153 -4.967) 5.420 7.754 ( 4.952 -2.656 -0.961) 5.700 7.797 ( 5.277 -2.343 -0.352) 5.785 8.451 ( 1.702 -14.281 -2.644) 14.623 8.553 ( 2.318 -7.904 0.306) 8.243 8.591 ( 7.202 -13.804 1.626) 15.655 8.679 ( 3.336 -5.122 0.338) 6.122 8.864 ( 7.593 -5.055 -1.108) 9.189 8.888 ( 4.718 -0.130 2.314) 5.257 9.047 ( -5.847 -3.083 4.576) 8.039 9.148 ( -6.821 3.245 0.943) 7.612 9.241 ( 0.001 -3.326 -2.652) 4.254 9.318 ( 6.214 0.223 -3.131) 6.961 9.816 ( -5.257 -1.659 4.476) 7.101 9.962 ( -2.549 5.946 -0.886) 6.530 10.077 ( -5.828 0.444 2.794) 6.478 10.282 ( -0.728 5.660 -2.683) 6.306 11.235 ( -10.763 -12.004 3.307) 16.458 11.327 ( -9.473 -14.031 -3.254) 17.239 11.512 ( -3.826 1.859 0.996) 4.369 11.607 ( 0.307 -0.597 0.404) 0.784 11.921 ( -2.310 2.361 0.626) 3.362 11.999 ( 0.822 3.735 -0.664) 3.882 12.228 ( -3.196 -6.210 0.248) 6.989 12.400 ( 3.223 -2.921 0.615) 4.392 12.684 ( -15.090 -1.193 2.163) 15.291 12.707 ( -9.968 -5.500 -3.303) 11.854 13.017 ( 7.489 9.817 4.329) 13.084 13.121 ( 1.432 8.552 -2.601) 9.052 13.338 ( 1.490 9.370 -2.635) 9.847 13.440 ( 7.501 6.045 1.722) 9.786 13.618 ( -0.757 4.659 -7.090) 8.518 13.858 ( 11.214 3.417 7.036) 13.672 14.488 ( -0.672 3.392 -12.163) 12.645 14.648 ( 12.317 2.887 3.965) 13.258 15.124 ( -6.714 16.068 6.795) 18.693 15.391 ( 3.116 17.582 -3.102) 18.124 16.508 ( -5.970 -23.275 1.792) 24.095 16.571 ( -2.326 -17.114 0.803) 17.290 18.047 ( -1.453 7.965 12.810) 15.155 18.345 ( 3.654 4.832 -14.928) 16.110 18.546 ( 0.814 -0.647 1.031) 1.464 18.636 ( 3.850 0.075 -1.148) 4.018 ======================= Grid point 257 (125/141) ======================= q-point: (-0.20 0.40 0.40) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.507 ( 12.984 19.473 4.313) 23.799 2.752 ( 6.350 14.529 21.444) 26.669 3.009 ( 8.755 12.067 -17.276) 22.819 3.091 ( 3.494 5.709 3.182) 7.411 3.266 ( 4.648 14.597 -8.707) 17.621 3.675 ( 2.504 -0.569 -2.530) 3.605 3.912 ( 2.999 3.823 2.392) 5.415 4.008 ( 4.636 11.154 -1.980) 12.240 4.156 ( -4.851 -2.011 9.223) 10.613 4.316 ( 1.612 -2.457 -3.255) 4.386 4.452 ( -4.291 -3.240 -6.029) 8.079 4.582 ( -4.582 0.015 1.549) 4.837 4.640 ( 5.070 2.178 0.039) 5.518 4.695 ( 3.741 9.335 -6.450) 11.948 4.926 ( 10.905 18.715 4.254) 22.074 5.051 ( -1.181 1.635 0.091) 2.020 5.177 ( 5.444 4.986 2.710) 7.864 5.435 ( 5.745 2.358 -0.139) 6.212 5.759 ( -1.934 -2.202 -1.090) 3.127 6.005 ( 5.356 -0.255 -0.712) 5.409 6.316 ( -9.125 -14.959 2.416) 17.689 6.411 ( -7.887 -10.924 -4.765) 14.291 6.482 ( -4.517 -12.786 4.824) 14.393 6.604 ( -0.475 0.626 -2.547) 2.666 6.707 ( -7.432 -3.642 3.267) 8.898 6.795 ( -2.829 -4.074 2.078) 5.377 6.959 ( 0.439 -3.343 -2.048) 3.944 7.059 ( -3.172 -1.186 -0.465) 3.419 7.183 ( -2.200 1.121 0.744) 2.579 7.304 ( 6.004 0.302 -3.690) 7.054 7.835 ( 1.538 1.258 0.475) 2.043 7.890 ( 3.572 -2.184 0.041) 4.187 8.609 ( 2.074 -8.663 -5.019) 10.224 8.643 ( 2.444 -4.121 -0.580) 4.826 8.714 ( -4.369 -2.681 1.765) 5.421 8.819 ( -0.549 -5.063 1.303) 5.257 8.891 ( -10.903 -0.820 1.984) 11.112 8.943 ( 2.388 -3.179 3.404) 5.234 9.006 ( -1.842 1.947 -2.718) 3.817 9.184 ( 6.214 -6.945 2.106) 9.554 9.367 ( 7.516 -10.910 1.637) 13.349 9.461 ( 7.569 0.270 -2.357) 7.932 9.642 ( -5.315 8.647 0.658) 10.172 9.778 ( -7.596 2.928 0.445) 8.153 10.063 ( -0.790 -2.233 0.398) 2.402 10.226 ( -1.114 0.163 -0.607) 1.279 11.186 ( -11.282 -13.901 3.354) 18.215 11.291 ( -6.707 -16.254 -2.970) 17.832 11.438 ( -2.639 -0.351 1.955) 3.303 11.610 ( -0.901 -1.539 -1.124) 2.107 11.847 ( -0.439 4.071 0.797) 4.171 12.053 ( 3.960 -0.983 0.157) 4.083 12.222 ( -8.079 -6.280 0.040) 10.233 12.321 ( -12.797 -3.130 0.932) 13.207 12.502 ( -1.953 -3.008 1.490) 3.884 12.660 ( -3.628 -1.025 -3.729) 5.303 12.999 ( 0.274 10.262 -3.091) 10.721 13.050 ( 5.223 8.889 7.235) 12.595 13.317 ( 7.670 5.435 -4.835) 10.571 13.485 ( 4.259 8.003 -5.388) 10.546 13.614 ( 3.446 4.192 3.684) 6.559 14.024 ( 10.555 8.277 7.658) 15.445 14.397 ( -0.889 3.766 -16.791) 17.231 14.811 ( 4.972 8.201 11.870) 15.260 14.957 ( 6.273 6.189 -5.660) 10.473 15.272 ( 4.610 16.426 2.322) 17.218 16.590 ( -10.437 -19.357 0.662) 22.002 16.647 ( -8.088 -14.712 1.084) 16.824 18.004 ( -0.554 5.551 12.773) 13.938 18.264 ( -0.188 7.584 -11.781) 14.012 18.628 ( 6.448 -1.045 -1.286) 6.658 18.694 ( 3.776 0.773 -0.913) 3.961 ======================= Grid point 258 (126/141) ======================= q-point: (-0.10 0.40 -0.60) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.682 ( 19.462 8.779 3.301) 21.604 2.825 ( 8.848 9.858 20.574) 24.470 3.002 ( 9.166 10.495 -16.706) 21.755 3.107 ( 1.761 0.426 4.013) 4.403 3.163 ( 8.405 21.348 -8.015) 24.303 3.714 ( 2.084 -0.134 -4.430) 4.897 3.880 ( -0.132 6.992 -2.094) 7.300 3.957 ( 0.962 4.388 3.682) 5.808 4.147 ( -5.100 -3.855 5.246) 8.270 4.396 ( 2.880 -3.301 -4.951) 6.611 4.413 ( -2.426 -0.709 -2.206) 3.355 4.514 ( 0.563 1.617 -0.064) 1.714 4.692 ( 2.588 -1.238 -3.804) 4.764 4.774 ( 8.995 0.232 1.551) 9.131 5.022 ( 14.407 10.605 3.021) 18.142 5.059 ( 6.004 3.779 -0.060) 7.094 5.213 ( 5.118 7.186 1.457) 8.942 5.504 ( 7.850 7.676 1.621) 11.098 5.743 ( -1.797 -1.774 1.659) 3.021 6.078 ( 2.022 0.350 1.562) 2.579 6.311 ( -7.876 -2.901 -8.159) 11.705 6.317 ( -6.334 -11.657 -1.085) 13.311 6.499 ( -10.029 -13.333 0.199) 16.685 6.556 ( -2.999 0.489 -3.993) 5.018 6.651 ( -4.061 -2.747 10.354) 11.456 6.760 ( -5.700 -0.656 3.556) 6.750 6.962 ( -5.196 -3.164 -1.436) 6.251 7.010 ( -1.563 -2.512 -5.235) 6.013 7.159 ( -0.630 -0.746 2.645) 2.820 7.402 ( 6.786 0.625 -3.776) 7.791 7.799 ( -3.113 1.714 2.467) 4.326 7.964 ( 2.245 -1.181 -0.156) 2.542 8.499 ( -19.387 -0.369 5.349) 20.114 8.568 ( -13.815 -2.568 0.170) 14.052 8.692 ( 0.243 -4.803 -4.381) 6.505 8.766 ( 1.978 -2.074 -0.043) 2.867 8.889 ( -2.085 0.173 -2.408) 3.190 8.948 ( 0.145 -0.576 -3.026) 3.084 9.012 ( -1.866 -0.762 3.392) 3.945 9.255 ( -0.164 -1.381 0.822) 1.616 9.304 ( -4.683 3.462 0.087) 5.824 9.564 ( -4.386 3.878 1.902) 6.156 9.663 ( 5.362 -8.191 -0.965) 9.837 9.812 ( 7.255 0.183 2.251) 7.598 10.100 ( 1.712 -2.019 0.609) 2.716 10.221 ( 2.009 1.601 -2.689) 3.719 11.164 ( -6.302 -12.432 2.058) 14.090 11.436 ( 0.339 -16.239 -0.309) 16.246 11.456 ( -1.426 -8.332 1.427) 8.573 11.605 ( -0.656 -1.527 -2.168) 2.732 11.845 ( 3.598 4.788 4.568) 7.533 12.000 ( -11.752 0.317 3.530) 12.275 12.088 ( -0.117 2.031 -4.500) 4.939 12.237 ( -1.797 -1.689 0.944) 2.640 12.589 ( -0.953 -6.626 -1.581) 6.878 12.650 ( 3.562 -8.869 0.838) 9.594 12.952 ( 3.249 3.492 -4.060) 6.264 13.055 ( 1.650 6.672 8.375) 10.834 13.383 ( 0.807 5.122 -12.267) 13.318 13.462 ( 7.944 2.611 -3.626) 9.114 13.602 ( 0.970 9.459 6.200) 11.351 14.067 ( 3.076 12.815 5.150) 14.149 14.300 ( -0.389 -0.615 -10.701) 10.726 14.824 ( 4.801 6.609 4.290) 9.226 15.085 ( 12.067 5.276 -1.548) 13.261 15.297 ( 13.630 10.993 3.280) 17.815 16.531 ( -15.759 -14.808 0.248) 21.626 16.588 ( -13.745 -10.924 1.521) 17.623 17.971 ( -0.587 4.231 3.974) 5.834 18.139 ( -2.489 5.528 -3.582) 7.041 18.742 ( 5.487 0.816 -4.352) 7.050 18.763 ( 5.652 1.529 2.571) 6.395 ======================= Grid point 264 (127/141) ======================= q-point: ( 0.50 -0.50 0.40) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.846 ( -5.462 0.000 12.976) 14.078 3.059 ( 5.401 0.000 -7.303) 9.083 3.310 ( -1.535 -0.000 0.242) 1.554 3.386 ( -0.483 0.000 -5.047) 5.070 3.542 ( -1.230 -0.000 -0.989) 1.578 3.553 ( 2.772 0.000 -2.148) 3.507 3.827 ( -2.281 -0.000 1.612) 2.793 3.842 ( 1.684 0.000 -0.035) 1.684 4.240 ( -0.245 0.000 6.067) 6.072 4.331 ( -2.445 0.000 -2.266) 3.333 4.419 ( 3.324 0.000 2.412) 4.107 4.485 ( -0.796 0.000 -5.020) 5.083 4.848 ( 3.519 0.000 0.137) 3.521 4.874 ( -6.602 0.000 -3.243) 7.355 5.083 ( 11.937 0.000 0.790) 11.963 5.109 ( -8.608 0.000 -2.400) 8.936 5.421 ( -4.456 0.000 1.362) 4.660 5.453 ( 4.991 0.000 -1.972) 5.366 5.773 ( 1.361 0.000 7.794) 7.912 5.881 ( 0.663 0.000 -4.458) 4.507 6.335 ( 10.326 0.000 5.328) 11.619 6.380 ( -7.551 0.000 -0.465) 7.565 6.383 ( -11.894 -0.000 11.233) 16.360 6.539 ( 11.748 0.000 0.161) 11.749 6.596 ( -2.548 0.000 4.550) 5.215 6.718 ( 2.560 0.000 -5.672) 6.223 6.929 ( -11.381 0.000 -2.770) 11.713 7.011 ( 5.139 0.000 -12.430) 13.450 7.271 ( -1.052 -0.000 2.785) 2.978 7.332 ( 1.841 0.000 -3.074) 3.583 7.640 ( 2.585 0.000 1.815) 3.158 7.681 ( -1.945 0.000 -2.113) 2.872 8.052 ( 4.942 -0.000 3.269) 5.925 8.112 ( -4.247 0.000 -3.480) 5.491 8.443 ( -3.886 0.000 3.957) 5.545 8.500 ( 3.795 0.000 -2.205) 4.389 8.767 ( 5.746 0.000 3.410) 6.682 8.842 ( -4.810 0.000 -4.413) 6.527 9.066 ( -5.657 0.000 0.101) 5.658 9.101 ( 5.022 0.000 -4.145) 6.512 9.304 ( -3.183 0.000 3.615) 4.816 9.348 ( 2.899 0.000 -1.268) 3.164 9.796 ( -3.632 0.000 8.096) 8.873 9.919 ( 2.882 0.000 -5.272) 6.008 10.346 ( -3.596 0.000 7.259) 8.101 10.466 ( 2.590 -0.000 -5.446) 6.030 11.068 ( 1.444 0.000 1.617) 2.168 11.098 ( -0.965 0.000 -1.497) 1.781 11.571 ( 1.885 0.000 2.970) 3.518 11.615 ( -1.217 0.000 -1.614) 2.022 12.088 ( -10.098 0.000 3.452) 10.671 12.127 ( 7.384 0.000 -0.463) 7.398 12.156 ( -5.835 0.000 1.029) 5.925 12.181 ( 9.214 -0.000 -1.484) 9.333 12.768 ( 10.701 0.000 5.492) 12.028 12.861 ( -11.336 0.000 -2.646) 11.641 13.094 ( -8.898 0.000 3.507) 9.564 13.133 ( 8.960 0.000 0.236) 8.963 13.435 ( 0.183 0.000 -0.274) 0.330 13.535 ( 2.972 0.000 1.204) 3.207 13.717 ( 2.053 0.000 -8.080) 8.337 13.845 ( -10.749 -0.000 -12.013) 16.120 14.483 ( 9.360 0.000 8.181) 12.432 14.591 ( -1.945 0.000 -3.153) 3.705 15.683 ( 1.353 0.000 4.819) 5.005 15.755 ( -0.226 -0.000 -2.508) 2.518 16.018 ( -7.105 -0.000 6.407) 9.567 16.115 ( 3.645 0.000 -3.596) 5.120 18.271 ( -2.876 0.000 3.969) 4.902 18.331 ( 0.962 0.000 -1.860) 2.094 18.540 ( 3.756 0.000 -0.340) 3.771 18.579 ( -1.473 0.000 -3.926) 4.193 ======================= Grid point 266 (128/141) ======================= q-point: (-0.40 0.50 0.40) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.814 ( 0.952 5.887 11.557) 13.005 3.147 ( 6.636 1.917 -3.663) 7.819 3.255 ( 0.113 8.363 -3.152) 8.938 3.258 ( 0.556 15.055 -0.695) 15.082 3.532 ( 3.871 7.537 -2.988) 8.985 3.619 ( 3.723 -2.210 -2.701) 5.103 3.873 ( 2.650 -6.089 2.597) 7.130 3.906 ( 3.017 -1.913 1.313) 3.806 4.236 ( -3.235 -1.625 6.287) 7.254 4.275 ( -3.664 -1.910 -1.267) 4.322 4.429 ( -4.471 -1.426 -4.732) 6.664 4.502 ( 2.203 -3.590 -0.565) 4.250 4.728 ( -7.996 0.770 0.457) 8.046 4.868 ( -2.184 -0.767 2.951) 3.750 4.955 ( -7.123 0.027 -4.009) 8.173 5.274 ( 7.144 1.183 -2.761) 7.750 5.343 ( -1.146 0.505 -0.417) 1.320 5.473 ( 2.043 5.511 -0.712) 5.921 5.817 ( 1.743 3.732 3.916) 5.683 5.906 ( 4.322 0.984 -5.353) 6.950 6.147 ( -15.059 -3.703 5.413) 16.425 6.178 ( -13.163 -5.578 -1.008) 14.331 6.450 ( 4.262 4.214 5.305) 8.004 6.568 ( -2.241 -3.445 8.260) 9.226 6.748 ( 6.828 3.056 -7.617) 10.676 6.767 ( -0.268 -0.538 3.660) 3.709 6.842 ( 5.698 0.121 -5.698) 8.059 7.101 ( 6.636 2.432 0.067) 7.068 7.256 ( 0.867 1.172 1.117) 1.837 7.306 ( -1.871 1.750 -4.460) 5.144 7.758 ( 10.237 2.847 -4.153) 11.408 7.801 ( 12.574 3.066 1.994) 13.095 8.141 ( 2.062 -13.516 -4.007) 14.248 8.250 ( 8.616 -12.787 2.999) 15.708 8.465 ( 3.324 -2.795 1.755) 4.684 8.598 ( 3.963 -2.235 -0.895) 4.637 8.792 ( 3.209 -1.798 -4.475) 5.793 8.884 ( 4.875 -0.225 3.458) 5.981 8.991 ( -3.784 -1.672 2.580) 4.875 9.177 ( 1.372 -1.926 -3.029) 3.842 9.193 ( -9.040 1.166 1.959) 9.323 9.356 ( 1.755 1.572 -1.484) 2.784 9.773 ( -2.937 -1.290 7.767) 8.403 9.965 ( 3.212 -1.309 -4.544) 5.716 10.222 ( -8.812 7.147 6.841) 13.249 10.423 ( -1.818 6.170 -4.345) 7.762 10.992 ( -13.886 -8.321 -0.018) 16.188 11.034 ( -12.354 -11.083 -0.725) 16.613 11.559 ( -2.447 2.353 0.228) 3.402 11.596 ( -0.828 -1.032 0.296) 1.355 11.942 ( -4.680 -0.022 1.636) 4.958 12.020 ( -4.568 -1.884 1.401) 5.136 12.274 ( 4.267 8.687 -2.599) 10.021 12.393 ( 11.186 -0.128 0.071) 11.186 12.559 ( -16.322 -6.140 -4.579) 18.030 12.640 ( -17.822 -2.913 5.996) 19.028 13.189 ( 10.650 6.023 3.901) 12.841 13.248 ( 4.075 2.812 0.331) 4.962 13.466 ( -1.292 3.382 -6.363) 7.321 13.501 ( 2.485 0.395 4.892) 5.501 13.666 ( -3.397 0.679 -13.999) 14.421 13.888 ( 12.681 0.222 11.891) 17.386 14.543 ( -0.186 1.513 -12.077) 12.173 14.689 ( 12.854 1.052 1.648) 13.001 15.499 ( -6.569 19.851 6.337) 21.848 15.714 ( 1.633 10.509 -5.723) 12.077 16.026 ( -7.948 -20.378 9.050) 23.672 16.246 ( 1.442 -13.027 -1.570) 13.200 18.211 ( -0.881 6.897 6.547) 9.550 18.378 ( 3.501 -1.986 -4.170) 5.795 18.539 ( -0.887 0.719 -3.068) 3.273 18.621 ( 4.117 -1.073 -1.388) 4.475 ======================= Grid point 267 (129/141) ======================= q-point: (-0.30 0.50 0.40) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.831 ( 7.333 10.432 6.442) 14.286 3.084 ( 0.197 15.390 7.386) 17.071 3.167 ( -0.258 5.292 5.622) 7.726 3.257 ( 9.782 9.955 -13.203) 19.213 3.538 ( 8.955 10.075 -6.234) 14.851 3.668 ( 1.186 0.488 -1.748) 2.168 3.961 ( 2.787 0.983 3.395) 4.501 4.035 ( 3.942 -6.514 4.233) 8.712 4.189 ( -6.973 1.935 -3.015) 7.840 4.207 ( -4.240 -4.230 1.486) 6.171 4.354 ( -4.381 -5.044 -0.845) 6.734 4.545 ( -1.907 -2.943 1.165) 3.696 4.616 ( -5.275 -3.252 -1.595) 6.399 4.822 ( -1.478 2.625 6.607) 7.261 4.858 ( -3.768 -4.484 -6.979) 9.111 5.278 ( 2.898 6.590 -1.643) 7.384 5.343 ( 1.449 3.943 -1.068) 4.334 5.510 ( 5.649 -0.118 -1.314) 5.801 5.772 ( -0.724 4.567 0.679) 4.673 5.956 ( -3.581 -7.541 -2.044) 8.595 6.019 ( -2.641 -5.054 0.350) 5.714 6.116 ( -5.852 -10.318 -0.347) 11.867 6.490 ( 2.983 4.048 6.617) 8.311 6.565 ( -3.855 -3.223 4.647) 6.844 6.722 ( -1.714 2.825 1.095) 3.481 6.797 ( 3.475 2.518 -7.921) 9.009 6.945 ( 5.796 1.830 -4.195) 7.386 7.122 ( 0.210 5.835 7.744) 9.699 7.222 ( -3.139 1.940 1.771) 4.093 7.333 ( 8.152 2.418 -4.790) 9.759 7.866 ( 7.320 3.553 -5.012) 9.556 7.946 ( 8.073 7.734 2.711) 11.504 8.377 ( 6.445 -13.768 -6.734) 16.627 8.556 ( 5.498 -6.029 0.563) 8.179 8.601 ( 7.157 -8.506 0.515) 11.129 8.669 ( 1.823 -6.147 1.405) 6.564 8.889 ( -10.364 0.014 5.122) 11.561 8.912 ( -3.705 0.306 2.438) 4.446 9.015 ( 8.956 -5.683 1.414) 10.701 9.050 ( -1.922 0.518 -2.788) 3.425 9.183 ( 0.774 -6.897 0.063) 6.940 9.454 ( 10.301 -0.294 -3.290) 10.818 9.741 ( -3.621 1.463 4.856) 6.231 9.940 ( -11.450 11.530 2.977) 16.520 10.029 ( 2.273 -1.234 -0.721) 2.685 10.277 ( -4.845 4.864 -1.861) 7.113 10.841 ( -16.404 -16.729 1.728) 23.494 10.899 ( -16.661 -18.607 -2.734) 25.125 11.483 ( -2.737 3.149 1.569) 4.457 11.588 ( -1.277 -1.168 -0.578) 1.825 11.917 ( 0.989 -0.183 -0.585) 1.164 12.054 ( 4.516 -3.465 -0.101) 5.693 12.105 ( -9.792 1.171 0.986) 9.911 12.261 ( -15.184 -1.249 1.584) 15.317 12.511 ( -1.268 2.137 0.837) 2.622 12.625 ( 5.355 -2.628 -2.507) 6.471 13.175 ( -2.424 6.816 -1.460) 7.380 13.251 ( 4.786 10.056 2.713) 11.462 13.402 ( 0.571 2.731 -4.880) 5.622 13.597 ( 1.936 3.069 -5.979) 6.994 13.615 ( 2.087 -3.754 5.113) 6.677 14.148 ( 12.413 3.801 13.428) 18.677 14.481 ( 1.975 3.666 -17.864) 18.343 14.921 ( 14.169 2.488 -0.840) 14.411 15.192 ( -6.804 16.669 5.314) 18.772 15.593 ( 1.633 13.671 -2.858) 14.062 16.130 ( -10.185 -23.661 6.953) 26.682 16.366 ( -3.029 -12.405 -0.520) 12.780 18.149 ( -0.108 8.216 8.855) 12.080 18.407 ( 1.820 5.269 -9.336) 10.873 18.560 ( 2.879 -4.687 0.772) 5.555 18.687 ( 2.582 -1.334 -1.910) 3.477 ======================= Grid point 268 (130/141) ======================= q-point: (-0.20 0.50 -0.60) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.881 ( 5.691 9.448 0.138) 11.030 3.018 ( 5.180 7.555 12.216) 15.269 3.162 ( 4.463 5.603 5.710) 9.161 3.249 ( 7.303 13.133 -12.715) 19.685 3.545 ( 6.864 14.712 -5.461) 17.129 3.682 ( 0.998 -1.892 -2.567) 3.342 3.975 ( -0.707 3.113 1.629) 3.584 4.014 ( -7.640 -0.046 3.315) 8.329 4.081 ( -5.122 -2.173 2.867) 6.259 4.244 ( 0.024 -7.342 -7.417) 10.436 4.390 ( 1.731 -4.375 4.212) 6.315 4.510 ( -2.277 -1.131 0.845) 2.679 4.584 ( -4.551 -7.307 -0.639) 8.632 4.831 ( 2.438 0.574 -7.561) 7.965 4.893 ( 3.349 -4.476 7.101) 9.037 5.286 ( 6.834 6.311 -0.779) 9.335 5.345 ( 2.810 2.787 -1.531) 4.244 5.628 ( 3.619 -6.282 0.258) 7.254 5.746 ( 5.102 7.624 -0.368) 9.181 5.963 ( -6.995 -15.968 0.812) 17.452 6.069 ( -1.692 -2.399 2.354) 3.763 6.122 ( -1.573 -8.651 -4.543) 9.897 6.488 ( 0.231 4.775 1.223) 4.934 6.538 ( -3.695 -2.173 2.271) 4.851 6.654 ( -2.289 3.591 3.040) 5.233 6.791 ( 0.687 2.206 -5.051) 5.554 6.961 ( 0.745 1.793 -6.128) 6.429 7.078 ( 0.990 8.011 3.926) 8.977 7.180 ( -1.105 2.711 8.137) 8.647 7.436 ( 8.442 3.315 -5.577) 10.647 7.891 ( -0.556 5.929 -0.113) 5.956 7.975 ( 4.780 5.036 0.366) 6.953 8.457 ( -12.380 -5.016 -2.793) 13.647 8.539 ( -14.315 -0.650 3.430) 14.735 8.629 ( -4.857 1.186 0.283) 5.008 8.713 ( 5.097 -3.960 -0.406) 6.468 8.835 ( 5.748 -4.464 -1.272) 7.388 8.953 ( -0.960 0.126 -0.288) 1.011 9.006 ( 1.300 -0.701 0.607) 1.596 9.178 ( 0.758 -4.843 0.647) 4.945 9.313 ( -3.808 -7.139 0.809) 8.132 9.541 ( 1.611 2.539 -1.315) 3.282 9.678 ( -6.891 5.622 2.035) 9.123 9.799 ( 12.606 -0.769 1.655) 12.737 10.079 ( 2.420 0.163 1.088) 2.659 10.227 ( 3.259 -0.507 -2.095) 3.907 10.780 ( -12.400 -21.303 2.468) 24.772 10.891 ( -8.277 -27.104 -3.254) 28.526 11.439 ( 0.500 1.332 3.221) 3.522 11.576 ( -0.529 -1.218 -2.529) 2.856 11.927 ( -0.827 1.793 3.902) 4.373 12.005 ( -5.616 -1.467 2.715) 6.408 12.103 ( -1.026 -5.209 -1.224) 5.449 12.222 ( 8.623 -1.170 -2.610) 9.085 12.473 ( -0.248 -0.467 2.185) 2.249 12.627 ( -1.656 6.269 -2.551) 6.967 13.060 ( -1.134 6.192 -4.184) 7.559 13.221 ( 0.428 8.970 9.893) 13.361 13.439 ( 5.236 -0.618 -7.662) 9.301 13.516 ( -1.660 3.127 -10.876) 11.438 13.702 ( 0.476 0.184 9.279) 9.293 14.274 ( 3.194 2.300 -0.602) 3.981 14.403 ( 0.810 14.210 -4.448) 14.912 14.984 ( 1.646 9.187 8.102) 12.359 15.166 ( 13.326 2.471 -6.717) 15.126 15.524 ( 6.639 10.276 0.452) 12.243 16.160 ( -14.579 -20.717 4.980) 25.818 16.377 ( -8.013 -9.014 -0.288) 12.064 18.086 ( -1.217 7.282 7.893) 10.808 18.297 ( -2.212 8.954 -7.022) 11.592 18.688 ( 3.510 -5.845 -2.247) 7.178 18.753 ( 4.157 -2.405 0.044) 4.803 ======================= Grid point 269 (131/141) ======================= q-point: (-0.10 0.50 -0.60) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.839 ( -3.864 -0.304 7.670) 8.594 3.164 ( 6.903 9.592 -9.987) 15.473 3.190 ( 8.578 4.735 1.311) 9.885 3.239 ( 8.162 3.770 1.905) 9.190 3.478 ( 3.981 14.060 -0.034) 14.613 3.706 ( 0.491 -2.030 -2.963) 3.625 3.886 ( -5.390 -0.289 1.874) 5.714 3.951 ( -2.000 1.596 -0.196) 2.566 4.003 ( -6.400 -2.727 1.206) 7.061 4.251 ( -2.539 -3.821 -4.787) 6.631 4.442 ( 2.243 0.333 1.549) 2.746 4.555 ( -3.162 -6.811 1.977) 7.765 4.575 ( 0.510 -0.834 -1.051) 1.435 4.897 ( 4.343 -5.879 -4.675) 8.677 5.014 ( 3.760 1.240 6.394) 7.520 5.349 ( 3.074 0.897 1.685) 3.619 5.411 ( 7.816 0.968 -2.684) 8.321 5.697 ( -0.661 1.268 2.584) 2.953 5.824 ( 10.158 5.322 -1.212) 11.532 5.990 ( -8.670 -13.710 -2.354) 16.392 6.078 ( 1.350 -3.362 5.302) 6.422 6.212 ( 1.966 -10.518 -2.849) 11.073 6.434 ( 1.089 6.067 -5.136) 8.023 6.487 ( -4.068 -3.085 -3.171) 6.010 6.606 ( -2.438 -0.251 9.525) 9.835 6.716 ( -2.941 8.504 -1.351) 9.099 6.927 ( -0.743 4.172 -0.177) 4.241 7.005 ( -0.549 5.445 -3.692) 6.602 7.167 ( -0.052 1.267 4.443) 4.620 7.538 ( 8.463 2.271 -6.085) 10.668 7.741 ( -9.475 3.812 5.457) 11.580 8.021 ( 4.123 3.641 -0.736) 5.550 8.192 ( -13.122 -1.724 0.664) 13.251 8.257 ( -14.558 1.152 3.340) 14.981 8.645 ( 0.342 -3.530 -3.130) 4.730 8.795 ( -0.478 1.031 -2.277) 2.545 8.874 ( -1.136 2.674 0.989) 3.069 8.937 ( 0.027 1.290 -2.575) 2.880 9.003 ( 2.413 -1.288 1.632) 3.185 9.218 ( -0.957 -3.199 0.417) 3.365 9.247 ( -2.799 -1.072 0.362) 3.019 9.539 ( -1.589 2.169 1.156) 2.927 9.635 ( -0.061 -3.522 -1.238) 3.734 9.958 ( 3.973 0.757 7.475) 8.499 10.105 ( 0.810 -0.930 -2.810) 3.069 10.324 ( 5.057 2.506 -3.899) 6.860 10.881 ( -1.965 -20.888 2.266) 21.102 11.115 ( 0.112 -26.286 -2.342) 26.391 11.480 ( 1.772 -0.568 3.201) 3.703 11.589 ( 1.343 -1.532 -1.989) 2.847 11.866 ( -4.773 0.579 3.611) 6.013 12.006 ( 3.165 -4.171 1.917) 5.576 12.140 ( 5.478 16.076 1.549) 17.054 12.351 ( 7.631 -2.462 -1.583) 8.173 12.478 ( -5.972 4.238 -2.198) 7.646 12.619 ( 5.444 -11.516 2.334) 12.950 12.986 ( -0.609 2.902 -3.601) 4.665 13.146 ( -3.004 7.190 9.214) 12.067 13.348 ( -3.549 4.113 -12.468) 13.600 13.569 ( 4.341 -2.030 -3.923) 6.193 13.685 ( -0.997 4.160 2.857) 5.144 14.173 ( -5.742 10.184 -4.670) 12.589 14.302 ( 1.649 2.829 2.329) 4.019 14.953 ( 0.551 6.601 0.564) 6.648 15.404 ( 17.179 3.616 2.639) 17.753 15.637 ( 13.211 4.965 -0.056) 14.113 16.077 ( -16.928 -16.813 3.880) 24.172 16.264 ( -11.569 -3.673 -0.942) 12.174 18.014 ( -1.994 4.024 4.632) 6.452 18.132 ( -3.176 7.665 -5.369) 9.882 18.771 ( 0.842 -4.240 0.191) 4.327 18.872 ( 5.278 -1.675 -1.209) 5.668 ======================= Grid point 276 (132/141) ======================= q-point: ( 0.60 -0.40 0.40) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.934 ( 5.446 -0.000 6.320) 8.343 3.176 ( -4.331 0.000 6.688) 7.968 3.358 ( 11.220 -0.000 -11.058) 15.753 3.366 ( 0.422 -0.000 -1.853) 1.900 3.647 ( 4.028 -0.000 -1.226) 4.211 3.688 ( 4.123 -0.000 0.113) 4.125 3.896 ( 4.953 -0.000 0.864) 5.028 3.977 ( 3.863 -0.000 3.105) 4.956 4.159 ( -6.273 0.000 6.203) 8.822 4.180 ( -4.211 0.000 -1.888) 4.615 4.322 ( -5.830 0.000 -1.987) 6.160 4.483 ( -2.408 0.000 -3.324) 4.105 4.584 ( -7.734 0.000 1.645) 7.907 4.787 ( -4.490 0.000 -1.417) 4.709 4.883 ( -1.146 0.000 2.236) 2.513 5.346 ( 1.228 -0.000 -2.872) 3.124 5.351 ( 3.522 -0.000 0.570) 3.568 5.481 ( -2.997 0.000 -3.801) 4.840 5.771 ( -14.012 0.000 0.511) 14.021 5.963 ( -2.545 0.000 -2.086) 3.291 5.967 ( 1.348 -0.000 6.084) 6.231 6.004 ( 4.687 -0.000 -8.137) 9.391 6.528 ( -3.871 0.000 12.585) 13.167 6.531 ( 1.895 -0.000 1.114) 2.198 6.748 ( -2.050 0.000 8.982) 9.213 6.833 ( 3.486 -0.000 -18.858) 19.177 6.986 ( 8.204 -0.000 -4.296) 9.261 7.198 ( -0.138 0.000 12.996) 12.997 7.244 ( -3.713 0.000 -0.092) 3.714 7.373 ( 10.309 -0.000 -2.415) 10.588 8.013 ( 10.467 -0.000 -10.968) 15.161 8.102 ( 12.932 -0.000 -5.122) 13.909 8.132 ( 11.347 -0.000 4.065) 12.053 8.337 ( 9.665 -0.000 3.043) 10.132 8.572 ( 8.487 -0.000 0.746) 8.520 8.589 ( -0.375 0.000 -1.430) 1.478 8.893 ( -10.951 0.000 6.598) 12.785 8.929 ( -2.614 0.000 1.485) 3.006 8.934 ( 10.748 -0.000 0.355) 10.754 9.079 ( 1.521 -0.000 -1.038) 1.841 9.091 ( -7.989 0.000 -1.785) 8.186 9.451 ( 9.476 -0.000 -3.200) 10.002 9.757 ( -0.856 0.000 7.341) 7.391 10.015 ( 3.538 -0.000 -0.623) 3.592 10.105 ( -9.800 0.000 3.729) 10.485 10.374 ( -6.918 0.000 -3.623) 7.810 10.624 ( -19.053 0.000 -1.344) 19.100 10.647 ( -21.475 0.000 -0.087) 21.475 11.540 ( -3.392 0.000 3.960) 5.215 11.554 ( -0.523 0.000 -3.251) 3.293 11.897 ( -0.093 0.000 -0.638) 0.645 11.991 ( 1.400 -0.000 1.253) 1.879 12.161 ( -14.837 0.000 -4.200) 15.420 12.253 ( -17.302 0.000 5.464) 18.145 12.562 ( 7.338 -0.000 -0.224) 7.341 12.564 ( 9.311 -0.000 -1.137) 9.380 13.253 ( -3.420 0.000 1.091) 3.590 13.392 ( 5.057 -0.000 -18.361) 19.045 13.471 ( 3.122 -0.000 13.763) 14.112 13.493 ( -3.233 0.000 8.495) 9.089 13.628 ( 0.645 -0.000 -10.288) 10.308 14.186 ( 12.898 -0.000 15.040) 19.813 14.522 ( 3.746 -0.000 -16.904) 17.314 14.944 ( 15.127 -0.000 -4.756) 15.857 15.563 ( -9.528 0.000 -2.082) 9.753 15.625 ( -6.060 0.000 6.164) 8.643 15.833 ( -5.533 0.000 7.342) 9.194 16.202 ( 1.433 -0.000 -0.335) 1.472 18.283 ( 1.946 -0.000 4.629) 5.021 18.409 ( 2.679 -0.000 -0.312) 2.697 18.529 ( 0.205 -0.000 -2.889) 2.896 18.662 ( 1.414 -0.000 -3.253) 3.547 ======================= Grid point 278 (133/141) ======================= q-point: (-0.30 0.60 -0.60) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.025 ( 2.579 4.169 0.134) 4.904 3.102 ( -2.125 0.849 4.573) 5.113 3.327 ( 2.022 7.989 3.285) 8.871 3.483 ( 7.575 6.877 -8.501) 13.302 3.670 ( -2.298 0.868 1.271) 2.766 3.719 ( 3.849 2.234 -2.344) 5.030 3.973 ( -3.015 -1.879 -1.467) 3.844 4.027 ( -2.333 0.557 5.322) 5.838 4.068 ( -3.423 0.904 -0.787) 3.627 4.132 ( 0.776 -2.935 -2.538) 3.957 4.267 ( -0.737 -4.496 6.165) 7.666 4.438 ( -3.699 -5.939 -2.887) 7.569 4.490 ( -2.920 -0.582 0.920) 3.117 4.733 ( -2.254 -3.174 -1.675) 4.238 4.937 ( 7.163 1.986 1.354) 7.556 5.340 ( -1.754 -0.157 -0.518) 1.836 5.390 ( 1.545 3.206 -2.245) 4.208 5.482 ( 4.293 -5.059 0.572) 6.659 5.608 ( -7.481 -9.548 0.521) 12.142 5.922 ( -0.022 1.217 -4.412) 4.577 6.020 ( 0.665 0.854 3.912) 4.059 6.081 ( 4.895 -0.153 -7.554) 9.003 6.487 ( -4.905 -0.316 10.820) 11.884 6.564 ( 1.206 0.348 0.414) 1.322 6.709 ( -4.734 1.411 5.670) 7.520 6.814 ( 1.597 0.170 -13.947) 14.039 7.010 ( -0.561 1.659 -10.169) 10.319 7.212 ( 0.528 3.631 7.295) 8.165 7.243 ( 1.251 2.078 10.739) 11.010 7.523 ( 8.085 3.097 0.921) 8.706 8.034 ( 5.739 9.803 -9.625) 14.889 8.212 ( 2.989 13.131 4.856) 14.315 8.296 ( -1.457 -8.796 -7.090) 11.391 8.530 ( -8.569 -4.406 3.871) 10.384 8.612 ( 2.635 -2.994 0.301) 4.000 8.686 ( 1.808 -0.828 1.636) 2.575 8.733 ( 5.939 0.338 1.086) 6.047 8.939 ( -5.091 -5.227 0.741) 7.334 8.972 ( 6.677 1.024 -1.113) 6.846 9.096 ( 2.033 -2.936 0.195) 3.576 9.152 ( 1.096 -4.216 1.057) 4.483 9.624 ( 5.226 2.418 -3.842) 6.922 9.791 ( 3.138 3.248 4.830) 6.613 9.854 ( -6.502 6.957 3.649) 10.198 10.106 ( 2.000 3.334 0.286) 3.898 10.216 ( -1.062 -0.849 -0.912) 1.637 10.372 ( -13.698 -17.192 -1.520) 22.035 10.436 ( -12.172 -13.491 -1.169) 18.208 11.483 ( -1.680 2.142 2.943) 4.009 11.551 ( -0.169 -1.217 -2.907) 3.156 11.937 ( 1.202 -3.231 0.341) 3.464 11.948 ( -5.177 0.492 1.249) 5.348 12.034 ( -6.675 -0.435 1.628) 6.884 12.096 ( 4.983 -5.914 -0.497) 7.749 12.619 ( 4.518 8.286 -0.107) 9.438 12.713 ( 5.319 0.334 -1.464) 5.527 13.166 ( -3.468 3.227 -0.765) 4.799 13.403 ( -0.847 0.530 -0.760) 1.255 13.411 ( 2.073 6.224 -0.039) 6.560 13.559 ( -1.583 1.140 -9.085) 9.292 13.634 ( 0.372 -5.683 8.962) 10.618 14.295 ( -0.526 0.460 -7.889) 7.920 14.660 ( 13.572 7.622 5.554) 16.527 15.174 ( 11.270 2.094 -3.945) 12.123 15.248 ( -5.540 13.433 0.091) 14.531 15.628 ( -5.507 -9.093 -5.592) 12.012 15.772 ( -8.225 -7.375 12.170) 16.436 16.240 ( -0.803 -3.808 0.496) 3.923 18.269 ( 0.627 9.873 5.016) 11.092 18.465 ( 1.684 3.981 -4.378) 6.153 18.530 ( -0.607 -6.215 0.554) 6.269 18.673 ( 0.096 -4.758 -2.914) 5.580 ======================= Grid point 279 (134/141) ======================= q-point: (-0.20 -0.40 0.40) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.883 ( -8.584 4.532 2.985) 10.156 3.175 ( 2.390 -4.314 -0.057) 4.932 3.322 ( 2.789 4.903 4.530) 7.235 3.421 ( 0.923 10.930 -9.433) 14.467 3.594 ( -6.215 -1.040 2.489) 6.775 3.747 ( 0.600 2.008 -4.796) 5.234 3.826 ( -10.459 -1.041 1.297) 10.591 3.960 ( -3.225 -0.352 2.095) 3.862 4.035 ( 1.593 4.632 0.317) 4.909 4.201 ( 2.800 -1.822 -3.645) 4.944 4.362 ( -0.316 -6.968 5.774) 9.055 4.463 ( 2.566 -2.178 -0.964) 3.501 4.533 ( 5.006 -2.761 -0.760) 5.767 4.765 ( 1.667 -5.702 -2.293) 6.368 5.072 ( 8.707 2.984 2.701) 9.593 5.314 ( -2.098 -3.234 1.156) 4.024 5.405 ( 1.901 -0.414 -1.753) 2.619 5.645 ( 6.605 -3.994 3.712) 8.565 5.691 ( 0.735 -11.959 -2.016) 12.150 5.865 ( -4.454 -3.138 -2.658) 6.062 6.023 ( 1.367 2.191 3.701) 4.513 6.122 ( 1.524 -1.483 -6.300) 6.650 6.443 ( -2.874 -0.182 3.427) 4.476 6.542 ( -0.157 3.234 -4.046) 5.182 6.604 ( -6.382 0.680 4.988) 8.128 6.816 ( 1.309 0.362 -4.521) 4.721 6.955 ( -0.713 0.664 -7.475) 7.538 7.156 ( -4.886 4.250 2.980) 7.129 7.248 ( -0.043 5.329 8.769) 10.261 7.604 ( 3.305 2.523 1.939) 4.588 7.897 ( -7.814 10.639 2.401) 13.417 8.092 ( -3.888 1.315 -4.231) 5.895 8.202 ( -6.628 3.593 -1.225) 7.638 8.388 ( -0.865 9.298 3.379) 9.931 8.602 ( -0.145 1.694 -3.252) 3.670 8.762 ( 1.985 -4.642 -2.429) 5.602 8.906 ( 4.514 0.290 3.422) 5.672 8.985 ( 5.886 1.422 -1.641) 6.274 9.014 ( -2.467 2.177 1.439) 3.591 9.144 ( 0.742 -4.248 -1.109) 4.452 9.170 ( -2.551 -4.697 0.516) 5.370 9.570 ( -0.607 2.131 -0.446) 2.261 9.639 ( -3.472 4.261 0.670) 5.537 9.919 ( -2.388 -5.092 3.805) 6.790 10.096 ( -0.917 -1.123 -0.806) 1.659 10.307 ( -1.234 -5.407 -1.785) 5.826 10.468 ( 8.538 -14.123 1.406) 16.563 10.594 ( 10.601 -20.191 -1.942) 22.888 11.474 ( 0.575 -0.009 2.775) 2.833 11.560 ( 1.128 -1.163 -2.636) 3.094 11.888 ( -1.430 1.486 3.432) 4.004 11.957 ( 1.625 -0.330 0.210) 1.671 12.109 ( 4.935 -9.345 -0.237) 10.570 12.312 ( 6.968 -12.820 0.802) 14.613 12.555 ( 2.516 15.598 0.251) 15.802 12.727 ( 3.511 9.597 -1.024) 10.270 13.072 ( -2.314 4.324 -2.535) 5.520 13.305 ( -4.437 7.464 11.095) 14.089 13.422 ( -3.608 1.647 -8.810) 9.662 13.502 ( 2.650 -2.596 -7.014) 7.934 13.694 ( -1.615 -3.050 4.536) 5.700 14.223 ( -2.687 -0.638 -14.915) 15.168 14.602 ( -5.017 20.233 12.220) 24.164 15.104 ( -0.465 7.634 0.652) 7.676 15.405 ( 12.377 -3.598 -2.712) 13.171 15.642 ( -4.029 -13.538 -2.476) 14.340 15.752 ( -3.279 -4.509 7.491) 9.338 16.242 ( -0.304 0.865 0.576) 1.083 18.148 ( -4.560 9.187 3.907) 10.976 18.335 ( -2.492 11.200 -4.611) 12.366 18.621 ( -0.641 -9.888 0.089) 9.909 18.772 ( 3.449 -7.668 -1.443) 8.531 ======================= Grid point 280 (135/141) ======================= q-point: (-0.10 -0.40 0.40) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.713 ( -10.664 -2.552 9.490) 14.502 3.201 ( -7.974 -9.805 -2.697) 12.923 3.266 ( -1.152 7.100 -10.431) 12.671 3.344 ( -0.885 2.451 1.412) 2.964 3.452 ( -11.601 0.133 -0.094) 11.602 3.670 ( -3.844 -2.898 0.144) 4.816 3.732 ( -5.185 -4.469 0.103) 6.846 3.956 ( 1.832 1.057 0.145) 2.120 4.033 ( 5.281 5.926 -0.117) 7.939 4.246 ( 3.211 1.469 -1.552) 3.857 4.411 ( -1.750 -4.267 2.508) 5.250 4.544 ( 3.904 -0.239 -1.708) 4.268 4.643 ( 7.277 2.294 -2.245) 7.953 4.900 ( 5.909 -5.658 2.165) 8.463 5.127 ( 0.376 5.673 0.024) 5.686 5.338 ( -3.189 -5.330 2.416) 6.665 5.432 ( -2.820 -5.186 -0.075) 5.903 5.586 ( -13.717 -5.425 1.203) 14.800 5.809 ( 1.595 -4.282 6.459) 7.912 5.960 ( 5.270 0.268 -4.384) 6.860 6.112 ( 5.653 -6.929 0.271) 8.946 6.153 ( 2.160 -7.030 -4.154) 8.447 6.409 ( -0.037 -0.182 -1.569) 1.580 6.477 ( -1.461 6.340 -1.182) 6.613 6.576 ( 1.318 -3.926 2.389) 4.781 6.766 ( -2.418 6.849 -0.192) 7.266 6.918 ( -0.557 -0.892 -7.667) 7.739 6.996 ( -5.726 4.926 2.483) 7.951 7.209 ( -0.551 3.808 4.068) 5.599 7.543 ( -8.828 1.115 8.834) 12.539 7.775 ( 4.119 7.617 -1.437) 8.778 7.964 ( -5.365 -2.366 -0.289) 5.870 8.171 ( 7.138 4.230 -5.826) 10.139 8.318 ( 6.565 15.989 4.460) 17.850 8.611 ( 0.971 -3.100 -2.026) 3.828 8.758 ( -1.923 -0.312 -2.657) 3.294 8.863 ( -3.287 5.209 -0.406) 6.173 9.004 ( 3.987 0.411 1.500) 4.280 9.064 ( 1.862 3.522 -0.289) 3.995 9.181 ( 0.816 -2.644 0.934) 2.920 9.207 ( 1.249 -2.826 -0.389) 3.114 9.554 ( -1.041 2.311 -0.272) 2.550 9.614 ( 2.219 -1.303 0.622) 2.647 9.939 ( -3.980 -9.178 2.603) 10.336 10.094 ( 0.803 0.184 -1.197) 1.453 10.275 ( -6.761 -6.441 -1.191) 9.414 10.846 ( 15.089 -10.474 -1.075) 18.400 11.028 ( 15.010 -16.160 -0.083) 22.056 11.491 ( -0.361 -0.940 0.934) 1.373 11.600 ( 1.330 -1.764 0.459) 2.256 11.866 ( 0.984 4.048 2.228) 4.725 12.034 ( 3.822 -2.578 0.806) 4.680 12.270 ( -1.074 -6.753 -1.956) 7.112 12.373 ( -5.138 9.602 1.144) 10.950 12.549 ( 10.241 6.825 4.519) 13.110 12.746 ( 10.022 3.810 -1.366) 10.809 12.980 ( -2.297 2.745 -2.658) 4.458 13.155 ( -7.105 7.185 9.378) 13.786 13.284 ( -3.236 2.144 -11.520) 12.157 13.553 ( -2.242 -3.232 2.156) 4.486 13.679 ( -1.211 -0.893 -5.274) 5.484 14.104 ( -5.856 1.941 -8.621) 10.601 14.366 ( -4.778 9.990 9.122) 14.347 14.974 ( -5.161 5.368 -0.488) 7.462 15.502 ( -9.131 -8.525 -0.591) 12.506 15.627 ( -14.630 -15.680 2.344) 21.573 15.980 ( 24.287 4.417 2.334) 24.795 16.260 ( 8.255 7.402 0.053) 11.088 17.958 ( -9.683 3.236 3.430) 10.770 18.194 ( 1.321 9.362 -4.304) 10.388 18.696 ( -1.836 -8.013 1.891) 8.436 18.895 ( 2.336 -5.854 -3.491) 7.205 ======================= Grid point 288 (136/141) ======================= q-point: (-0.30 -0.30 0.40) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.982 ( -9.641 0.000 1.824) 9.812 3.072 ( -3.267 0.000 -3.144) 4.534 3.386 ( -0.571 0.000 5.170) 5.201 3.520 ( -4.790 0.000 -0.885) 4.871 3.644 ( -2.556 0.000 1.339) 2.886 3.672 ( -6.326 0.000 -3.693) 7.325 3.880 ( -6.596 0.000 -6.810) 9.480 3.950 ( -3.883 0.000 3.362) 5.136 4.091 ( 1.253 -0.000 -0.175) 1.265 4.163 ( 4.349 -0.000 -2.403) 4.968 4.303 ( 4.905 -0.000 8.263) 9.609 4.408 ( 4.577 -0.000 -1.504) 4.817 4.509 ( 6.331 -0.000 -1.363) 6.476 4.701 ( 1.372 -0.000 -1.293) 1.885 5.104 ( 9.138 -0.000 1.396) 9.244 5.268 ( -2.912 0.000 0.691) 2.992 5.414 ( -3.749 0.000 -1.713) 4.121 5.543 ( 8.389 -0.000 -1.419) 8.508 5.604 ( 7.452 -0.000 4.962) 8.953 5.835 ( -6.549 0.000 -2.637) 7.060 6.051 ( -1.680 0.000 4.114) 4.444 6.108 ( 1.823 -0.000 -11.169) 11.317 6.453 ( -1.599 0.000 6.769) 6.956 6.559 ( -4.031 0.000 0.005) 4.031 6.633 ( -2.928 0.000 2.850) 4.086 6.803 ( 1.272 -0.000 -8.599) 8.693 6.960 ( -1.749 0.000 -6.340) 6.576 7.190 ( -6.400 0.000 1.132) 6.500 7.312 ( -0.482 0.000 9.633) 9.645 7.623 ( -0.384 0.000 5.785) 5.798 8.053 ( -14.688 0.000 7.918) 16.687 8.097 ( -9.419 0.000 -4.502) 10.440 8.240 ( 5.723 -0.000 -7.674) 9.573 8.495 ( 1.774 -0.000 -4.981) 5.288 8.668 ( 0.962 -0.000 1.200) 1.538 8.785 ( 0.409 -0.000 0.137) 0.432 8.839 ( 8.354 -0.000 0.645) 8.379 8.909 ( 7.953 -0.000 4.429) 9.103 9.050 ( -1.648 0.000 0.602) 1.755 9.118 ( 8.017 -0.000 -4.401) 9.145 9.137 ( -1.561 0.000 1.937) 2.487 9.636 ( -3.625 0.000 -4.440) 5.732 9.737 ( -7.703 0.000 3.082) 8.297 9.795 ( -8.599 0.000 5.890) 10.423 10.019 ( -8.507 0.000 -0.889) 8.553 10.214 ( -1.949 0.000 -3.301) 3.833 10.338 ( 18.348 -0.000 1.429) 18.403 10.410 ( 17.158 -0.000 -0.469) 17.164 11.475 ( -0.751 0.000 1.957) 2.097 11.547 ( 0.872 -0.000 -2.998) 3.122 11.928 ( 1.045 -0.000 0.904) 1.382 11.934 ( 3.377 -0.000 2.357) 4.118 12.045 ( 3.887 -0.000 1.301) 4.099 12.122 ( 2.846 -0.000 -0.800) 2.957 12.772 ( 5.437 -0.000 -1.024) 5.532 12.800 ( 5.557 -0.000 -0.010) 5.557 13.122 ( -3.128 0.000 -0.171) 3.133 13.374 ( -2.968 0.000 0.573) 3.023 13.421 ( -2.512 0.000 -3.489) 4.299 13.532 ( -3.893 0.000 4.639) 6.056 13.614 ( 1.401 -0.000 -1.653) 2.167 14.215 ( -3.220 0.000 -15.236) 15.572 14.921 ( -1.548 0.000 16.581) 16.653 15.228 ( -3.402 0.000 -0.954) 3.533 15.291 ( -1.962 0.000 -4.828) 5.211 15.375 ( -3.983 0.000 0.727) 4.049 15.752 ( 6.670 -0.000 1.631) 6.867 16.258 ( 3.804 -0.000 1.584) 4.120 18.348 ( -9.928 0.000 0.299) 9.933 18.412 ( 2.884 -0.000 2.671) 3.931 18.552 ( 1.673 -0.000 -1.638) 2.342 18.595 ( -0.843 0.000 -3.632) 3.728 ======================= Grid point 289 (137/141) ======================= q-point: (-0.20 -0.30 0.40) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.733 ( -14.662 4.120 6.464) 16.545 2.956 ( -15.339 -10.640 -2.473) 18.831 3.362 ( -4.026 2.620 2.963) 5.644 3.406 ( -6.451 -0.857 2.555) 6.991 3.472 ( -8.943 3.453 -7.301) 12.050 3.632 ( -3.566 -3.962 0.844) 5.396 3.671 ( -10.514 2.353 -6.861) 12.774 3.960 ( 2.594 -0.689 1.395) 3.025 4.105 ( 1.562 0.152 -3.206) 3.569 4.232 ( 3.117 -1.292 -2.382) 4.130 4.411 ( 5.115 3.401 8.025) 10.106 4.509 ( 3.251 -2.475 -3.226) 5.206 4.684 ( 12.670 1.430 -2.557) 13.004 4.797 ( 7.432 -3.532 2.658) 8.647 5.206 ( -5.973 -0.699 1.989) 6.334 5.241 ( 1.286 -0.491 0.953) 1.674 5.337 ( -7.705 -2.883 -0.246) 8.230 5.489 ( -13.970 -2.668 -0.249) 14.225 5.773 ( 6.932 -0.333 6.736) 9.672 5.917 ( 14.224 -3.158 -0.666) 14.586 6.001 ( -1.799 -1.138 -1.786) 2.778 6.101 ( 1.097 -1.086 -10.361) 10.475 6.440 ( -0.883 2.321 2.303) 3.387 6.499 ( -2.519 -2.858 4.730) 6.073 6.608 ( 2.166 4.589 -2.243) 5.548 6.802 ( -0.346 -1.244 -2.622) 2.923 6.913 ( -1.299 0.044 -5.519) 5.670 7.040 ( -6.784 0.398 -0.805) 6.843 7.288 ( -2.415 2.549 6.909) 7.750 7.559 ( -7.583 0.296 9.329) 12.026 7.904 ( -3.336 3.647 1.872) 5.285 7.939 ( -4.340 -0.630 0.835) 4.464 8.294 ( 5.968 5.644 -6.643) 10.563 8.515 ( 2.716 0.733 -2.074) 3.495 8.663 ( 0.918 3.514 -0.383) 3.652 8.737 ( 1.519 4.107 -1.649) 4.678 8.958 ( -2.282 1.402 -1.231) 2.948 8.999 ( 4.080 -1.448 3.432) 5.525 9.126 ( -0.035 -1.783 2.453) 3.033 9.142 ( 7.409 -1.586 1.012) 7.644 9.201 ( 5.798 8.586 -2.690) 10.704 9.568 ( 0.161 -4.268 -3.718) 5.663 9.626 ( -3.218 4.639 0.765) 5.697 9.724 ( -5.812 -7.943 4.133) 10.675 9.996 ( -2.229 -10.002 -1.360) 10.337 10.165 ( -1.940 -0.570 -0.314) 2.046 10.727 ( 19.264 -1.327 -1.215) 19.348 10.780 ( 20.036 -6.963 0.548) 21.218 11.477 ( -0.033 -0.265 0.828) 0.870 11.558 ( 0.511 -1.617 -1.133) 2.040 11.946 ( 2.615 3.219 1.456) 4.395 12.063 ( 0.707 3.509 -0.241) 3.588 12.097 ( 9.886 -4.355 1.543) 10.913 12.270 ( 4.431 -11.155 1.760) 12.131 12.805 ( 7.235 11.396 -0.593) 13.511 12.894 ( 6.191 4.548 0.028) 7.682 13.045 ( -4.065 2.248 -1.826) 4.991 13.276 ( -8.231 2.557 9.207) 12.612 13.335 ( -4.750 1.582 -9.065) 10.356 13.486 ( -1.976 -0.836 4.428) 4.920 13.630 ( -1.630 -3.227 -4.741) 5.962 14.096 ( -5.891 -0.986 -13.193) 14.483 14.683 ( -11.484 16.498 12.398) 23.617 15.097 ( -8.054 5.612 -1.533) 9.935 15.240 ( -14.028 -15.999 7.722) 22.635 15.356 ( -5.795 -7.627 -7.218) 11.994 16.057 ( 25.530 2.204 2.038) 25.706 16.369 ( 9.732 2.856 0.797) 10.174 18.069 ( -15.021 5.665 2.503) 16.247 18.422 ( 0.041 10.858 -3.048) 11.278 18.523 ( 0.473 -5.390 0.704) 5.456 18.705 ( 1.362 -11.892 -3.331) 12.424 ======================= Grid point 290 (138/141) ======================= q-point: (-0.10 -0.30 0.40) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.489 ( -14.997 -3.387 15.635) 21.928 2.746 ( -22.350 -16.392 0.661) 27.725 3.136 ( -19.121 1.778 -4.812) 19.797 3.260 ( -5.637 1.612 -9.039) 10.774 3.305 ( -5.858 1.509 -7.379) 9.542 3.547 ( -4.137 -6.907 1.534) 8.196 3.615 ( -2.790 -2.635 1.921) 4.292 3.984 ( -1.721 0.315 0.575) 1.842 4.161 ( 4.763 -1.618 -3.821) 6.317 4.288 ( 1.116 -3.440 -2.102) 4.183 4.452 ( 1.639 5.132 5.043) 7.380 4.533 ( -0.933 -1.194 -3.766) 4.059 4.769 ( -13.310 -0.216 5.759) 14.504 4.978 ( -12.533 -6.959 -1.707) 14.437 5.010 ( 9.029 -3.219 3.654) 10.258 5.090 ( -17.357 -0.430 4.897) 18.040 5.178 ( -7.083 1.056 -6.256) 9.509 5.432 ( -1.362 -6.806 -1.858) 7.186 5.785 ( -3.802 0.727 6.402) 7.481 6.077 ( 4.018 0.677 -5.322) 6.702 6.119 ( 6.872 -1.382 -3.141) 7.681 6.243 ( 14.556 -3.078 -3.049) 15.187 6.435 ( 2.599 1.772 2.565) 4.058 6.539 ( 4.318 0.366 5.511) 7.011 6.661 ( 10.429 2.775 -3.591) 11.374 6.849 ( 7.054 1.062 0.305) 7.140 6.892 ( 2.168 0.581 -5.574) 6.009 7.005 ( 3.486 1.801 0.155) 3.926 7.248 ( -0.227 3.937 4.533) 6.008 7.446 ( -6.911 1.695 7.919) 10.646 7.834 ( -0.053 3.144 0.973) 3.291 7.952 ( 1.809 -1.270 0.637) 2.301 8.356 ( 9.601 2.738 -5.743) 11.518 8.564 ( 3.200 0.288 1.230) 3.440 8.658 ( 4.898 5.941 -1.345) 7.816 8.745 ( 2.614 1.203 -1.193) 3.116 8.896 ( 1.538 5.068 -0.979) 5.386 9.026 ( -3.438 3.952 0.037) 5.238 9.138 ( 2.279 0.795 1.579) 2.884 9.188 ( 1.657 2.466 0.063) 2.972 9.267 ( 4.857 1.039 2.184) 5.426 9.519 ( -3.677 0.917 -2.711) 4.659 9.704 ( 6.590 -5.433 -2.492) 8.898 9.746 ( -2.570 -6.640 3.248) 7.826 10.067 ( -1.507 -9.314 -1.314) 9.526 10.158 ( 1.825 1.585 0.213) 2.427 11.043 ( 13.579 -4.349 -2.502) 14.477 11.197 ( 15.070 -10.185 1.794) 18.277 11.476 ( -0.325 -0.077 0.647) 0.728 11.590 ( 0.080 -2.524 0.540) 2.582 11.964 ( 2.814 3.260 2.131) 4.805 12.021 ( -1.732 2.207 -0.913) 2.950 12.309 ( 5.087 0.105 2.252) 5.564 12.386 ( 5.166 4.589 -0.501) 6.928 12.833 ( 5.972 9.708 1.057) 11.446 12.890 ( -3.868 4.997 0.706) 6.359 12.975 ( 3.998 2.018 -2.760) 5.261 13.116 ( -6.632 4.681 9.358) 12.388 13.189 ( -5.422 0.699 -10.211) 11.583 13.461 ( -5.211 -2.291 2.723) 6.310 13.578 ( -6.037 -3.443 -7.282) 10.066 13.935 ( -10.608 -3.339 -5.640) 12.470 14.395 ( -7.500 11.418 10.226) 17.065 14.883 ( -9.299 3.028 -0.683) 9.804 15.148 ( -14.684 -12.243 5.075) 19.780 15.250 ( -12.922 -9.747 -5.922) 17.235 16.516 ( 26.209 5.664 0.489) 26.818 16.546 ( 15.331 5.162 0.752) 16.194 17.779 ( -13.372 0.651 6.449) 14.861 18.309 ( 1.565 9.423 -5.255) 10.902 18.583 ( -2.057 -7.057 1.581) 7.518 18.813 ( -0.710 -9.541 -6.508) 11.571 ======================= Grid point 299 (139/141) ======================= q-point: (-0.20 -0.20 0.40) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.505 ( -17.399 0.000 16.082) 23.693 2.512 ( -24.764 0.000 -0.034) 24.764 3.171 ( -16.862 0.000 -0.811) 16.881 3.239 ( -12.575 0.000 -16.915) 21.078 3.364 ( -2.371 0.000 6.040) 6.489 3.437 ( -9.874 0.000 -7.776) 12.568 3.616 ( -0.531 0.000 1.639) 1.723 3.988 ( -2.669 0.000 1.167) 2.913 4.093 ( -0.576 0.000 -5.415) 5.445 4.266 ( 0.315 -0.000 -0.840) 0.897 4.490 ( -1.284 0.000 -6.578) 6.702 4.544 ( -0.655 0.000 6.868) 6.899 4.750 ( -24.545 0.000 10.638) 26.751 4.929 ( -0.181 0.000 -5.184) 5.187 4.962 ( 10.352 -0.000 4.591) 11.324 5.059 ( -19.925 0.000 1.790) 20.005 5.248 ( -3.476 0.000 -6.934) 7.757 5.332 ( 0.201 -0.000 -0.542) 0.578 5.798 ( -3.852 0.000 8.366) 9.210 6.065 ( 0.380 -0.000 -9.002) 9.010 6.125 ( 14.664 -0.000 -1.922) 14.789 6.205 ( 15.806 -0.000 -3.459) 16.180 6.473 ( 2.390 -0.000 2.952) 3.798 6.507 ( 6.103 -0.000 5.085) 7.944 6.731 ( 9.970 -0.000 -2.495) 10.278 6.832 ( 6.360 -0.000 1.269) 6.486 6.903 ( 2.161 -0.000 -4.453) 4.950 7.017 ( 5.001 -0.000 -2.152) 5.445 7.294 ( -0.059 0.000 5.724) 5.725 7.463 ( -6.193 0.000 7.429) 9.672 7.878 ( -0.128 0.000 2.533) 2.536 7.929 ( 1.022 -0.000 -0.612) 1.192 8.397 ( 4.186 -0.000 -2.046) 4.659 8.535 ( 1.507 -0.000 -2.885) 3.255 8.691 ( 2.601 -0.000 -0.149) 2.605 8.810 ( 2.108 -0.000 -1.547) 2.614 8.970 ( 1.809 -0.000 -2.904) 3.422 9.065 ( 3.054 -0.000 3.255) 4.463 9.096 ( -2.565 0.000 0.824) 2.694 9.269 ( 6.089 -0.000 3.593) 7.070 9.388 ( 5.657 -0.000 -1.692) 5.905 9.445 ( -2.482 0.000 -6.225) 6.702 9.571 ( -5.735 0.000 2.561) 6.280 9.736 ( 6.887 -0.000 1.631) 7.077 9.926 ( 1.333 -0.000 -1.511) 2.015 10.176 ( 2.694 -0.000 -0.564) 2.752 11.033 ( 14.410 -0.000 0.173) 14.411 11.055 ( 14.053 -0.000 -0.833) 14.077 11.486 ( 0.877 -0.000 0.710) 1.128 11.547 ( -0.082 0.000 0.235) 0.249 11.988 ( 1.001 -0.000 0.357) 1.063 12.081 ( 0.673 -0.000 1.349) 1.508 12.287 ( 9.423 -0.000 -1.338) 9.518 12.373 ( 12.825 -0.000 3.119) 13.199 12.938 ( -7.220 0.000 -0.472) 7.235 12.968 ( 2.919 -0.000 -0.477) 2.958 13.049 ( 6.781 -0.000 -0.889) 6.839 13.147 ( -8.550 0.000 7.941) 11.669 13.213 ( -7.096 0.000 -8.452) 11.036 13.446 ( -4.108 0.000 4.938) 6.423 13.523 ( -7.436 0.000 -6.793) 10.072 13.893 ( -13.005 0.000 -8.269) 15.411 14.593 ( -12.511 0.000 12.769) 17.876 14.935 ( -11.726 0.000 -1.624) 11.838 14.945 ( -11.173 0.000 5.650) 12.520 15.132 ( -11.056 0.000 -7.588) 13.410 16.577 ( 28.917 -0.000 0.203) 28.918 16.599 ( 13.433 -0.000 1.009) 13.471 17.799 ( -17.210 0.000 6.925) 18.551 18.466 ( -0.315 0.000 -2.240) 2.262 18.560 ( -1.265 0.000 -0.884) 1.544 18.587 ( 0.877 -0.000 -8.338) 8.384 ======================= Grid point 300 (140/141) ======================= q-point: (-0.10 -0.20 0.40) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.098 ( -27.277 -13.200 5.132) 30.735 2.281 ( -17.124 -3.076 26.260) 31.501 2.747 ( -24.724 5.056 -10.194) 27.217 2.997 ( -12.746 -9.057 -21.667) 26.720 3.243 ( -4.244 5.094 -0.654) 6.662 3.407 ( -2.957 -8.478 2.845) 9.419 3.581 ( -3.413 1.788 0.240) 3.860 3.831 ( -24.665 -3.256 -2.443) 24.999 3.902 ( -38.234 -9.383 5.008) 39.685 3.957 ( -16.636 -7.184 -2.285) 18.264 4.386 ( 0.494 0.705 3.762) 3.859 4.461 ( -1.584 -0.125 -2.041) 2.587 4.683 ( 2.861 4.300 4.633) 6.938 4.760 ( -8.157 1.463 -1.999) 8.525 4.847 ( -7.472 -1.891 -1.799) 7.914 5.049 ( -4.098 -1.070 -9.700) 10.584 5.260 ( 10.720 0.625 4.595) 11.680 5.473 ( 11.824 0.551 -1.665) 11.953 5.768 ( -1.972 0.542 7.677) 7.945 6.035 ( -1.147 -0.657 -7.503) 7.618 6.327 ( 8.528 3.403 -0.294) 9.187 6.409 ( 6.895 -3.373 -1.162) 7.763 6.571 ( 5.441 1.273 4.200) 6.990 6.717 ( 14.185 0.823 3.465) 14.625 6.889 ( 5.236 0.577 -5.040) 7.290 7.005 ( 18.344 5.288 -1.573) 19.155 7.052 ( 14.458 -0.545 0.103) 14.468 7.212 ( 17.373 1.196 -1.592) 17.487 7.335 ( 5.294 2.817 4.144) 7.290 7.382 ( -3.849 2.008 5.201) 6.774 7.898 ( 2.715 3.630 2.046) 4.973 7.967 ( 2.176 -1.921 -0.257) 2.915 8.486 ( 6.663 -3.053 -1.375) 7.457 8.580 ( 2.194 -2.998 0.505) 3.749 8.732 ( 2.105 0.869 -0.285) 2.295 8.825 ( 1.407 0.833 -1.916) 2.519 8.952 ( -3.108 2.829 1.271) 4.391 9.044 ( 2.735 5.188 -4.528) 7.409 9.105 ( -2.736 -3.748 2.489) 5.265 9.325 ( 0.819 10.002 -1.498) 10.146 9.383 ( 5.994 2.460 5.546) 8.529 9.429 ( -4.604 -0.447 -4.435) 6.409 9.576 ( -0.636 -9.455 0.045) 9.477 9.869 ( 5.864 -0.531 -1.755) 6.144 10.009 ( 5.180 -3.572 0.763) 6.338 10.243 ( 5.153 1.156 -0.444) 5.300 11.186 ( 4.577 0.112 -0.947) 4.676 11.291 ( 6.444 -7.558 1.667) 10.070 11.499 ( 1.244 1.606 0.489) 2.090 11.564 ( -0.326 -1.937 0.467) 2.019 12.041 ( 6.354 1.467 0.628) 6.551 12.110 ( 5.719 3.796 -0.343) 6.872 12.430 ( 6.101 3.314 -0.610) 6.969 12.571 ( 6.644 0.692 2.341) 7.078 12.783 ( -8.301 0.625 -1.381) 8.438 12.863 ( -10.599 5.004 5.718) 13.041 13.035 ( -7.910 1.840 -7.726) 11.210 13.078 ( -2.635 3.306 -0.926) 4.328 13.103 ( -3.226 4.232 1.610) 5.559 13.294 ( -14.678 -5.624 -1.756) 15.816 13.362 ( -7.908 -1.895 -2.482) 8.502 13.612 ( -16.908 -6.416 -4.116) 18.547 14.398 ( -6.498 7.352 9.640) 13.754 14.730 ( -8.432 1.133 -2.161) 8.778 14.826 ( -10.493 -8.123 4.093) 13.887 14.932 ( -11.422 -5.328 -6.558) 14.208 16.839 ( 13.814 2.554 2.919) 14.348 17.012 ( 20.394 3.745 -5.380) 21.422 17.607 ( -5.775 -1.357 12.667) 13.988 18.382 ( -1.538 7.307 -9.503) 12.086 18.504 ( -1.863 -1.772 0.493) 2.618 18.641 ( -3.656 -10.776 -9.004) 14.511 ======================= Grid point 310 (141/141) ======================= q-point: (-0.10 -0.10 0.40) 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( -29.998 0.000 10.977) 31.943 2.074 ( -16.992 0.000 35.843) 39.666 2.312 ( -24.545 0.000 -13.075) 27.811 2.471 ( -31.260 0.000 -21.075) 37.701 2.882 ( -56.597 0.000 16.441) 58.937 3.223 ( -3.107 0.000 0.640) 3.173 3.298 ( -7.855 0.000 -15.297) 17.195 3.369 ( -9.637 0.000 -8.302) 12.720 3.570 ( -3.090 0.000 1.103) 3.281 3.719 ( -10.987 0.000 -0.780) 11.015 4.346 ( -9.964 0.000 5.333) 11.302 4.457 ( 3.241 -0.000 3.911) 5.079 4.579 ( -8.421 0.000 -6.534) 10.659 4.806 ( 7.670 -0.000 -6.236) 9.885 4.863 ( 3.857 -0.000 7.556) 8.483 4.941 ( -1.638 0.000 -11.459) 11.575 5.494 ( 12.144 -0.000 6.322) 13.691 5.708 ( 12.353 -0.000 -3.210) 12.763 5.766 ( -1.191 0.000 8.381) 8.466 5.995 ( -0.319 0.000 -6.621) 6.629 6.464 ( 3.580 -0.000 1.761) 3.990 6.471 ( 5.079 -0.000 -1.995) 5.457 6.618 ( -0.587 0.000 4.296) 4.336 6.908 ( 2.433 -0.000 -5.562) 6.070 6.972 ( 7.427 -0.000 1.719) 7.623 7.255 ( 1.035 -0.000 3.293) 3.452 7.434 ( 23.442 -0.000 -2.440) 23.569 7.507 ( 18.825 -0.000 1.419) 18.878 7.565 ( 17.552 -0.000 2.661) 17.753 7.572 ( 21.650 -0.000 -1.279) 21.688 7.986 ( 2.945 -0.000 -0.003) 2.945 8.027 ( 6.541 -0.000 3.684) 7.507 8.560 ( 5.680 -0.000 0.924) 5.755 8.610 ( 2.735 -0.000 2.003) 3.390 8.756 ( -0.888 0.000 0.425) 0.984 8.803 ( -2.075 0.000 -2.660) 3.374 8.915 ( -1.398 0.000 2.179) 2.589 9.012 ( -5.309 0.000 1.018) 5.406 9.097 ( -0.048 0.000 -6.501) 6.501 9.311 ( -4.123 0.000 -5.309) 6.722 9.411 ( -2.713 0.000 9.266) 9.655 9.417 ( -1.911 0.000 -2.816) 3.403 9.581 ( 3.607 -0.000 1.055) 3.758 9.868 ( -2.478 0.000 -3.131) 3.993 10.151 ( 8.265 -0.000 -1.702) 8.438 10.323 ( 0.640 -0.000 2.782) 2.855 11.169 ( -5.762 0.000 2.275) 6.195 11.381 ( 7.197 -0.000 0.837) 7.245 11.525 ( 1.837 -0.000 -4.498) 4.859 11.557 ( -0.095 0.000 2.578) 2.580 12.204 ( 8.026 -0.000 0.687) 8.055 12.274 ( 9.532 -0.000 -1.118) 9.598 12.416 ( -28.705 0.000 9.926) 30.373 12.495 ( -14.667 0.000 -4.065) 15.220 12.616 ( -12.465 0.000 -9.357) 15.586 12.650 ( -10.816 0.000 9.231) 14.220 12.768 ( -10.199 0.000 0.531) 10.213 12.914 ( -6.060 0.000 -0.802) 6.113 13.011 ( -11.549 0.000 -21.418) 24.333 13.123 ( -3.441 0.000 1.307) 3.681 13.250 ( -14.246 0.000 -5.720) 15.352 13.250 ( -4.290 0.000 0.578) 4.329 14.383 ( -1.654 0.000 5.713) 5.947 14.623 ( -2.986 0.000 -4.644) 5.521 14.642 ( -7.143 0.000 3.135) 7.801 14.719 ( -6.829 0.000 -2.462) 7.259 17.092 ( 11.099 -0.000 5.259) 12.282 17.216 ( 4.802 -0.000 -5.946) 7.643 17.697 ( 9.104 -0.000 10.929) 14.224 18.279 ( -10.153 0.000 -20.740) 23.091 18.461 ( -3.331 0.000 -2.322) 4.060 18.484 ( -2.636 0.000 0.510) 2.684 =================== 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 3/36000 10.0 835.332 872.765 530.725 0.000 -70.133 -0.000 3/36000 20.0 487.279 478.610 302.635 -0.000 -49.207 -0.000 3/36000 30.0 195.616 182.698 112.460 -0.000 -14.581 -0.000 3/36000 40.0 104.299 97.261 59.627 -0.000 -6.844 -0.000 3/36000 50.0 66.021 61.709 38.173 -0.000 -4.085 -0.000 3/36000 60.0 46.257 43.349 27.045 -0.000 -2.765 -0.000 3/36000 70.0 34.716 32.614 20.466 -0.000 -2.028 -0.000 3/36000 80.0 27.389 25.785 16.238 -0.000 -1.574 -0.000 3/36000 90.0 22.436 21.158 13.352 -0.000 -1.275 -0.000 3/36000 100.0 18.918 17.865 11.285 -0.000 -1.066 -0.000 3/36000 110.0 16.316 15.425 9.749 -0.000 -0.914 -0.000 3/36000 120.0 14.328 13.558 8.570 -0.000 -0.799 -0.000 3/36000 130.0 12.768 12.090 7.643 -0.000 -0.710 -0.000 3/36000 140.0 11.514 10.909 6.896 -0.000 -0.638 -0.000 3/36000 150.0 10.487 9.941 6.284 -0.000 -0.580 -0.000 3/36000 160.0 9.631 9.133 5.773 -0.000 -0.532 -0.000 3/36000 170.0 8.908 8.450 5.342 -0.000 -0.491 -0.000 3/36000 180.0 8.289 7.865 4.972 -0.000 -0.457 -0.000 3/36000 190.0 7.753 7.359 4.652 -0.000 -0.427 -0.000 3/36000 200.0 7.285 6.916 4.372 -0.000 -0.401 -0.000 3/36000 210.0 6.872 6.525 4.126 -0.000 -0.378 -0.000 3/36000 220.0 6.505 6.178 3.907 -0.000 -0.357 -0.000 3/36000 230.0 6.177 5.867 3.711 -0.000 -0.339 -0.000 3/36000 240.0 5.882 5.588 3.535 -0.000 -0.323 -0.000 3/36000 250.0 5.615 5.334 3.375 -0.000 -0.308 -0.000 3/36000 260.0 5.372 5.104 3.230 -0.000 -0.294 -0.000 3/36000 270.0 5.150 4.894 3.097 -0.000 -0.282 -0.000 3/36000 280.0 4.946 4.700 2.975 -0.000 -0.271 -0.000 3/36000 290.0 4.758 4.522 2.863 -0.000 -0.260 -0.000 3/36000 300.0 4.585 4.358 2.760 -0.000 -0.251 -0.000 3/36000 310.0 4.424 4.205 2.663 -0.000 -0.242 -0.000 3/36000 320.0 4.274 4.063 2.574 -0.000 -0.234 -0.000 3/36000 330.0 4.135 3.931 2.490 -0.000 -0.226 -0.000 3/36000 340.0 4.004 3.807 2.412 -0.000 -0.219 -0.000 3/36000 350.0 3.882 3.691 2.339 -0.000 -0.212 -0.000 3/36000 360.0 3.767 3.583 2.270 -0.000 -0.206 -0.000 3/36000 370.0 3.660 3.480 2.206 -0.000 -0.200 -0.000 3/36000 380.0 3.558 3.383 2.145 -0.000 -0.194 -0.000 3/36000 390.0 3.462 3.292 2.087 -0.000 -0.189 -0.000 3/36000 400.0 3.371 3.206 2.033 -0.000 -0.184 -0.000 3/36000 410.0 3.284 3.124 1.981 -0.000 -0.179 -0.000 3/36000 420.0 3.203 3.046 1.932 -0.000 -0.175 -0.000 3/36000 430.0 3.125 2.972 1.885 -0.000 -0.170 -0.000 3/36000 440.0 3.051 2.902 1.841 -0.000 -0.166 -0.000 3/36000 450.0 2.980 2.835 1.798 -0.000 -0.163 -0.000 3/36000 460.0 2.913 2.771 1.758 -0.000 -0.159 -0.000 3/36000 470.0 2.849 2.710 1.719 -0.000 -0.155 -0.000 3/36000 480.0 2.788 2.652 1.683 -0.000 -0.152 -0.000 3/36000 490.0 2.729 2.596 1.647 -0.000 -0.149 -0.000 3/36000 500.0 2.672 2.543 1.613 -0.000 -0.146 -0.000 3/36000 510.0 2.618 2.491 1.581 -0.000 -0.143 -0.000 3/36000 520.0 2.567 2.442 1.550 -0.000 -0.140 -0.000 3/36000 530.0 2.517 2.395 1.520 -0.000 -0.137 -0.000 3/36000 540.0 2.469 2.349 1.491 -0.000 -0.135 -0.000 3/36000 550.0 2.423 2.305 1.463 -0.000 -0.132 -0.000 3/36000 560.0 2.379 2.263 1.437 -0.000 -0.130 -0.000 3/36000 570.0 2.336 2.223 1.411 -0.000 -0.127 -0.000 3/36000 580.0 2.295 2.184 1.386 -0.000 -0.125 -0.000 3/36000 590.0 2.255 2.146 1.362 -0.000 -0.123 -0.000 3/36000 600.0 2.217 2.109 1.339 -0.000 -0.121 -0.000 3/36000 610.0 2.179 2.074 1.317 -0.000 -0.119 -0.000 3/36000 620.0 2.144 2.040 1.295 -0.000 -0.117 -0.000 3/36000 630.0 2.109 2.007 1.274 -0.000 -0.115 -0.000 3/36000 640.0 2.075 1.975 1.254 -0.000 -0.113 -0.000 3/36000 650.0 2.043 1.944 1.235 -0.000 -0.111 -0.000 3/36000 660.0 2.011 1.914 1.216 -0.000 -0.110 -0.000 3/36000 670.0 1.981 1.885 1.197 -0.000 -0.108 -0.000 3/36000 680.0 1.951 1.857 1.179 -0.000 -0.106 -0.000 3/36000 690.0 1.923 1.830 1.162 -0.000 -0.105 -0.000 3/36000 700.0 1.895 1.803 1.145 -0.000 -0.103 -0.000 3/36000 710.0 1.868 1.777 1.129 -0.000 -0.102 -0.000 3/36000 720.0 1.841 1.752 1.113 -0.000 -0.100 -0.000 3/36000 730.0 1.816 1.728 1.098 -0.000 -0.099 -0.000 3/36000 740.0 1.791 1.704 1.083 -0.000 -0.097 -0.000 3/36000 750.0 1.767 1.681 1.068 -0.000 -0.096 -0.000 3/36000 760.0 1.743 1.659 1.054 -0.000 -0.095 -0.000 3/36000 770.0 1.720 1.637 1.040 -0.000 -0.094 -0.000 3/36000 780.0 1.698 1.616 1.027 -0.000 -0.092 -0.000 3/36000 790.0 1.676 1.595 1.014 -0.000 -0.091 -0.000 3/36000 800.0 1.655 1.575 1.001 -0.000 -0.090 -0.000 3/36000 810.0 1.634 1.556 0.988 -0.000 -0.089 -0.000 3/36000 820.0 1.614 1.536 0.976 -0.000 -0.088 -0.000 3/36000 830.0 1.594 1.518 0.964 -0.000 -0.087 -0.000 3/36000 840.0 1.575 1.499 0.953 -0.000 -0.086 -0.000 3/36000 850.0 1.557 1.482 0.941 -0.000 -0.085 -0.000 3/36000 860.0 1.538 1.464 0.930 -0.000 -0.084 -0.000 3/36000 870.0 1.520 1.447 0.920 -0.000 -0.083 -0.000 3/36000 880.0 1.503 1.431 0.909 -0.000 -0.082 -0.000 3/36000 890.0 1.486 1.414 0.899 -0.000 -0.081 -0.000 3/36000 900.0 1.469 1.399 0.889 -0.000 -0.080 -0.000 3/36000 910.0 1.453 1.383 0.879 -0.000 -0.079 -0.000 3/36000 920.0 1.437 1.368 0.869 -0.000 -0.078 -0.000 3/36000 930.0 1.422 1.353 0.860 -0.000 -0.077 -0.000 3/36000 940.0 1.406 1.339 0.851 -0.000 -0.077 -0.000 3/36000 950.0 1.391 1.324 0.842 -0.000 -0.076 -0.000 3/36000 960.0 1.377 1.311 0.833 -0.000 -0.075 -0.000 3/36000 970.0 1.362 1.297 0.824 -0.000 -0.074 -0.000 3/36000 980.0 1.348 1.284 0.816 -0.000 -0.073 -0.000 3/36000 990.0 1.335 1.271 0.807 -0.000 -0.073 -0.000 3/36000 1000.0 1.321 1.258 0.799 -0.000 -0.072 -0.000 3/36000 Thermal conductivity related properties were written into "kappa-m10105.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 05:00:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|