----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 03:39:19]------------------------- Compiled with OpenMP support (max 32 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 3.003589110362581 -5.584148679999999 0.000000000000000 b 3.003589110362581 5.584148679999999 0.000000000000000 c -0.604834951085926 0.000000000000000 12.487966329479764 Atomic positions (fractional): *1 N 0.49494308822278 0.50505691177722 0.25000000000000 14.007 2 N 0.50505691177722 0.49494308822278 0.75000000000000 14.007 *3 N 0.09351398413993 0.90648601586007 0.25000000000000 14.007 4 N 0.90648601586007 0.09351398413993 0.75000000000000 14.007 *5 N 0.99643037245609 0.32208398927860 0.37690518222373 14.007 6 N 0.67791601072140 0.00356962754391 0.12309481777627 14.007 7 N 0.00356962754391 0.67791601072140 0.62309481777627 14.007 8 N 0.32208398927860 0.99643037245609 0.87690518222373 14.007 *9 N 0.79850996571803 0.61186267010799 0.03941228970392 14.007 10 N 0.61186267010799 0.79850996571803 0.53941228970392 14.007 11 N 0.20149003428197 0.38813732989201 0.96058771029608 14.007 12 N 0.38813732989201 0.20149003428197 0.46058771029607 14.007 *13 Sr 0.15696235777595 0.38778491337453 0.57760149753434 87.620 *14 Sr 0.53672954216131 0.94137693197238 0.35793235198698 87.620 15 Sr 0.94137693197238 0.53672954216131 0.85793235198698 87.620 16 Sr 0.46327045783869 0.05862306802762 0.64206764801302 87.620 17 Sr 0.84303764222405 0.61221508662547 0.42239850246566 87.620 18 Sr 0.38778491337453 0.15696235777595 0.07760149753434 87.620 19 Sr 0.61221508662547 0.84303764222405 0.92239850246566 87.620 20 Sr 0.05862306802762 0.46327045783869 0.14206764801302 87.620 *21 Nb 0.76761982306677 0.77021956504166 0.16353883501512 92.906 22 Nb 0.22978043495834 0.23238017693323 0.33646116498488 92.906 23 Nb 0.23238017693323 0.22978043495834 0.83646116498488 92.906 24 Nb 0.77021956504166 0.76761982306677 0.66353883501512 92.906 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.007178220725161 0.000000000000000 0.000000000000000 b 0.000000000000000 11.168297359999999 0.000000000000000 c -0.604834951085926 0.000000000000000 12.487966329479764 Atomic positions (fractional): *1 N 0.50000000000000 0.00505691177722 0.25000000000000 14.007 > 1 2 N 0.00000000000000 0.49494308822278 0.75000000000000 14.007 > 2 *3 N 0.50000000000000 0.40648601586007 0.25000000000000 14.007 > 3 4 N 0.00000000000000 0.09351398413993 0.75000000000000 14.007 > 4 *5 N 0.15925718086735 0.16282680841125 0.37690518222373 14.007 > 5 6 N 0.84074281913265 0.16282680841125 0.12309481777627 14.007 > 6 7 N 0.34074281913265 0.33717319158875 0.62309481777627 14.007 > 7 8 N 0.65925718086735 0.33717319158875 0.87690518222373 14.007 > 8 *9 N 0.20518631791301 0.40667635219498 0.03941228970392 14.007 > 9 10 N 0.70518631791301 0.09332364780502 0.53941228970392 14.007 > 10 11 N 0.29481368208699 0.09332364780502 0.96058771029608 14.007 > 11 12 N 0.79481368208699 0.40667635219498 0.46058771029607 14.007 > 12 13 N 0.00000000000000 0.50505691177722 0.25000000000000 14.007 > 1 14 N 0.50000000000000 0.99494308822278 0.75000000000000 14.007 > 2 15 N 0.00000000000000 0.90648601586007 0.25000000000000 14.007 > 3 16 N 0.50000000000000 0.59351398413993 0.75000000000000 14.007 > 4 17 N 0.65925718086735 0.66282680841125 0.37690518222373 14.007 > 5 18 N 0.34074281913265 0.66282680841125 0.12309481777627 14.007 > 6 19 N 0.84074281913265 0.83717319158875 0.62309481777627 14.007 > 7 20 N 0.15925718086735 0.83717319158875 0.87690518222373 14.007 > 8 21 N 0.70518631791301 0.90667635219498 0.03941228970392 14.007 > 9 22 N 0.20518631791301 0.59332364780502 0.53941228970392 14.007 > 10 23 N 0.79481368208699 0.59332364780502 0.96058771029608 14.007 > 11 24 N 0.29481368208699 0.90667635219498 0.46058771029607 14.007 > 12 *25 Sr 0.27237363557524 0.11541127779929 0.57760149753434 87.620 > 13 *26 Sr 0.73905323706685 0.20232369490554 0.35793235198698 87.620 > 14 27 Sr 0.23905323706685 0.29767630509446 0.85793235198698 87.620 > 15 28 Sr 0.76094676293315 0.29767630509446 0.64206764801302 87.620 > 16 29 Sr 0.22762636442476 0.38458872220071 0.42239850246566 87.620 > 17 30 Sr 0.77237363557524 0.38458872220071 0.07760149753434 87.620 > 18 31 Sr 0.72762636442476 0.11541127779929 0.92239850246566 87.620 > 19 32 Sr 0.26094676293315 0.20232369490554 0.14206764801302 87.620 > 20 33 Sr 0.77237363557524 0.61541127779929 0.57760149753434 87.620 > 13 34 Sr 0.23905323706685 0.70232369490554 0.35793235198698 87.620 > 14 35 Sr 0.73905323706685 0.79767630509446 0.85793235198698 87.620 > 15 36 Sr 0.26094676293315 0.79767630509446 0.64206764801302 87.620 > 16 37 Sr 0.72762636442476 0.88458872220071 0.42239850246566 87.620 > 17 38 Sr 0.27237363557524 0.88458872220071 0.07760149753434 87.620 > 18 39 Sr 0.22762636442476 0.61541127779929 0.92239850246566 87.620 > 19 40 Sr 0.76094676293315 0.70232369490554 0.14206764801302 87.620 > 20 *41 Nb 0.76891969405422 0.00129987098745 0.16353883501512 92.906 > 21 42 Nb 0.23108030594578 0.00129987098745 0.33646116498488 92.906 > 22 43 Nb 0.73108030594578 0.49870012901255 0.83646116498488 92.906 > 23 44 Nb 0.26891969405422 0.49870012901255 0.66353883501512 92.906 > 24 45 Nb 0.26891969405422 0.50129987098745 0.16353883501512 92.906 > 21 46 Nb 0.73108030594578 0.50129987098745 0.33646116498488 92.906 > 22 47 Nb 0.23108030594578 0.99870012901255 0.83646116498488 92.906 > 23 48 Nb 0.76891969405422 0.99870012901255 0.66353883501512 92.906 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.014356441450323 0.000000000000000 0.000000000000000 b 0.000000000000000 11.168297359999999 0.000000000000000 c -0.604834951085926 0.000000000000000 12.487966329479764 Atomic positions (fractional): *1 N 0.25000000000000 0.00505691177722 0.25000000000000 14.007 > 1 2 N 0.75000000000000 0.00505691177722 0.25000000000000 14.007 > 1 3 N 0.00000000000000 0.49494308822278 0.75000000000000 14.007 > 2 4 N 0.50000000000000 0.49494308822278 0.75000000000000 14.007 > 2 *5 N 0.25000000000000 0.40648601586007 0.25000000000000 14.007 > 3 6 N 0.75000000000000 0.40648601586007 0.25000000000000 14.007 > 3 7 N 0.00000000000000 0.09351398413993 0.75000000000000 14.007 > 4 8 N 0.50000000000000 0.09351398413993 0.75000000000000 14.007 > 4 *9 N 0.07962859043367 0.16282680841125 0.37690518222373 14.007 > 5 10 N 0.57962859043367 0.16282680841125 0.37690518222373 14.007 > 5 11 N 0.42037140956633 0.16282680841125 0.12309481777627 14.007 > 6 12 N 0.92037140956633 0.16282680841125 0.12309481777627 14.007 > 6 13 N 0.17037140956633 0.33717319158875 0.62309481777627 14.007 > 7 14 N 0.67037140956633 0.33717319158875 0.62309481777627 14.007 > 7 15 N 0.32962859043367 0.33717319158875 0.87690518222373 14.007 > 8 16 N 0.82962859043367 0.33717319158875 0.87690518222373 14.007 > 8 *17 N 0.10259315895651 0.40667635219498 0.03941228970392 14.007 > 9 18 N 0.60259315895651 0.40667635219498 0.03941228970392 14.007 > 9 19 N 0.35259315895651 0.09332364780502 0.53941228970392 14.007 > 10 20 N 0.85259315895651 0.09332364780502 0.53941228970392 14.007 > 10 21 N 0.14740684104349 0.09332364780502 0.96058771029608 14.007 > 11 22 N 0.64740684104349 0.09332364780502 0.96058771029608 14.007 > 11 23 N 0.39740684104349 0.40667635219498 0.46058771029607 14.007 > 12 24 N 0.89740684104349 0.40667635219498 0.46058771029607 14.007 > 12 25 N 0.00000000000000 0.50505691177722 0.25000000000000 14.007 > 1 26 N 0.50000000000000 0.50505691177722 0.25000000000000 14.007 > 1 27 N 0.25000000000000 0.99494308822278 0.75000000000000 14.007 > 2 28 N 0.75000000000000 0.99494308822278 0.75000000000000 14.007 > 2 29 N 0.00000000000000 0.90648601586007 0.25000000000000 14.007 > 3 30 N 0.50000000000000 0.90648601586007 0.25000000000000 14.007 > 3 31 N 0.25000000000000 0.59351398413993 0.75000000000000 14.007 > 4 32 N 0.75000000000000 0.59351398413993 0.75000000000000 14.007 > 4 33 N 0.32962859043367 0.66282680841125 0.37690518222373 14.007 > 5 34 N 0.82962859043367 0.66282680841125 0.37690518222373 14.007 > 5 35 N 0.17037140956633 0.66282680841125 0.12309481777627 14.007 > 6 36 N 0.67037140956633 0.66282680841125 0.12309481777627 14.007 > 6 37 N 0.42037140956633 0.83717319158875 0.62309481777627 14.007 > 7 38 N 0.92037140956633 0.83717319158875 0.62309481777627 14.007 > 7 39 N 0.07962859043367 0.83717319158875 0.87690518222373 14.007 > 8 40 N 0.57962859043367 0.83717319158875 0.87690518222373 14.007 > 8 41 N 0.35259315895651 0.90667635219498 0.03941228970392 14.007 > 9 42 N 0.85259315895651 0.90667635219498 0.03941228970392 14.007 > 9 43 N 0.10259315895651 0.59332364780502 0.53941228970392 14.007 > 10 44 N 0.60259315895651 0.59332364780502 0.53941228970392 14.007 > 10 45 N 0.39740684104349 0.59332364780502 0.96058771029608 14.007 > 11 46 N 0.89740684104349 0.59332364780502 0.96058771029608 14.007 > 11 47 N 0.14740684104349 0.90667635219498 0.46058771029607 14.007 > 12 48 N 0.64740684104349 0.90667635219498 0.46058771029607 14.007 > 12 *49 Sr 0.13618681778762 0.11541127779929 0.57760149753434 87.620 > 13 50 Sr 0.63618681778762 0.11541127779929 0.57760149753434 87.620 > 13 *51 Sr 0.36952661853342 0.20232369490554 0.35793235198698 87.620 > 14 52 Sr 0.86952661853342 0.20232369490554 0.35793235198698 87.620 > 14 53 Sr 0.11952661853342 0.29767630509446 0.85793235198698 87.620 > 15 54 Sr 0.61952661853342 0.29767630509446 0.85793235198698 87.620 > 15 55 Sr 0.38047338146658 0.29767630509446 0.64206764801302 87.620 > 16 56 Sr 0.88047338146658 0.29767630509446 0.64206764801302 87.620 > 16 57 Sr 0.11381318221238 0.38458872220071 0.42239850246566 87.620 > 17 58 Sr 0.61381318221238 0.38458872220071 0.42239850246566 87.620 > 17 59 Sr 0.38618681778762 0.38458872220071 0.07760149753434 87.620 > 18 60 Sr 0.88618681778762 0.38458872220071 0.07760149753434 87.620 > 18 61 Sr 0.36381318221238 0.11541127779929 0.92239850246566 87.620 > 19 62 Sr 0.86381318221238 0.11541127779929 0.92239850246566 87.620 > 19 63 Sr 0.13047338146658 0.20232369490554 0.14206764801302 87.620 > 20 64 Sr 0.63047338146658 0.20232369490554 0.14206764801302 87.620 > 20 65 Sr 0.38618681778762 0.61541127779929 0.57760149753434 87.620 > 13 66 Sr 0.88618681778762 0.61541127779929 0.57760149753434 87.620 > 13 67 Sr 0.11952661853342 0.70232369490554 0.35793235198698 87.620 > 14 68 Sr 0.61952661853342 0.70232369490554 0.35793235198698 87.620 > 14 69 Sr 0.36952661853342 0.79767630509446 0.85793235198698 87.620 > 15 70 Sr 0.86952661853342 0.79767630509446 0.85793235198698 87.620 > 15 71 Sr 0.13047338146658 0.79767630509446 0.64206764801302 87.620 > 16 72 Sr 0.63047338146658 0.79767630509446 0.64206764801302 87.620 > 16 73 Sr 0.36381318221238 0.88458872220071 0.42239850246566 87.620 > 17 74 Sr 0.86381318221238 0.88458872220071 0.42239850246566 87.620 > 17 75 Sr 0.13618681778762 0.88458872220071 0.07760149753434 87.620 > 18 76 Sr 0.63618681778762 0.88458872220071 0.07760149753434 87.620 > 18 77 Sr 0.11381318221238 0.61541127779929 0.92239850246566 87.620 > 19 78 Sr 0.61381318221238 0.61541127779929 0.92239850246566 87.620 > 19 79 Sr 0.38047338146658 0.70232369490554 0.14206764801302 87.620 > 20 80 Sr 0.88047338146658 0.70232369490554 0.14206764801302 87.620 > 20 *81 Nb 0.38445984702711 0.00129987098745 0.16353883501512 92.906 > 21 82 Nb 0.88445984702711 0.00129987098745 0.16353883501512 92.906 > 21 83 Nb 0.11554015297289 0.00129987098745 0.33646116498488 92.906 > 22 84 Nb 0.61554015297289 0.00129987098745 0.33646116498488 92.906 > 22 85 Nb 0.36554015297289 0.49870012901255 0.83646116498488 92.906 > 23 86 Nb 0.86554015297289 0.49870012901255 0.83646116498488 92.906 > 23 87 Nb 0.13445984702711 0.49870012901255 0.66353883501512 92.906 > 24 88 Nb 0.63445984702711 0.49870012901255 0.66353883501512 92.906 > 24 89 Nb 0.13445984702711 0.50129987098745 0.16353883501512 92.906 > 21 90 Nb 0.63445984702711 0.50129987098745 0.16353883501512 92.906 > 21 91 Nb 0.36554015297289 0.50129987098745 0.33646116498488 92.906 > 22 92 Nb 0.86554015297289 0.50129987098745 0.33646116498488 92.906 > 22 93 Nb 0.11554015297289 0.99870012901255 0.83646116498488 92.906 > 23 94 Nb 0.61554015297289 0.99870012901255 0.83646116498488 92.906 > 23 95 Nb 0.38445984702711 0.99870012901255 0.66353883501512 92.906 > 24 96 Nb 0.88445984702711 0.99870012901255 0.66353883501512 92.906 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.4702004 0.0000000 -0.0517637 0.0000000 5.9838571 0.0000000 -0.0517692 0.0000000 6.3530602 -------------------------- Born effective charges -------------------------- 1 N -4.9999282 0.0000000 2.0745251 0.0000000 -0.9811936 -0.0000000 2.1998668 -0.0000000 -2.8438472 2 N -4.9999282 0.0000000 2.0745251 0.0000000 -0.9811936 -0.0000000 2.1998668 -0.0000000 -2.8438472 3 N -3.5269456 0.0000000 -1.8762208 0.0000000 -2.0160555 -0.0000000 -1.3348821 -0.0000000 -2.5327327 4 N -3.5269456 0.0000000 -1.8762208 0.0000000 -2.0160555 -0.0000000 -1.3348821 -0.0000000 -2.5327327 5 N -2.1708301 0.6759871 0.0647096 0.4589766 -3.9055093 -0.7176120 -0.0139952 -0.8251336 -2.1204703 6 N -2.1708301 -0.6759871 0.0647096 -0.4589766 -3.9055093 0.7176120 -0.0139952 0.8251336 -2.1204703 7 N -2.1708301 0.6759871 0.0647096 0.4589766 -3.9055093 -0.7176120 -0.0139952 -0.8251336 -2.1204703 8 N -2.1708301 -0.6759871 0.0647096 -0.4589766 -3.9055093 0.7176120 -0.0139952 0.8251336 -2.1204703 9 N -2.0419022 -0.0979514 -0.1210657 -0.3116852 -2.7128429 -1.1149827 -0.3734028 -1.1759265 -3.6100598 10 N -2.0419022 0.0979514 -0.1210657 0.3116852 -2.7128429 1.1149827 -0.3734028 1.1759265 -3.6100598 11 N -2.0419022 -0.0979514 -0.1210657 -0.3116852 -2.7128429 -1.1149827 -0.3734028 -1.1759265 -3.6100598 12 N -2.0419022 0.0979514 -0.1210657 0.3116852 -2.7128429 1.1149827 -0.3734028 1.1759265 -3.6100598 13 Sr 2.1776550 0.0058861 -0.1003530 0.0004567 2.3269526 0.3430678 0.1644847 0.2511625 2.4500746 14 Sr 2.4678026 -0.0883447 0.1375930 -0.1778291 2.9064867 0.0849041 -0.0587079 -0.1688550 2.4927395 15 Sr 2.4678026 0.0883447 0.1375930 0.1778291 2.9064867 -0.0849041 -0.0587079 0.1688550 2.4927395 16 Sr 2.4678026 -0.0883447 0.1375930 -0.1778291 2.9064867 0.0849041 -0.0587079 -0.1688550 2.4927395 17 Sr 2.1776550 0.0058861 -0.1003530 0.0004567 2.3269526 0.3430678 0.1644847 0.2511625 2.4500746 18 Sr 2.1776550 -0.0058861 -0.1003530 -0.0004567 2.3269526 -0.3430678 0.1644847 -0.2511625 2.4500746 19 Sr 2.1776550 -0.0058861 -0.1003530 -0.0004567 2.3269526 -0.3430678 0.1644847 -0.2511625 2.4500746 20 Sr 2.4678026 0.0883447 0.1375930 0.1778291 2.9064867 -0.0849041 -0.0587079 0.1688550 2.4927395 21 Nb 3.8307117 -0.2639038 -0.0800360 0.2984735 2.8835374 0.3411509 -0.1508712 -0.1545495 3.4760061 22 Nb 3.8307117 0.2639038 -0.0800360 -0.2984735 2.8835374 -0.3411509 -0.1508712 0.1545495 3.4760061 23 Nb 3.8307117 -0.2639038 -0.0800360 0.2984735 2.8835374 0.3411509 -0.1508712 -0.1545495 3.4760061 24 Nb 3.8307117 0.2639038 -0.0800360 -0.2984735 2.8835374 -0.3411509 -0.1508712 0.1545495 3.4760061 ---------------------------------------------------------------------------- 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: 2704 Number of blocks in projector: 2704 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: 584 Use submatrix version of eigh solver. (1) Block: 584 / 584 (2) Block: 250 / 584 (2) 237 eigenvectors found. (2) Block: 500 / 584 (2) 241 eigenvectors found. (2) Block: 584 / 584 (2) 79 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 571 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 568 Use submatrix version of eigh solver. (1) Block: 568 / 568 (2) Block: 250 / 568 (2) 240 eigenvectors found. (2) Block: 500 / 568 (2) 240 eigenvectors found. (2) Block: 568 / 568 (2) 60 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 558 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: 568 Use submatrix version of eigh solver. (1) Block: 568 / 568 (2) Block: 250 / 568 (2) 240 eigenvectors found. (2) Block: 500 / 568 (2) 240 eigenvectors found. (2) Block: 568 / 568 (2) 60 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 558 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: 328 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 328 Use standard eigh solver. Tree of FC basis block matrices: - (2704, 2650), data: False |-- (328, 321), data: True |-- (328, 321), data: True |-- (328, 321), data: True |-- (568, 558), data: False |-- (568, 558), data: False |-- (568, 18), data: (568, 28) @ (28, 18) |-- (68, 60), data: True |-- (250, 240), data: True |-- (250, 240), data: True |-- (568, 558), data: False |-- (568, 558), data: False |-- (568, 18), data: (568, 28) @ (28, 18) |-- (68, 60), data: True |-- (250, 240), data: True |-- (250, 240), data: True |-- (584, 571), data: False |-- (584, 571), data: False |-- (584, 14), data: (584, 27) @ (27, 14) |-- (84, 79), data: True |-- (250, 241), data: True |-- (250, 237), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 720 - Time: 0.598 Solver_block: 200 / 720 - Time: 0.535 Solver_block: 300 / 720 - Time: 0.536 Solver_block: 400 / 720 - Time: 0.536 Solver_block: 500 / 720 - Time: 0.535 Solver_block: 600 / 720 - Time: 0.535 Solver_block: 700 / 720 - Time: 0.536 Solver_block: 720 / 720 - Time: 0.156 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.056 --------------------------------- 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: 2704 Number of blocks in projector: 2704 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: 584 Use submatrix version of eigh solver. (1) Block: 584 / 584 (2) Block: 250 / 584 (2) 237 eigenvectors found. (2) Block: 500 / 584 (2) 241 eigenvectors found. (2) Block: 584 / 584 (2) 79 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 571 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 568 Use submatrix version of eigh solver. (1) Block: 568 / 568 (2) Block: 250 / 568 (2) 240 eigenvectors found. (2) Block: 500 / 568 (2) 240 eigenvectors found. (2) Block: 568 / 568 (2) 60 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 558 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: 568 Use submatrix version of eigh solver. (1) Block: 568 / 568 (2) Block: 250 / 568 (2) 240 eigenvectors found. (2) Block: 500 / 568 (2) 240 eigenvectors found. (2) Block: 568 / 568 (2) 60 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 558 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: 328 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 328 Use standard eigh solver. Tree of FC basis block matrices: - (2704, 2650), data: False |-- (328, 321), data: True |-- (328, 321), data: True |-- (328, 321), data: True |-- (568, 558), data: False |-- (568, 558), data: False |-- (568, 18), data: (568, 28) @ (28, 18) |-- (68, 60), data: True |-- (250, 240), data: True |-- (250, 240), data: True |-- (568, 558), data: False |-- (568, 558), data: False |-- (568, 18), data: (568, 28) @ (28, 18) |-- (68, 60), data: True |-- (250, 240), data: True |-- (250, 240), data: True |-- (584, 571), data: False |-- (584, 571), data: False |-- (584, 14), data: (584, 27) @ (27, 14) |-- (84, 79), data: True |-- (250, 241), data: True |-- (250, 237), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 03:39:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:39:53]------------------------- Compiled with OpenMP support (max 32 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 3.003589110362581 -5.584148679999999 0.000000000000000 b 3.003589110362581 5.584148679999999 0.000000000000000 c -0.604834951085926 0.000000000000000 12.487966329479764 Atomic positions (fractional): 1 N 0.49494308822278 0.50505691177722 0.25000000000000 14.007 2 N 0.50505691177722 0.49494308822278 0.75000000000000 14.007 3 N 0.09351398413993 0.90648601586007 0.25000000000000 14.007 4 N 0.90648601586007 0.09351398413993 0.75000000000000 14.007 5 N 0.99643037245609 0.32208398927860 0.37690518222373 14.007 6 N 0.67791601072140 0.00356962754391 0.12309481777627 14.007 7 N 0.00356962754391 0.67791601072140 0.62309481777627 14.007 8 N 0.32208398927860 0.99643037245609 0.87690518222373 14.007 9 N 0.79850996571803 0.61186267010799 0.03941228970392 14.007 10 N 0.61186267010799 0.79850996571803 0.53941228970392 14.007 11 N 0.20149003428197 0.38813732989201 0.96058771029608 14.007 12 N 0.38813732989201 0.20149003428197 0.46058771029607 14.007 13 Sr 0.15696235777595 0.38778491337453 0.57760149753434 87.620 14 Sr 0.53672954216131 0.94137693197238 0.35793235198698 87.620 15 Sr 0.94137693197238 0.53672954216131 0.85793235198698 87.620 16 Sr 0.46327045783869 0.05862306802762 0.64206764801302 87.620 17 Sr 0.84303764222405 0.61221508662547 0.42239850246566 87.620 18 Sr 0.38778491337453 0.15696235777595 0.07760149753434 87.620 19 Sr 0.61221508662547 0.84303764222405 0.92239850246566 87.620 20 Sr 0.05862306802762 0.46327045783869 0.14206764801302 87.620 21 Nb 0.76761982306677 0.77021956504166 0.16353883501512 92.906 22 Nb 0.22978043495834 0.23238017693323 0.33646116498488 92.906 23 Nb 0.23238017693323 0.22978043495834 0.83646116498488 92.906 24 Nb 0.77021956504166 0.76761982306677 0.66353883501512 92.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.014356441450323 0.000000000000000 0.000000000000000 b 0.000000000000000 11.168297359999999 0.000000000000000 c -0.604834951085926 0.000000000000000 12.487966329479764 Atomic positions (fractional): 1 N 0.25000000000000 0.00505691177722 0.25000000000000 14.007 > 1 2 N 0.75000000000000 0.00505691177722 0.25000000000000 14.007 > 1 3 N 0.00000000000000 0.49494308822278 0.75000000000000 14.007 > 3 4 N 0.50000000000000 0.49494308822278 0.75000000000000 14.007 > 3 5 N 0.25000000000000 0.40648601586007 0.25000000000000 14.007 > 5 6 N 0.75000000000000 0.40648601586007 0.25000000000000 14.007 > 5 7 N 0.00000000000000 0.09351398413993 0.75000000000000 14.007 > 7 8 N 0.50000000000000 0.09351398413993 0.75000000000000 14.007 > 7 9 N 0.07962859043367 0.16282680841125 0.37690518222373 14.007 > 9 10 N 0.57962859043367 0.16282680841125 0.37690518222373 14.007 > 9 11 N 0.42037140956633 0.16282680841125 0.12309481777627 14.007 > 11 12 N 0.92037140956633 0.16282680841125 0.12309481777627 14.007 > 11 13 N 0.17037140956633 0.33717319158875 0.62309481777627 14.007 > 13 14 N 0.67037140956633 0.33717319158875 0.62309481777627 14.007 > 13 15 N 0.32962859043367 0.33717319158875 0.87690518222373 14.007 > 15 16 N 0.82962859043367 0.33717319158875 0.87690518222373 14.007 > 15 17 N 0.10259315895651 0.40667635219498 0.03941228970392 14.007 > 17 18 N 0.60259315895651 0.40667635219498 0.03941228970392 14.007 > 17 19 N 0.35259315895651 0.09332364780502 0.53941228970392 14.007 > 19 20 N 0.85259315895651 0.09332364780502 0.53941228970392 14.007 > 19 21 N 0.14740684104349 0.09332364780502 0.96058771029608 14.007 > 21 22 N 0.64740684104349 0.09332364780502 0.96058771029608 14.007 > 21 23 N 0.39740684104349 0.40667635219498 0.46058771029607 14.007 > 23 24 N 0.89740684104349 0.40667635219498 0.46058771029607 14.007 > 23 25 N 0.00000000000000 0.50505691177722 0.25000000000000 14.007 > 1 26 N 0.50000000000000 0.50505691177722 0.25000000000000 14.007 > 1 27 N 0.25000000000000 0.99494308822278 0.75000000000000 14.007 > 3 28 N 0.75000000000000 0.99494308822278 0.75000000000000 14.007 > 3 29 N 0.00000000000000 0.90648601586007 0.25000000000000 14.007 > 5 30 N 0.50000000000000 0.90648601586007 0.25000000000000 14.007 > 5 31 N 0.25000000000000 0.59351398413993 0.75000000000000 14.007 > 7 32 N 0.75000000000000 0.59351398413993 0.75000000000000 14.007 > 7 33 N 0.32962859043367 0.66282680841125 0.37690518222373 14.007 > 9 34 N 0.82962859043367 0.66282680841125 0.37690518222373 14.007 > 9 35 N 0.17037140956633 0.66282680841125 0.12309481777627 14.007 > 11 36 N 0.67037140956633 0.66282680841125 0.12309481777627 14.007 > 11 37 N 0.42037140956633 0.83717319158875 0.62309481777627 14.007 > 13 38 N 0.92037140956633 0.83717319158875 0.62309481777627 14.007 > 13 39 N 0.07962859043367 0.83717319158875 0.87690518222373 14.007 > 15 40 N 0.57962859043367 0.83717319158875 0.87690518222373 14.007 > 15 41 N 0.35259315895651 0.90667635219498 0.03941228970392 14.007 > 17 42 N 0.85259315895651 0.90667635219498 0.03941228970392 14.007 > 17 43 N 0.10259315895651 0.59332364780502 0.53941228970392 14.007 > 19 44 N 0.60259315895651 0.59332364780502 0.53941228970392 14.007 > 19 45 N 0.39740684104349 0.59332364780502 0.96058771029608 14.007 > 21 46 N 0.89740684104349 0.59332364780502 0.96058771029608 14.007 > 21 47 N 0.14740684104349 0.90667635219498 0.46058771029607 14.007 > 23 48 N 0.64740684104349 0.90667635219498 0.46058771029607 14.007 > 23 49 Sr 0.13618681778762 0.11541127779929 0.57760149753434 87.620 > 49 50 Sr 0.63618681778762 0.11541127779929 0.57760149753434 87.620 > 49 51 Sr 0.36952661853342 0.20232369490554 0.35793235198698 87.620 > 51 52 Sr 0.86952661853342 0.20232369490554 0.35793235198698 87.620 > 51 53 Sr 0.11952661853342 0.29767630509446 0.85793235198698 87.620 > 53 54 Sr 0.61952661853342 0.29767630509446 0.85793235198698 87.620 > 53 55 Sr 0.38047338146658 0.29767630509446 0.64206764801302 87.620 > 55 56 Sr 0.88047338146658 0.29767630509446 0.64206764801302 87.620 > 55 57 Sr 0.11381318221238 0.38458872220071 0.42239850246566 87.620 > 57 58 Sr 0.61381318221238 0.38458872220071 0.42239850246566 87.620 > 57 59 Sr 0.38618681778762 0.38458872220071 0.07760149753434 87.620 > 59 60 Sr 0.88618681778762 0.38458872220071 0.07760149753434 87.620 > 59 61 Sr 0.36381318221238 0.11541127779929 0.92239850246566 87.620 > 61 62 Sr 0.86381318221238 0.11541127779929 0.92239850246566 87.620 > 61 63 Sr 0.13047338146658 0.20232369490554 0.14206764801302 87.620 > 63 64 Sr 0.63047338146658 0.20232369490554 0.14206764801302 87.620 > 63 65 Sr 0.38618681778762 0.61541127779929 0.57760149753434 87.620 > 49 66 Sr 0.88618681778762 0.61541127779929 0.57760149753434 87.620 > 49 67 Sr 0.11952661853342 0.70232369490554 0.35793235198698 87.620 > 51 68 Sr 0.61952661853342 0.70232369490554 0.35793235198698 87.620 > 51 69 Sr 0.36952661853342 0.79767630509446 0.85793235198698 87.620 > 53 70 Sr 0.86952661853342 0.79767630509446 0.85793235198698 87.620 > 53 71 Sr 0.13047338146658 0.79767630509446 0.64206764801302 87.620 > 55 72 Sr 0.63047338146658 0.79767630509446 0.64206764801302 87.620 > 55 73 Sr 0.36381318221238 0.88458872220071 0.42239850246566 87.620 > 57 74 Sr 0.86381318221238 0.88458872220071 0.42239850246566 87.620 > 57 75 Sr 0.13618681778762 0.88458872220071 0.07760149753434 87.620 > 59 76 Sr 0.63618681778762 0.88458872220071 0.07760149753434 87.620 > 59 77 Sr 0.11381318221238 0.61541127779929 0.92239850246566 87.620 > 61 78 Sr 0.61381318221238 0.61541127779929 0.92239850246566 87.620 > 61 79 Sr 0.38047338146658 0.70232369490554 0.14206764801302 87.620 > 63 80 Sr 0.88047338146658 0.70232369490554 0.14206764801302 87.620 > 63 81 Nb 0.38445984702711 0.00129987098745 0.16353883501512 92.906 > 81 82 Nb 0.88445984702711 0.00129987098745 0.16353883501512 92.906 > 81 83 Nb 0.11554015297289 0.00129987098745 0.33646116498488 92.906 > 83 84 Nb 0.61554015297289 0.00129987098745 0.33646116498488 92.906 > 83 85 Nb 0.36554015297289 0.49870012901255 0.83646116498488 92.906 > 85 86 Nb 0.86554015297289 0.49870012901255 0.83646116498488 92.906 > 85 87 Nb 0.13445984702711 0.49870012901255 0.66353883501512 92.906 > 87 88 Nb 0.63445984702711 0.49870012901255 0.66353883501512 92.906 > 87 89 Nb 0.13445984702711 0.50129987098745 0.16353883501512 92.906 > 81 90 Nb 0.63445984702711 0.50129987098745 0.16353883501512 92.906 > 81 91 Nb 0.36554015297289 0.50129987098745 0.33646116498488 92.906 > 83 92 Nb 0.86554015297289 0.50129987098745 0.33646116498488 92.906 > 83 93 Nb 0.11554015297289 0.99870012901255 0.83646116498488 92.906 > 85 94 Nb 0.61554015297289 0.99870012901255 0.83646116498488 92.906 > 85 95 Nb 0.38445984702711 0.99870012901255 0.66353883501512 92.906 > 87 96 Nb 0.88445984702711 0.99870012901255 0.66353883501512 92.906 > 87 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.4702004 0.0000000 -0.0517637 0.0000000 5.9838571 0.0000000 -0.0517692 0.0000000 6.3530602 -------------------------- Born effective charges -------------------------- 1 N -4.9999282 0.0000000 2.0745251 0.0000000 -0.9811936 -0.0000000 2.1998668 -0.0000000 -2.8438472 2 N -4.9999282 0.0000000 2.0745251 0.0000000 -0.9811936 -0.0000000 2.1998668 -0.0000000 -2.8438472 3 N -3.5269456 0.0000000 -1.8762208 0.0000000 -2.0160555 -0.0000000 -1.3348821 -0.0000000 -2.5327327 4 N -3.5269456 0.0000000 -1.8762208 0.0000000 -2.0160555 -0.0000000 -1.3348821 -0.0000000 -2.5327327 5 N -2.1708301 0.6759871 0.0647096 0.4589766 -3.9055093 -0.7176120 -0.0139952 -0.8251336 -2.1204703 6 N -2.1708301 -0.6759871 0.0647096 -0.4589766 -3.9055093 0.7176120 -0.0139952 0.8251336 -2.1204703 7 N -2.1708301 0.6759871 0.0647096 0.4589766 -3.9055093 -0.7176120 -0.0139952 -0.8251336 -2.1204703 8 N -2.1708301 -0.6759871 0.0647096 -0.4589766 -3.9055093 0.7176120 -0.0139952 0.8251336 -2.1204703 9 N -2.0419022 -0.0979514 -0.1210657 -0.3116852 -2.7128429 -1.1149827 -0.3734028 -1.1759265 -3.6100598 10 N -2.0419022 0.0979514 -0.1210657 0.3116852 -2.7128429 1.1149827 -0.3734028 1.1759265 -3.6100598 11 N -2.0419022 -0.0979514 -0.1210657 -0.3116852 -2.7128429 -1.1149827 -0.3734028 -1.1759265 -3.6100598 12 N -2.0419022 0.0979514 -0.1210657 0.3116852 -2.7128429 1.1149827 -0.3734028 1.1759265 -3.6100598 13 Sr 2.1776550 0.0058861 -0.1003530 0.0004567 2.3269526 0.3430678 0.1644847 0.2511625 2.4500746 14 Sr 2.4678026 -0.0883447 0.1375930 -0.1778291 2.9064867 0.0849041 -0.0587079 -0.1688550 2.4927395 15 Sr 2.4678026 0.0883447 0.1375930 0.1778291 2.9064867 -0.0849041 -0.0587079 0.1688550 2.4927395 16 Sr 2.4678026 -0.0883447 0.1375930 -0.1778291 2.9064867 0.0849041 -0.0587079 -0.1688550 2.4927395 17 Sr 2.1776550 0.0058861 -0.1003530 0.0004567 2.3269526 0.3430678 0.1644847 0.2511625 2.4500746 18 Sr 2.1776550 -0.0058861 -0.1003530 -0.0004567 2.3269526 -0.3430678 0.1644847 -0.2511625 2.4500746 19 Sr 2.1776550 -0.0058861 -0.1003530 -0.0004567 2.3269526 -0.3430678 0.1644847 -0.2511625 2.4500746 20 Sr 2.4678026 0.0883447 0.1375930 0.1778291 2.9064867 -0.0849041 -0.0587079 0.1688550 2.4927395 21 Nb 3.8307117 -0.2639038 -0.0800360 0.2984735 2.8835374 0.3411509 -0.1508712 -0.1545495 3.4760061 22 Nb 3.8307117 0.2639038 -0.0800360 -0.2984735 2.8835374 -0.3411509 -0.1508712 0.1545495 3.4760061 23 Nb 3.8307117 -0.2639038 -0.0800360 0.2984735 2.8835374 0.3411509 -0.1508712 -0.1545495 3.4760061 24 Nb 3.8307117 0.2639038 -0.0800360 -0.2984735 2.8835374 -0.3411509 -0.1508712 0.1545495 3.4760061 ---------------------------------------------------------------------------- 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] [-0.0005 0.0000 0.0100] [ 0.0005 0.0000 -0.0100] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0005 0.0000 0.0100] [ 0.0005 0.0000 -0.0100] 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] [-0.0005 0.0000 0.0100] [ 0.0005 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0005 0.0000 0.0100] [ 0.0005 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0005 0.0000 0.0100] [ 0.0005 0.0000 -0.0100] Computing fc3[ 51, 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] [-0.0005 0.0000 0.0100] [ 0.0005 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0005 0.0000 0.0100] [ 0.0005 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yz) 0.00000000 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:40:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:40:20]------------------------- Compiled with OpenMP support (max 32 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 3.003589110362581 -5.584148679999999 0.000000000000000 b 3.003589110362581 5.584148679999999 0.000000000000000 c -0.604834951085926 0.000000000000000 12.487966329479764 Atomic positions (fractional): 1 N 0.49494308822278 0.50505691177722 0.25000000000000 14.007 2 N 0.50505691177722 0.49494308822278 0.75000000000000 14.007 3 N 0.09351398413993 0.90648601586007 0.25000000000000 14.007 4 N 0.90648601586007 0.09351398413993 0.75000000000000 14.007 5 N 0.99643037245609 0.32208398927860 0.37690518222373 14.007 6 N 0.67791601072140 0.00356962754391 0.12309481777627 14.007 7 N 0.00356962754391 0.67791601072140 0.62309481777627 14.007 8 N 0.32208398927860 0.99643037245609 0.87690518222373 14.007 9 N 0.79850996571803 0.61186267010799 0.03941228970392 14.007 10 N 0.61186267010799 0.79850996571803 0.53941228970392 14.007 11 N 0.20149003428197 0.38813732989201 0.96058771029608 14.007 12 N 0.38813732989201 0.20149003428197 0.46058771029607 14.007 13 Sr 0.15696235777595 0.38778491337453 0.57760149753434 87.620 14 Sr 0.53672954216131 0.94137693197238 0.35793235198698 87.620 15 Sr 0.94137693197238 0.53672954216131 0.85793235198698 87.620 16 Sr 0.46327045783869 0.05862306802762 0.64206764801302 87.620 17 Sr 0.84303764222405 0.61221508662547 0.42239850246566 87.620 18 Sr 0.38778491337453 0.15696235777595 0.07760149753434 87.620 19 Sr 0.61221508662547 0.84303764222405 0.92239850246566 87.620 20 Sr 0.05862306802762 0.46327045783869 0.14206764801302 87.620 21 Nb 0.76761982306677 0.77021956504166 0.16353883501512 92.906 22 Nb 0.22978043495834 0.23238017693323 0.33646116498488 92.906 23 Nb 0.23238017693323 0.22978043495834 0.83646116498488 92.906 24 Nb 0.77021956504166 0.76761982306677 0.66353883501512 92.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.014356441450323 0.000000000000000 0.000000000000000 b 0.000000000000000 11.168297359999999 0.000000000000000 c -0.604834951085926 0.000000000000000 12.487966329479764 Atomic positions (fractional): 1 N 0.25000000000000 0.00505691177722 0.25000000000000 14.007 > 1 2 N 0.75000000000000 0.00505691177722 0.25000000000000 14.007 > 1 3 N 0.00000000000000 0.49494308822278 0.75000000000000 14.007 > 3 4 N 0.50000000000000 0.49494308822278 0.75000000000000 14.007 > 3 5 N 0.25000000000000 0.40648601586007 0.25000000000000 14.007 > 5 6 N 0.75000000000000 0.40648601586007 0.25000000000000 14.007 > 5 7 N 0.00000000000000 0.09351398413993 0.75000000000000 14.007 > 7 8 N 0.50000000000000 0.09351398413993 0.75000000000000 14.007 > 7 9 N 0.07962859043367 0.16282680841125 0.37690518222373 14.007 > 9 10 N 0.57962859043367 0.16282680841125 0.37690518222373 14.007 > 9 11 N 0.42037140956633 0.16282680841125 0.12309481777627 14.007 > 11 12 N 0.92037140956633 0.16282680841125 0.12309481777627 14.007 > 11 13 N 0.17037140956633 0.33717319158875 0.62309481777627 14.007 > 13 14 N 0.67037140956633 0.33717319158875 0.62309481777627 14.007 > 13 15 N 0.32962859043367 0.33717319158875 0.87690518222373 14.007 > 15 16 N 0.82962859043367 0.33717319158875 0.87690518222373 14.007 > 15 17 N 0.10259315895651 0.40667635219498 0.03941228970392 14.007 > 17 18 N 0.60259315895651 0.40667635219498 0.03941228970392 14.007 > 17 19 N 0.35259315895651 0.09332364780502 0.53941228970392 14.007 > 19 20 N 0.85259315895651 0.09332364780502 0.53941228970392 14.007 > 19 21 N 0.14740684104349 0.09332364780502 0.96058771029608 14.007 > 21 22 N 0.64740684104349 0.09332364780502 0.96058771029608 14.007 > 21 23 N 0.39740684104349 0.40667635219498 0.46058771029607 14.007 > 23 24 N 0.89740684104349 0.40667635219498 0.46058771029607 14.007 > 23 25 N 0.00000000000000 0.50505691177722 0.25000000000000 14.007 > 1 26 N 0.50000000000000 0.50505691177722 0.25000000000000 14.007 > 1 27 N 0.25000000000000 0.99494308822278 0.75000000000000 14.007 > 3 28 N 0.75000000000000 0.99494308822278 0.75000000000000 14.007 > 3 29 N 0.00000000000000 0.90648601586007 0.25000000000000 14.007 > 5 30 N 0.50000000000000 0.90648601586007 0.25000000000000 14.007 > 5 31 N 0.25000000000000 0.59351398413993 0.75000000000000 14.007 > 7 32 N 0.75000000000000 0.59351398413993 0.75000000000000 14.007 > 7 33 N 0.32962859043367 0.66282680841125 0.37690518222373 14.007 > 9 34 N 0.82962859043367 0.66282680841125 0.37690518222373 14.007 > 9 35 N 0.17037140956633 0.66282680841125 0.12309481777627 14.007 > 11 36 N 0.67037140956633 0.66282680841125 0.12309481777627 14.007 > 11 37 N 0.42037140956633 0.83717319158875 0.62309481777627 14.007 > 13 38 N 0.92037140956633 0.83717319158875 0.62309481777627 14.007 > 13 39 N 0.07962859043367 0.83717319158875 0.87690518222373 14.007 > 15 40 N 0.57962859043367 0.83717319158875 0.87690518222373 14.007 > 15 41 N 0.35259315895651 0.90667635219498 0.03941228970392 14.007 > 17 42 N 0.85259315895651 0.90667635219498 0.03941228970392 14.007 > 17 43 N 0.10259315895651 0.59332364780502 0.53941228970392 14.007 > 19 44 N 0.60259315895651 0.59332364780502 0.53941228970392 14.007 > 19 45 N 0.39740684104349 0.59332364780502 0.96058771029608 14.007 > 21 46 N 0.89740684104349 0.59332364780502 0.96058771029608 14.007 > 21 47 N 0.14740684104349 0.90667635219498 0.46058771029607 14.007 > 23 48 N 0.64740684104349 0.90667635219498 0.46058771029607 14.007 > 23 49 Sr 0.13618681778762 0.11541127779929 0.57760149753434 87.620 > 49 50 Sr 0.63618681778762 0.11541127779929 0.57760149753434 87.620 > 49 51 Sr 0.36952661853342 0.20232369490554 0.35793235198698 87.620 > 51 52 Sr 0.86952661853342 0.20232369490554 0.35793235198698 87.620 > 51 53 Sr 0.11952661853342 0.29767630509446 0.85793235198698 87.620 > 53 54 Sr 0.61952661853342 0.29767630509446 0.85793235198698 87.620 > 53 55 Sr 0.38047338146658 0.29767630509446 0.64206764801302 87.620 > 55 56 Sr 0.88047338146658 0.29767630509446 0.64206764801302 87.620 > 55 57 Sr 0.11381318221238 0.38458872220071 0.42239850246566 87.620 > 57 58 Sr 0.61381318221238 0.38458872220071 0.42239850246566 87.620 > 57 59 Sr 0.38618681778762 0.38458872220071 0.07760149753434 87.620 > 59 60 Sr 0.88618681778762 0.38458872220071 0.07760149753434 87.620 > 59 61 Sr 0.36381318221238 0.11541127779929 0.92239850246566 87.620 > 61 62 Sr 0.86381318221238 0.11541127779929 0.92239850246566 87.620 > 61 63 Sr 0.13047338146658 0.20232369490554 0.14206764801302 87.620 > 63 64 Sr 0.63047338146658 0.20232369490554 0.14206764801302 87.620 > 63 65 Sr 0.38618681778762 0.61541127779929 0.57760149753434 87.620 > 49 66 Sr 0.88618681778762 0.61541127779929 0.57760149753434 87.620 > 49 67 Sr 0.11952661853342 0.70232369490554 0.35793235198698 87.620 > 51 68 Sr 0.61952661853342 0.70232369490554 0.35793235198698 87.620 > 51 69 Sr 0.36952661853342 0.79767630509446 0.85793235198698 87.620 > 53 70 Sr 0.86952661853342 0.79767630509446 0.85793235198698 87.620 > 53 71 Sr 0.13047338146658 0.79767630509446 0.64206764801302 87.620 > 55 72 Sr 0.63047338146658 0.79767630509446 0.64206764801302 87.620 > 55 73 Sr 0.36381318221238 0.88458872220071 0.42239850246566 87.620 > 57 74 Sr 0.86381318221238 0.88458872220071 0.42239850246566 87.620 > 57 75 Sr 0.13618681778762 0.88458872220071 0.07760149753434 87.620 > 59 76 Sr 0.63618681778762 0.88458872220071 0.07760149753434 87.620 > 59 77 Sr 0.11381318221238 0.61541127779929 0.92239850246566 87.620 > 61 78 Sr 0.61381318221238 0.61541127779929 0.92239850246566 87.620 > 61 79 Sr 0.38047338146658 0.70232369490554 0.14206764801302 87.620 > 63 80 Sr 0.88047338146658 0.70232369490554 0.14206764801302 87.620 > 63 81 Nb 0.38445984702711 0.00129987098745 0.16353883501512 92.906 > 81 82 Nb 0.88445984702711 0.00129987098745 0.16353883501512 92.906 > 81 83 Nb 0.11554015297289 0.00129987098745 0.33646116498488 92.906 > 83 84 Nb 0.61554015297289 0.00129987098745 0.33646116498488 92.906 > 83 85 Nb 0.36554015297289 0.49870012901255 0.83646116498488 92.906 > 85 86 Nb 0.86554015297289 0.49870012901255 0.83646116498488 92.906 > 85 87 Nb 0.13445984702711 0.49870012901255 0.66353883501512 92.906 > 87 88 Nb 0.63445984702711 0.49870012901255 0.66353883501512 92.906 > 87 89 Nb 0.13445984702711 0.50129987098745 0.16353883501512 92.906 > 81 90 Nb 0.63445984702711 0.50129987098745 0.16353883501512 92.906 > 81 91 Nb 0.36554015297289 0.50129987098745 0.33646116498488 92.906 > 83 92 Nb 0.86554015297289 0.50129987098745 0.33646116498488 92.906 > 83 93 Nb 0.11554015297289 0.99870012901255 0.83646116498488 92.906 > 85 94 Nb 0.61554015297289 0.99870012901255 0.83646116498488 92.906 > 85 95 Nb 0.38445984702711 0.99870012901255 0.66353883501512 92.906 > 87 96 Nb 0.88445984702711 0.99870012901255 0.66353883501512 92.906 > 87 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.4702004 0.0000000 -0.0517637 0.0000000 5.9838571 0.0000000 -0.0517692 0.0000000 6.3530602 -------------------------- Born effective charges -------------------------- 1 N -4.9999282 0.0000000 2.0745251 0.0000000 -0.9811936 -0.0000000 2.1998668 -0.0000000 -2.8438472 2 N -4.9999282 0.0000000 2.0745251 0.0000000 -0.9811936 -0.0000000 2.1998668 -0.0000000 -2.8438472 3 N -3.5269456 0.0000000 -1.8762208 0.0000000 -2.0160555 -0.0000000 -1.3348821 -0.0000000 -2.5327327 4 N -3.5269456 0.0000000 -1.8762208 0.0000000 -2.0160555 -0.0000000 -1.3348821 -0.0000000 -2.5327327 5 N -2.1708301 0.6759871 0.0647096 0.4589766 -3.9055093 -0.7176120 -0.0139952 -0.8251336 -2.1204703 6 N -2.1708301 -0.6759871 0.0647096 -0.4589766 -3.9055093 0.7176120 -0.0139952 0.8251336 -2.1204703 7 N -2.1708301 0.6759871 0.0647096 0.4589766 -3.9055093 -0.7176120 -0.0139952 -0.8251336 -2.1204703 8 N -2.1708301 -0.6759871 0.0647096 -0.4589766 -3.9055093 0.7176120 -0.0139952 0.8251336 -2.1204703 9 N -2.0419022 -0.0979514 -0.1210657 -0.3116852 -2.7128429 -1.1149827 -0.3734028 -1.1759265 -3.6100598 10 N -2.0419022 0.0979514 -0.1210657 0.3116852 -2.7128429 1.1149827 -0.3734028 1.1759265 -3.6100598 11 N -2.0419022 -0.0979514 -0.1210657 -0.3116852 -2.7128429 -1.1149827 -0.3734028 -1.1759265 -3.6100598 12 N -2.0419022 0.0979514 -0.1210657 0.3116852 -2.7128429 1.1149827 -0.3734028 1.1759265 -3.6100598 13 Sr 2.1776550 0.0058861 -0.1003530 0.0004567 2.3269526 0.3430678 0.1644847 0.2511625 2.4500746 14 Sr 2.4678026 -0.0883447 0.1375930 -0.1778291 2.9064867 0.0849041 -0.0587079 -0.1688550 2.4927395 15 Sr 2.4678026 0.0883447 0.1375930 0.1778291 2.9064867 -0.0849041 -0.0587079 0.1688550 2.4927395 16 Sr 2.4678026 -0.0883447 0.1375930 -0.1778291 2.9064867 0.0849041 -0.0587079 -0.1688550 2.4927395 17 Sr 2.1776550 0.0058861 -0.1003530 0.0004567 2.3269526 0.3430678 0.1644847 0.2511625 2.4500746 18 Sr 2.1776550 -0.0058861 -0.1003530 -0.0004567 2.3269526 -0.3430678 0.1644847 -0.2511625 2.4500746 19 Sr 2.1776550 -0.0058861 -0.1003530 -0.0004567 2.3269526 -0.3430678 0.1644847 -0.2511625 2.4500746 20 Sr 2.4678026 0.0883447 0.1375930 0.1778291 2.9064867 -0.0849041 -0.0587079 0.1688550 2.4927395 21 Nb 3.8307117 -0.2639038 -0.0800360 0.2984735 2.8835374 0.3411509 -0.1508712 -0.1545495 3.4760061 22 Nb 3.8307117 0.2639038 -0.0800360 -0.2984735 2.8835374 -0.3411509 -0.1508712 0.1545495 3.4760061 23 Nb 3.8307117 -0.2639038 -0.0800360 0.2984735 2.8835374 0.3411509 -0.1508712 -0.1545495 3.4760061 24 Nb 3.8307117 0.2639038 -0.0800360 -0.2984735 2.8835374 -0.3411509 -0.1508712 0.1545495 3.4760061 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 9 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.56, Number of G-points: 305, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/95) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.545 ( 0.000 0.000 0.000) 0.000 2.191 ( 0.000 0.000 0.000) 0.000 2.233 ( 0.000 0.000 0.000) 0.000 2.321 ( 0.000 0.000 0.000) 0.000 2.666 ( 0.000 0.000 0.000) 0.000 2.980 ( 0.000 0.000 0.000) 0.000 2.987 ( 0.000 0.000 0.000) 0.000 3.069 ( 0.000 0.000 0.000) 0.000 3.169 ( 0.000 0.000 0.000) 0.000 3.326 ( 0.000 0.000 0.000) 0.000 3.422 ( 0.000 0.000 0.000) 0.000 3.801 ( 0.000 0.000 0.000) 0.000 3.954 ( 0.000 0.000 0.000) 0.000 3.991 ( 0.000 0.000 0.000) 0.000 4.025 ( 0.000 0.000 0.000) 0.000 4.175 ( 0.000 0.000 0.000) 0.000 4.182 ( 0.000 0.000 0.000) 0.000 4.366 ( 0.000 0.000 0.000) 0.000 4.481 ( 0.000 0.000 0.000) 0.000 4.503 ( 0.000 0.000 0.000) 0.000 4.614 ( 0.000 0.000 0.000) 0.000 4.795 ( 0.000 0.000 0.000) 0.000 5.000 ( 0.000 0.000 0.000) 0.000 5.136 ( 0.000 0.000 0.000) 0.000 5.207 ( 0.000 0.000 0.000) 0.000 5.247 ( 0.000 0.000 0.000) 0.000 5.326 ( 0.000 0.000 0.000) 0.000 5.688 ( 0.000 0.000 0.000) 0.000 5.706 ( 0.000 0.000 0.000) 0.000 5.707 ( 0.000 0.000 0.000) 0.000 5.872 ( 0.000 0.000 0.000) 0.000 6.121 ( 0.000 0.000 0.000) 0.000 6.226 ( 0.000 0.000 0.000) 0.000 6.408 ( 0.000 0.000 0.000) 0.000 6.703 ( 0.000 0.000 0.000) 0.000 7.299 ( 0.000 0.000 0.000) 0.000 7.614 ( 0.000 0.000 0.000) 0.000 7.760 ( 0.000 0.000 0.000) 0.000 7.865 ( 0.000 0.000 0.000) 0.000 8.312 ( 0.000 0.000 0.000) 0.000 8.404 ( 0.000 0.000 0.000) 0.000 9.062 ( 0.000 0.000 0.000) 0.000 9.281 ( 0.000 0.000 0.000) 0.000 9.332 ( 0.000 0.000 0.000) 0.000 9.644 ( 0.000 0.000 0.000) 0.000 9.741 ( 0.000 0.000 0.000) 0.000 10.048 ( 0.000 0.000 0.000) 0.000 10.161 ( 0.000 0.000 0.000) 0.000 10.414 ( 0.000 0.000 0.000) 0.000 10.718 ( 0.000 0.000 0.000) 0.000 11.169 ( 0.000 0.000 0.000) 0.000 11.383 ( 0.000 0.000 0.000) 0.000 11.474 ( 0.000 0.000 0.000) 0.000 11.649 ( 0.000 0.000 0.000) 0.000 11.685 ( 0.000 0.000 0.000) 0.000 15.341 ( 0.000 0.000 0.000) 0.000 15.361 ( 0.000 0.000 0.000) 0.000 19.445 ( 0.000 0.000 0.000) 0.000 19.660 ( 0.000 0.000 0.000) 0.000 20.508 ( 0.000 0.000 0.000) 0.000 20.715 ( 0.000 0.000 0.000) 0.000 20.747 ( 0.000 0.000 0.000) 0.000 21.079 ( 0.000 0.000 0.000) 0.000 21.381 ( 0.000 0.000 0.000) 0.000 23.296 ( 0.000 0.000 0.000) 0.000 24.083 ( 0.000 0.000 0.000) 0.000 24.476 ( 0.000 0.000 0.000) 0.000 26.661 ( 0.000 0.000 0.000) 0.000 26.799 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/95) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.558 ( 20.366 -15.844 10.069) 27.698 0.622 ( 22.927 -18.296 4.104) 29.618 1.037 ( 38.892 -23.269 -5.842) 45.696 1.827 ( 24.533 -1.127 5.406) 25.147 2.149 ( -7.743 -1.785 -8.270) 11.469 2.256 ( 0.653 -7.276 13.864) 15.671 2.424 ( 9.497 -1.400 -17.267) 19.756 2.608 ( -5.284 -2.585 6.212) 8.555 2.928 ( -2.246 -0.305 -0.924) 2.448 2.959 ( -0.275 2.449 -1.684) 2.985 3.095 ( 1.938 -0.324 -2.521) 3.196 3.228 ( -5.610 0.272 2.862) 6.304 3.296 ( 2.772 -4.174 1.261) 5.167 3.481 ( -2.869 4.362 -1.274) 5.374 3.735 ( -4.481 2.147 -0.113) 4.970 3.920 ( -4.921 0.576 -1.452) 5.163 3.946 ( -3.027 0.665 -0.343) 3.118 4.005 ( -4.082 0.827 7.036) 8.176 4.123 ( -2.943 1.614 -3.037) 4.527 4.159 ( -2.547 -2.397 1.489) 3.801 4.374 ( 1.854 6.860 -0.718) 7.142 4.417 ( -4.045 3.513 2.045) 5.735 4.515 ( 1.210 -0.789 -1.904) 2.390 4.686 ( -2.946 14.275 0.287) 14.579 4.841 ( 4.262 0.349 1.838) 4.654 5.009 ( 0.469 1.893 -2.805) 3.417 5.207 ( -1.438 -3.799 0.561) 4.101 5.225 ( -9.045 0.051 5.461) 10.566 5.251 ( 3.787 0.054 -2.348) 4.456 5.459 ( -3.026 0.416 -14.628) 14.944 5.656 ( -0.893 0.793 -3.499) 3.698 5.764 ( 0.038 -4.081 -9.192) 10.057 5.931 ( -0.873 2.715 19.055) 19.267 5.998 ( 5.624 0.650 -3.700) 6.763 6.125 ( -6.869 -4.775 -4.169) 9.347 6.297 ( 9.051 0.542 -5.559) 10.636 6.474 ( 6.424 1.480 8.846) 11.032 6.840 ( 9.425 -0.785 21.414) 23.409 7.317 ( -6.473 -6.160 -2.649) 9.320 7.616 ( -2.155 -2.502 6.507) 7.297 7.793 ( 3.008 0.110 -0.281) 3.023 7.987 ( 13.429 4.488 -17.880) 22.807 8.391 ( 3.892 -2.996 7.626) 9.070 8.508 ( 10.076 0.350 -10.136) 14.297 8.975 ( -17.083 5.361 10.502) 20.757 9.130 ( -11.634 0.427 -2.534) 11.914 9.478 ( -20.349 -2.596 -0.511) 20.520 9.567 ( 3.128 -4.526 5.987) 8.131 10.161 ( 4.799 5.000 1.888) 7.183 10.289 ( 10.408 5.817 -1.162) 11.980 10.310 ( 15.235 13.289 -2.109) 20.326 10.405 ( -1.279 0.715 4.449) 4.684 10.834 ( 7.777 -3.141 2.110) 8.649 11.037 ( -8.984 3.339 -7.384) 12.099 11.363 ( -2.415 -0.533 -5.237) 5.792 11.484 ( 3.354 0.153 2.674) 4.292 11.729 ( 3.278 0.521 -4.911) 5.927 11.812 ( 11.331 0.853 7.889) 13.833 15.330 ( -0.934 0.062 -1.173) 1.501 15.431 ( -3.910 -8.639 0.560) 9.500 19.626 ( 2.325 8.804 7.948) 12.087 19.726 ( 2.643 1.704 11.075) 11.513 20.545 ( 2.366 -2.250 -2.438) 4.075 20.778 ( 1.994 -2.646 -1.266) 3.547 20.916 ( 7.064 11.206 10.897) 17.153 21.261 ( -6.941 -13.944 19.153) 24.687 23.038 ( -14.459 5.925 -18.591) 24.286 23.285 ( -14.845 -13.008 -26.962) 33.414 24.157 ( 6.086 -2.229 -1.103) 6.574 24.527 ( 3.848 -0.449 0.758) 3.948 26.818 ( 1.808 -0.047 2.773) 3.311 27.032 ( 8.560 13.647 -17.036) 23.446 ======================= Grid point 2 (3/95) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( 14.505 -16.566 4.864) 22.549 1.211 ( 22.238 -14.066 10.486) 28.326 1.644 ( 3.322 -5.708 -9.996) 11.981 2.128 ( 3.834 -13.117 -5.130) 14.597 2.247 ( 8.258 -5.081 4.088) 10.523 2.365 ( 5.172 -8.488 2.571) 10.267 2.562 ( 8.235 5.701 -9.255) 13.637 2.653 ( 5.216 -5.835 6.399) 10.110 2.912 ( 0.843 4.281 0.828) 4.441 3.030 ( 4.240 0.351 0.211) 4.260 3.060 ( 0.757 -5.945 -5.630) 8.223 3.192 ( 2.809 -3.823 -0.467) 4.767 3.276 ( -7.510 6.878 -1.856) 10.351 3.388 ( -1.464 -0.336 3.521) 3.828 3.673 ( -4.638 -3.255 -3.034) 6.427 3.725 ( -12.497 0.595 1.576) 12.610 3.874 ( -4.711 1.598 1.256) 5.131 3.891 ( -3.769 -2.886 3.078) 5.657 4.111 ( -0.196 1.604 3.903) 4.224 4.123 ( -2.652 -0.259 0.661) 2.745 4.305 ( -0.023 6.590 -0.028) 6.591 4.362 ( 3.013 5.182 -0.873) 6.058 4.439 ( -6.450 10.456 0.839) 12.314 4.596 ( 3.036 -1.250 -4.101) 5.253 4.878 ( 0.239 4.825 -0.298) 4.840 4.960 ( -5.929 3.687 -0.179) 6.984 5.090 ( 1.939 -0.787 -2.574) 3.317 5.180 ( -7.009 -0.985 8.122) 10.773 5.319 ( 3.642 -0.056 -1.219) 3.841 5.406 ( 2.387 3.596 -4.952) 6.569 5.614 ( -3.051 0.549 3.183) 4.443 5.736 ( -3.211 -1.633 -4.968) 6.137 5.945 ( 1.153 -1.796 2.677) 3.423 6.065 ( 4.292 -3.614 -3.102) 6.412 6.256 ( 8.025 -1.693 -5.941) 10.128 6.387 ( 4.505 -0.408 -5.068) 6.793 6.601 ( 7.703 1.427 7.500) 10.845 6.993 ( 3.405 0.630 6.753) 7.589 7.372 ( 12.649 4.647 3.123) 13.832 7.609 ( 0.065 -0.903 6.809) 6.869 7.869 ( 4.769 0.230 0.574) 4.809 8.160 ( 10.822 5.314 -14.436) 18.808 8.483 ( -3.600 -2.087 6.826) 7.994 8.586 ( -2.528 6.933 -3.574) 8.200 8.597 ( -10.559 5.683 5.380) 13.143 8.982 ( -10.414 -3.838 -6.945) 13.093 9.192 ( -5.095 -6.194 -2.580) 8.425 9.586 ( -9.199 -4.899 0.134) 10.423 10.096 ( -5.028 4.124 5.922) 8.795 10.317 ( -3.883 2.347 6.864) 8.228 10.394 ( 7.936 2.213 3.451) 8.932 10.562 ( 11.820 0.688 -0.846) 11.870 10.891 ( 1.180 4.809 -10.200) 11.339 11.035 ( 7.553 -4.541 2.834) 9.258 11.293 ( -5.376 -1.515 -6.477) 8.553 11.559 ( 3.656 0.763 5.011) 6.250 11.823 ( 9.180 3.043 -7.350) 12.148 12.006 ( 10.763 3.642 7.013) 13.352 15.307 ( -1.539 -0.461 -1.798) 2.411 15.450 ( -0.252 -2.520 1.214) 2.808 19.601 ( 1.988 5.312 5.903) 8.186 19.759 ( 1.165 -0.012 -1.457) 1.866 20.616 ( 3.201 -1.787 -3.563) 5.112 20.860 ( 1.765 -5.805 -2.602) 6.602 20.953 ( 3.450 2.721 6.897) 8.178 21.321 ( -1.007 -10.942 12.729) 16.816 22.664 ( -15.256 9.579 -6.026) 18.995 23.027 ( -17.364 -2.230 -12.935) 21.767 24.303 ( 6.058 -2.592 -0.708) 6.627 24.597 ( 3.603 1.307 0.791) 3.914 26.867 ( 3.096 0.130 2.658) 4.083 27.040 ( 4.022 6.314 -5.442) 9.255 ======================= Grid point 3 (4/95) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( -3.821 -13.162 -2.237) 13.887 1.598 ( 11.031 2.509 0.664) 11.333 1.799 ( 15.842 -16.091 0.523) 22.587 2.173 ( -4.070 0.132 2.207) 4.632 2.275 ( -9.400 1.784 -0.005) 9.568 2.506 ( 1.276 -11.902 5.864) 13.329 2.586 ( 2.303 6.346 -6.251) 9.201 2.846 ( 1.802 -0.099 -2.447) 3.040 2.973 ( -3.988 7.126 -1.139) 8.245 3.048 ( 11.087 -12.771 2.862) 17.153 3.131 ( 0.450 -0.418 -6.324) 6.354 3.256 ( 3.578 -4.073 -5.151) 7.478 3.276 ( -0.446 -1.479 4.984) 5.218 3.339 ( -5.429 -2.461 2.291) 6.385 3.436 ( -4.992 -1.492 1.666) 5.470 3.733 ( -2.436 -0.386 -2.125) 3.255 3.822 ( 1.882 0.300 2.018) 2.776 3.882 ( -1.412 0.270 2.370) 2.772 4.048 ( -5.223 -7.947 2.967) 9.962 4.109 ( 2.512 6.522 1.700) 7.192 4.204 ( -4.150 10.360 -3.879) 11.815 4.295 ( 2.997 3.442 0.155) 4.567 4.418 ( 5.109 -0.138 0.209) 5.115 4.610 ( -4.722 1.804 5.553) 7.509 4.778 ( -6.147 5.153 -3.451) 8.732 4.882 ( 7.948 3.659 -5.428) 10.296 5.021 ( -5.466 1.375 2.034) 5.992 5.230 ( 5.609 -0.973 -1.294) 5.838 5.411 ( 4.559 -3.851 3.607) 6.973 5.448 ( 4.231 1.030 -2.875) 5.218 5.568 ( -1.084 0.960 1.751) 2.272 5.679 ( -2.899 -0.308 -2.622) 3.921 5.978 ( 0.417 -1.235 2.479) 2.801 6.223 ( 8.191 0.863 -4.476) 9.374 6.326 ( 2.936 -1.220 -0.580) 3.231 6.471 ( 1.623 -0.635 -3.123) 3.577 6.760 ( 7.789 -2.224 4.292) 9.167 7.035 ( 4.682 2.332 0.031) 5.230 7.538 ( 3.879 4.634 2.870) 6.690 7.688 ( 7.902 0.572 2.084) 8.193 7.964 ( 9.247 4.534 4.507) 11.242 8.121 ( -15.055 2.982 -0.114) 15.348 8.286 ( -6.982 1.763 -0.465) 7.216 8.383 ( 0.475 -0.179 -8.335) 8.351 8.617 ( -2.436 1.225 2.146) 3.470 8.784 ( -3.684 2.909 -1.403) 4.899 9.300 ( -15.675 -5.202 -1.287) 16.566 9.390 ( 2.631 -5.131 0.420) 5.782 9.956 ( -4.703 4.789 1.828) 6.956 10.209 ( -5.821 0.939 5.057) 7.768 10.548 ( 5.053 -5.486 2.231) 7.785 10.730 ( 11.154 6.231 -2.342) 12.990 10.950 ( 8.225 4.819 -7.999) 12.444 11.173 ( 0.513 -3.638 3.482) 5.062 11.221 ( -2.108 -4.827 -3.154) 6.140 11.595 ( 0.418 0.582 4.899) 4.951 11.963 ( 8.615 2.343 -5.781) 10.636 12.139 ( 7.291 4.522 4.304) 9.599 15.283 ( -1.502 -0.783 -1.628) 2.349 15.472 ( 0.815 -0.506 1.222) 1.554 19.609 ( 2.152 1.906 6.612) 7.210 19.761 ( -0.101 0.983 -6.410) 6.486 20.689 ( 3.439 -0.742 -4.080) 5.387 20.931 ( -0.447 -6.489 -3.208) 7.253 20.994 ( 1.769 0.491 6.297) 6.559 21.461 ( 3.268 -9.069 11.287) 14.844 22.317 ( -11.347 7.129 -4.026) 13.992 22.713 ( -14.755 2.161 -7.325) 16.614 24.412 ( 3.512 -1.372 -0.182) 3.774 24.632 ( 1.893 1.798 0.434) 2.646 26.924 ( 2.804 0.299 1.190) 3.061 27.044 ( 1.993 3.386 -1.492) 4.203 ======================= Grid point 4 (5/95) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( -1.229 -4.642 -3.193) 5.767 1.797 ( 8.062 -1.648 -1.078) 8.299 2.030 ( -5.763 -0.888 -2.800) 6.469 2.051 ( -6.143 3.741 4.251) 8.354 2.283 ( 12.888 -10.478 5.928) 17.636 2.505 ( -1.970 6.304 -2.100) 6.930 2.631 ( 0.689 -4.672 1.870) 5.080 2.742 ( -5.375 8.002 -4.168) 10.502 2.909 ( -2.698 -3.664 -0.690) 4.602 3.068 ( -2.335 -2.336 -3.011) 4.469 3.138 ( -2.819 4.448 5.640) 7.716 3.316 ( 5.412 -2.521 -0.222) 5.974 3.364 ( 0.771 -4.432 -5.141) 6.831 3.412 ( 2.569 -8.978 1.146) 9.408 3.520 ( 3.415 -7.817 2.241) 8.820 3.618 ( -6.040 8.844 2.296) 10.953 3.756 ( -0.843 8.098 -2.349) 8.474 3.850 ( -0.832 -0.955 0.034) 1.267 3.998 ( -2.670 3.660 0.779) 4.597 4.139 ( 2.018 -6.844 -0.620) 7.162 4.191 ( 2.689 -0.736 -1.483) 3.158 4.293 ( -0.679 6.760 1.252) 6.908 4.496 ( -1.340 -2.712 4.448) 5.380 4.529 ( 0.616 -0.266 -1.431) 1.580 4.665 ( 0.836 2.197 -1.678) 2.888 4.834 ( -4.845 4.550 1.198) 6.754 5.107 ( 7.254 -1.144 -2.245) 7.679 5.280 ( 0.261 0.828 -1.652) 1.866 5.475 ( 1.443 0.019 0.959) 1.733 5.521 ( 0.009 -0.839 0.003) 0.839 5.599 ( -0.040 -5.909 -0.710) 5.952 5.667 ( 4.423 3.710 1.722) 6.024 5.985 ( -0.025 -0.092 0.464) 0.474 6.300 ( 1.960 2.440 -1.435) 3.443 6.386 ( 2.002 -0.372 -1.625) 2.605 6.505 ( 2.182 -0.912 0.158) 2.370 6.910 ( 5.516 -2.064 2.384) 6.354 7.109 ( 1.684 1.849 -0.642) 2.582 7.465 ( 0.674 0.704 0.476) 1.084 7.683 ( -17.004 -1.026 1.472) 17.098 7.877 ( 2.158 2.985 1.785) 4.093 8.153 ( 12.220 5.685 1.091) 13.522 8.225 ( -1.763 -2.294 -3.395) 4.460 8.462 ( 3.480 -1.867 -4.627) 6.083 8.542 ( 4.053 4.543 -0.525) 6.111 8.754 ( -1.916 -0.054 0.977) 2.151 8.925 ( -20.512 -3.303 3.041) 20.997 9.559 ( 4.853 -2.419 1.691) 5.680 9.858 ( -1.624 2.310 -0.381) 2.850 10.109 ( -3.435 0.775 0.990) 3.658 10.686 ( 4.230 -5.190 -2.868) 7.283 10.789 ( 0.567 5.917 2.248) 6.355 11.048 ( 7.786 3.485 -9.586) 12.832 11.157 ( -4.678 -4.656 7.744) 10.175 11.289 ( 2.127 -1.569 -1.179) 2.894 11.583 ( -0.892 0.262 2.492) 2.659 12.060 ( 3.443 0.704 -2.100) 4.094 12.195 ( 2.350 2.275 1.299) 3.519 15.267 ( -0.612 -0.388 -0.646) 0.971 15.488 ( 0.445 -0.020 0.509) 0.676 19.648 ( 1.843 -0.343 6.110) 6.391 19.728 ( -1.117 1.295 -6.407) 6.631 20.740 ( 1.614 -0.040 -2.012) 2.580 20.973 ( -0.059 -3.280 -2.957) 4.417 21.015 ( 0.226 -0.027 4.025) 4.031 21.582 ( 1.281 -2.862 6.795) 7.483 22.149 ( -1.856 0.875 -3.503) 4.060 22.462 ( -7.680 2.705 -2.351) 8.475 24.461 ( 1.059 -0.332 -0.010) 1.110 24.640 ( 0.541 0.788 0.119) 0.963 26.960 ( 1.098 0.160 0.252) 1.138 27.044 ( 0.598 1.115 -0.221) 1.284 ======================= Grid point 10 (6/95) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( 18.531 0.000 -7.030) 19.820 1.019 ( 26.062 0.000 10.789) 28.207 1.626 ( 27.890 0.000 -0.035) 27.890 1.911 ( -8.509 -0.000 -6.387) 10.640 2.228 ( -1.373 -0.000 0.154) 1.382 2.300 ( 15.021 0.000 4.330) 15.633 2.582 ( 5.475 0.000 9.886) 11.301 2.660 ( 15.641 0.000 -10.074) 18.604 2.926 ( 2.479 0.000 -2.368) 3.428 2.989 ( 1.678 0.000 -0.688) 1.814 3.066 ( -4.994 -0.000 3.395) 6.039 3.145 ( 3.164 0.000 -3.993) 5.095 3.348 ( 2.138 0.000 1.170) 2.437 3.369 ( -9.850 -0.000 -1.303) 9.936 3.639 ( -8.461 -0.000 -8.304) 11.855 3.727 ( -12.190 -0.000 2.119) 12.373 3.862 ( -3.531 -0.000 4.673) 5.858 3.917 ( -6.276 -0.000 6.235) 8.846 4.071 ( -5.352 -0.000 2.240) 5.802 4.162 ( 3.888 0.000 -0.343) 3.903 4.367 ( -2.385 -0.000 4.663) 5.238 4.459 ( 2.107 0.000 -2.302) 3.120 4.554 ( 3.431 0.000 -4.011) 5.278 4.589 ( -10.030 -0.000 -0.907) 10.071 4.935 ( 3.631 0.000 0.827) 3.724 4.990 ( -2.836 -0.000 -3.696) 4.658 5.082 ( -3.470 -0.000 1.707) 3.867 5.178 ( -2.869 -0.000 4.297) 5.167 5.301 ( 1.901 0.000 -0.887) 2.098 5.476 ( 1.674 0.000 -6.680) 6.886 5.605 ( -3.308 -0.000 -2.180) 3.962 5.695 ( -4.833 -0.000 -4.213) 6.412 5.921 ( -1.178 -0.000 6.243) 6.353 6.018 ( 6.379 0.000 0.746) 6.422 6.225 ( 12.818 0.000 -9.832) 16.154 6.394 ( 0.158 0.000 -1.707) 1.715 6.613 ( 6.869 0.000 10.638) 12.663 6.985 ( 4.144 0.000 3.433) 5.381 7.415 ( 15.015 0.000 6.514) 16.367 7.601 ( 0.893 0.000 2.788) 2.927 7.870 ( 5.387 0.000 0.029) 5.387 8.218 ( 9.544 0.000 -13.727) 16.719 8.461 ( -0.853 -0.000 8.122) 8.167 8.660 ( -19.576 -0.000 11.505) 22.706 8.721 ( 7.344 0.000 -13.048) 14.973 8.880 ( -12.316 -0.000 -2.835) 12.639 9.125 ( -6.055 -0.000 -3.046) 6.778 9.531 ( -8.504 -0.000 -0.119) 8.505 10.147 ( -4.813 -0.000 6.703) 8.252 10.342 ( -5.520 -0.000 5.878) 8.064 10.438 ( -0.764 -0.000 12.743) 12.766 10.552 ( 14.481 0.000 -4.598) 15.193 10.967 ( 7.048 0.000 9.687) 11.980 10.987 ( 2.594 0.000 -21.314) 21.471 11.266 ( -6.000 -0.000 -9.246) 11.022 11.570 ( 3.651 0.000 5.698) 6.767 11.849 ( 8.662 0.000 -8.708) 12.283 12.043 ( 10.871 0.000 8.212) 13.624 15.306 ( -1.429 -0.000 -1.593) 2.140 15.414 ( 2.179 0.000 1.644) 2.729 19.711 ( 2.399 0.000 -8.881) 9.200 19.716 ( -2.385 -0.000 16.397) 16.570 20.612 ( 5.815 0.000 -5.666) 8.119 20.772 ( -0.829 -0.000 -0.133) 0.840 21.096 ( 3.930 0.000 1.775) 4.312 21.096 ( -0.813 -0.000 22.763) 22.777 22.871 ( -18.893 -0.000 4.242) 19.363 22.894 ( -10.472 -0.000 -32.828) 34.458 24.270 ( 6.779 0.000 -0.999) 6.852 24.612 ( 4.008 0.000 1.979) 4.470 26.868 ( 3.190 0.000 2.729) 4.198 27.117 ( 0.194 0.000 -6.884) 6.886 ======================= Grid point 11 (7/95) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( 4.678 -7.040 -11.082) 13.938 1.522 ( 21.502 -8.402 5.583) 23.751 1.766 ( 8.204 12.336 -4.063) 15.362 2.079 ( 6.774 -14.940 2.745) 16.632 2.203 ( -1.900 -1.784 -5.852) 6.406 2.372 ( -4.354 -0.087 9.830) 10.751 2.756 ( 1.258 6.530 5.698) 8.757 2.800 ( 8.411 -1.577 -6.407) 10.690 2.957 ( 4.602 -0.180 3.066) 5.533 3.029 ( 1.821 -1.404 -3.553) 4.232 3.139 ( -2.124 1.505 -5.375) 5.972 3.186 ( -3.979 -0.707 -1.336) 4.256 3.229 ( 0.554 -1.322 -5.416) 5.602 3.324 ( -1.097 -2.542 4.579) 5.351 3.418 ( -3.799 -0.652 3.696) 5.340 3.705 ( 0.334 -1.412 -3.736) 4.008 3.801 ( -1.707 0.466 4.777) 5.094 3.843 ( -1.141 -1.360 3.555) 3.974 3.952 ( -8.887 -3.349 2.321) 9.777 4.204 ( 1.523 2.902 0.927) 3.406 4.359 ( 1.131 2.186 2.602) 3.582 4.363 ( -4.713 3.113 0.504) 5.671 4.522 ( 4.322 7.533 -4.391) 9.732 4.614 ( 0.063 -1.414 1.825) 2.309 4.889 ( -4.547 4.974 -3.558) 7.621 4.943 ( 2.601 1.457 -2.324) 3.781 5.053 ( -5.515 1.549 0.620) 5.762 5.181 ( 7.044 -2.423 1.173) 7.541 5.333 ( -0.063 -3.587 1.007) 3.726 5.488 ( 2.310 2.460 -3.227) 4.669 5.582 ( -3.224 0.814 1.199) 3.534 5.644 ( 1.629 -2.962 -2.519) 4.216 5.946 ( 1.636 -1.212 4.259) 4.721 6.202 ( 10.073 -1.605 -3.342) 10.734 6.336 ( -0.746 2.118 -2.099) 3.074 6.415 ( 2.804 -3.813 -4.292) 6.390 6.745 ( 6.710 0.114 6.202) 9.138 7.049 ( 4.068 -0.291 -1.902) 4.500 7.619 ( 0.850 2.816 1.216) 3.183 7.691 ( 8.571 -0.308 4.275) 9.583 8.013 ( 11.592 0.720 2.642) 11.911 8.158 ( -16.948 1.019 2.519) 17.164 8.340 ( -12.108 2.100 1.530) 12.383 8.400 ( 3.016 1.074 -10.188) 10.679 8.663 ( -5.630 3.068 1.164) 6.516 8.795 ( -0.325 -1.493 1.644) 2.244 9.232 ( -16.768 -0.991 -1.935) 16.908 9.293 ( 7.532 -3.946 -2.287) 8.805 10.053 ( -3.831 3.420 -0.260) 5.142 10.238 ( -4.466 1.424 3.720) 5.984 10.462 ( 1.485 -2.640 10.700) 11.120 10.790 ( 10.904 0.524 -0.184) 10.918 11.046 ( 6.432 3.771 -3.161) 8.098 11.111 ( 3.248 -2.071 -6.606) 7.647 11.142 ( -3.963 -2.402 -5.295) 7.036 11.601 ( -0.803 0.054 5.916) 5.970 11.994 ( 7.377 0.735 -6.386) 9.785 12.201 ( 5.976 1.578 4.250) 7.501 15.281 ( -0.821 0.272 -0.683) 1.102 15.456 ( 1.394 -0.776 0.784) 1.777 19.667 ( -0.454 3.320 8.862) 9.474 19.752 ( 0.380 -1.712 -7.849) 8.042 20.697 ( 3.266 2.459 -3.295) 5.251 20.793 ( 1.529 -6.635 -2.473) 7.244 21.068 ( 2.041 5.564 11.966) 13.354 21.281 ( 7.499 -8.069 5.576) 12.346 22.479 ( -15.658 7.534 1.045) 17.407 22.695 ( -12.655 -3.271 -15.622) 20.369 24.383 ( 4.504 -1.059 -1.539) 4.877 24.658 ( 1.144 0.707 2.318) 2.680 26.928 ( 2.756 0.090 0.731) 2.852 27.098 ( -0.593 1.658 -1.133) 2.094 ======================= Grid point 12 (8/95) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( 7.185 -4.820 -8.485) 12.118 1.848 ( 8.527 6.892 -1.037) 11.013 1.916 ( 7.848 -9.015 -2.113) 12.137 2.125 ( -7.473 2.348 6.577) 10.228 2.201 ( 5.745 1.391 -0.087) 5.911 2.450 ( 6.004 -10.952 2.897) 12.822 2.626 ( -3.665 5.158 -2.155) 6.684 2.856 ( -3.276 2.384 -3.836) 5.580 2.928 ( -5.268 4.983 4.335) 8.448 2.991 ( -6.878 -5.380 -4.742) 9.937 3.121 ( 6.427 -7.017 0.491) 9.528 3.248 ( 1.030 -1.942 1.595) 2.716 3.274 ( 3.271 -1.085 -3.862) 5.175 3.349 ( 1.273 4.062 2.705) 5.043 3.470 ( 6.137 -0.613 3.825) 7.257 3.662 ( -1.978 -2.952 1.048) 3.705 3.761 ( -7.344 -4.380 -1.670) 8.713 3.862 ( -1.165 -0.040 3.152) 3.360 3.967 ( 5.845 -6.715 -3.890) 9.716 4.186 ( -0.172 2.541 4.070) 4.801 4.230 ( -2.940 9.921 -2.172) 10.573 4.388 ( 3.294 2.175 1.587) 4.254 4.513 ( -2.954 4.053 7.357) 8.904 4.576 ( 3.165 4.726 -4.173) 7.054 4.755 ( -2.800 6.139 -2.765) 7.292 4.901 ( -5.107 1.123 1.757) 5.517 5.106 ( 8.264 0.566 -4.587) 9.469 5.272 ( -1.224 -1.444 -0.500) 1.958 5.425 ( 4.782 -6.640 0.207) 8.186 5.498 ( 0.336 1.240 0.278) 1.315 5.519 ( -2.904 -1.691 -0.408) 3.385 5.729 ( 5.209 2.025 0.886) 5.659 5.973 ( -0.577 -0.901 2.845) 3.040 6.313 ( -2.071 -0.853 -2.473) 3.336 6.336 ( 0.821 -3.435 -2.745) 4.474 6.457 ( -0.106 -3.285 -0.350) 3.305 6.885 ( 7.822 -0.425 1.394) 7.957 7.143 ( 3.291 1.342 -1.824) 3.995 7.506 ( -2.575 3.067 0.309) 4.016 7.645 ( -13.266 -2.726 1.882) 13.673 7.961 ( -1.870 4.554 5.359) 7.277 8.178 ( -3.820 -2.078 -6.156) 7.537 8.257 ( 8.774 4.183 2.222) 9.971 8.438 ( 0.686 -0.214 -5.665) 5.711 8.610 ( 7.193 1.554 0.391) 7.370 8.756 ( -8.804 0.831 1.773) 9.019 8.855 ( -15.116 -3.423 1.824) 15.606 9.521 ( 9.193 -1.385 4.459) 10.310 9.938 ( -3.249 4.716 -1.717) 5.978 10.162 ( -1.053 4.242 -3.524) 5.614 10.551 ( 1.442 -7.535 1.597) 7.836 10.867 ( -3.008 2.871 -0.589) 4.200 11.060 ( -1.382 -4.884 7.589) 9.130 11.126 ( 4.786 2.549 -0.937) 5.503 11.263 ( 6.860 -0.038 -7.498) 10.163 11.567 ( -3.152 -1.477 3.288) 4.789 12.076 ( 2.375 0.736 -1.834) 3.090 12.231 ( -1.300 1.280 -0.591) 1.917 15.274 ( 0.715 0.817 1.164) 1.592 15.478 ( 0.076 -0.855 -0.767) 1.151 19.655 ( 0.540 0.997 8.578) 8.653 19.743 ( -1.426 -0.009 -9.569) 9.675 20.707 ( -0.956 -2.014 1.427) 2.647 20.921 ( 6.342 -2.569 -6.589) 9.499 21.067 ( 2.333 4.751 8.237) 9.791 21.511 ( 8.542 -4.270 4.570) 10.587 22.197 ( -7.318 3.693 0.079) 8.197 22.488 ( -9.575 -0.121 -7.630) 12.244 24.447 ( 1.500 -0.906 -2.049) 2.696 24.652 ( -1.168 0.359 2.363) 2.660 26.961 ( 0.785 0.005 -0.845) 1.153 27.065 ( -1.671 0.822 1.113) 2.170 ======================= Grid point 13 (9/95) ======================= q-point: (-0.56 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( 9.291 3.319 1.195) 9.938 1.877 ( -2.506 5.029 0.481) 5.640 1.964 ( 0.507 -3.691 0.361) 3.743 2.075 ( 8.306 3.545 -4.100) 9.918 2.380 ( 6.137 -5.257 1.454) 8.211 2.503 ( -7.905 8.644 -4.323) 12.486 2.621 ( 2.884 -3.286 2.096) 4.849 2.694 ( -4.129 3.008 -0.690) 5.154 2.916 ( 5.627 -3.225 0.619) 6.515 3.022 ( 2.479 -4.291 -3.282) 5.944 3.142 ( -0.763 0.541 3.002) 3.145 3.317 ( -1.537 -1.655 1.542) 2.735 3.371 ( 2.684 -7.045 0.225) 7.543 3.398 ( 5.870 -2.922 -1.832) 6.808 3.545 ( 0.831 -0.098 -0.157) 0.851 3.591 ( -4.538 5.370 4.699) 8.456 3.758 ( 0.643 -7.759 -3.781) 8.655 3.855 ( 1.565 8.062 -1.449) 8.340 4.047 ( 0.290 8.886 4.513) 9.970 4.146 ( 3.001 -6.086 -4.352) 8.061 4.180 ( -1.801 -0.943 3.714) 4.234 4.316 ( -3.009 8.348 1.029) 8.933 4.533 ( 5.997 -0.979 3.488) 7.006 4.580 ( 0.404 4.949 -2.062) 5.377 4.678 ( -1.805 2.598 -1.827) 3.654 4.796 ( -2.093 2.078 -0.656) 3.021 5.141 ( -5.874 1.239 0.358) 6.014 5.248 ( -0.882 -1.983 1.878) 2.870 5.471 ( -1.652 -0.450 -0.574) 1.806 5.512 ( -0.661 -1.901 0.498) 2.073 5.564 ( 3.159 -3.493 -1.417) 4.918 5.724 ( -3.797 4.386 0.070) 5.801 5.971 ( -0.802 -1.494 1.067) 2.003 6.219 ( -7.279 -4.981 -0.271) 8.824 6.347 ( -3.870 -3.501 0.919) 5.299 6.476 ( -2.247 -4.107 -1.703) 4.981 6.955 ( -2.151 2.207 -3.503) 4.665 7.078 ( -5.241 -1.071 0.722) 5.398 7.488 ( 0.230 2.711 -1.765) 3.244 7.691 ( 16.758 0.045 -1.480) 16.823 7.853 ( -6.713 0.323 3.442) 7.551 8.047 ( -15.030 -4.746 -3.295) 16.102 8.266 ( -0.504 1.623 3.713) 4.083 8.426 ( 0.083 -4.427 -0.506) 4.456 8.524 ( -8.018 1.749 4.957) 9.588 8.749 ( -2.042 -0.486 -0.775) 2.237 8.979 ( 24.961 2.166 -3.565) 25.307 9.610 ( -0.956 2.179 3.766) 4.455 9.872 ( 1.498 3.791 -3.801) 5.573 10.132 ( 3.291 2.944 -2.919) 5.293 10.622 ( -5.222 -10.013 -1.834) 11.441 10.750 ( -4.126 1.573 1.679) 4.724 11.027 ( -6.373 0.856 10.689) 12.474 11.194 ( 1.833 -1.886 1.509) 3.032 11.327 ( 1.276 2.205 -3.070) 3.989 11.561 ( 1.414 -1.248 -4.691) 5.056 12.055 ( -4.429 0.248 2.585) 5.134 12.146 ( -7.271 -2.379 -4.013) 8.639 15.291 ( 2.160 1.812 2.593) 3.830 15.477 ( -0.915 -1.089 -1.914) 2.384 19.661 ( -1.350 0.690 1.138) 1.896 19.703 ( -0.883 -0.945 -1.723) 2.154 20.709 ( -1.341 -2.039 2.960) 3.836 21.020 ( 1.880 -0.125 -0.907) 2.091 21.083 ( 5.548 6.847 0.142) 8.814 21.634 ( 3.863 2.397 -2.408) 5.144 22.148 ( 1.296 0.287 1.007) 1.666 22.396 ( 1.409 -3.407 -0.435) 3.712 24.457 ( -0.832 -0.630 -2.344) 2.566 24.622 ( -2.375 -0.952 2.316) 3.451 26.955 ( -1.410 -0.279 -1.484) 2.066 27.024 ( -2.886 -0.882 1.745) 3.486 ======================= Grid point 14 (10/95) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( 5.657 5.362 1.444) 7.927 1.713 ( -3.620 11.896 -0.030) 12.435 2.089 ( -7.844 7.903 -8.554) 14.042 2.182 ( 3.704 4.428 -2.372) 6.241 2.248 ( 12.468 2.298 1.958) 12.829 2.453 ( -1.986 -4.933 6.552) 8.438 2.667 ( 0.512 2.559 -0.641) 2.688 2.761 ( 4.897 -7.898 4.260) 10.223 2.971 ( -2.729 3.530 -2.911) 5.327 3.127 ( 1.901 -0.633 3.702) 4.210 3.171 ( 3.073 -1.092 -4.075) 5.219 3.287 ( 2.091 0.980 -3.939) 4.565 3.388 ( -2.219 4.594 2.837) 5.838 3.432 ( -1.682 6.170 1.545) 6.579 3.559 ( -3.570 3.607 0.077) 5.076 3.628 ( 6.026 -9.693 0.820) 11.443 3.723 ( -0.312 3.541 -0.831) 3.650 3.842 ( 2.347 -3.698 -2.169) 4.887 4.031 ( 0.296 1.774 1.746) 2.507 4.123 ( -2.791 -0.309 2.926) 4.056 4.202 ( -1.513 -2.107 1.750) 3.129 4.267 ( 3.836 6.806 -5.005) 9.279 4.469 ( -4.085 3.399 0.939) 5.396 4.616 ( 1.493 4.090 -5.832) 7.278 4.691 ( 7.485 -3.069 2.735) 8.539 4.806 ( -4.920 -3.940 2.232) 6.686 5.002 ( -1.453 -0.717 0.663) 1.750 5.220 ( -4.194 -0.972 3.503) 5.550 5.434 ( -3.490 -0.392 0.744) 3.590 5.488 ( -9.354 3.112 -2.576) 10.189 5.534 ( 0.393 -2.317 -1.670) 2.883 5.677 ( 3.660 -0.036 0.563) 3.703 5.972 ( -0.800 -1.849 0.574) 2.094 6.171 ( -5.137 -4.040 1.009) 6.612 6.313 ( -3.123 -4.095 3.999) 6.520 6.450 ( -3.578 -1.601 -2.759) 4.793 6.826 ( -8.578 3.601 -2.852) 9.730 6.957 ( -7.917 -4.842 -0.844) 9.318 7.461 ( -10.397 -2.431 0.699) 10.701 7.674 ( -7.370 -0.844 -4.338) 8.593 7.846 ( -1.862 -6.520 -5.098) 8.483 8.056 ( 5.478 -2.803 2.221) 6.542 8.282 ( 7.683 0.759 1.756) 7.917 8.417 ( -1.166 2.751 6.619) 7.262 8.596 ( 9.157 -1.792 -2.328) 9.617 8.697 ( -1.530 -4.655 3.494) 6.018 9.410 ( 19.985 5.356 -0.735) 20.703 9.485 ( -3.572 4.192 -0.297) 5.516 9.916 ( 6.355 1.537 -6.264) 9.054 10.206 ( 5.092 0.492 -1.026) 5.217 10.556 ( -10.245 -9.508 1.319) 14.039 10.660 ( -6.200 4.179 2.288) 7.819 10.879 ( -8.557 -2.014 5.621) 10.434 11.211 ( -1.788 -0.789 1.526) 2.480 11.296 ( -1.114 1.448 0.560) 1.910 11.595 ( 1.604 1.363 -7.582) 7.869 11.916 ( -10.984 -1.774 4.969) 12.186 12.029 ( -9.551 -6.190 -4.359) 12.188 15.313 ( 1.984 2.172 1.945) 3.527 15.472 ( 0.025 -0.474 -1.115) 1.211 19.595 ( -3.526 0.358 -4.896) 6.044 19.724 ( -0.183 -2.268 4.902) 5.404 20.699 ( -0.966 0.305 2.662) 2.848 21.011 ( -0.905 2.544 1.881) 3.290 21.088 ( 2.364 8.150 -0.950) 8.539 21.622 ( 0.091 6.768 -11.158) 13.051 22.221 ( 8.088 -2.443 4.404) 9.528 22.617 ( 13.562 -7.038 3.205) 15.612 24.426 ( -2.805 -0.008 -2.148) 3.533 24.591 ( -2.790 -2.163 2.133) 4.125 26.916 ( -2.819 -0.438 -1.938) 3.448 26.978 ( -4.383 -2.975 2.293) 5.773 ======================= Grid point 15 (11/95) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( -11.334 9.022 -3.591) 14.925 1.449 ( -11.003 19.523 -14.477) 26.680 1.892 ( 8.636 15.540 12.660) 21.825 2.185 ( -6.848 3.926 -3.438) 8.610 2.390 ( 0.057 -2.995 3.864) 4.889 2.547 ( 7.520 3.025 9.626) 12.584 2.632 ( 1.751 9.956 -3.326) 10.642 2.833 ( -8.105 13.191 -0.271) 15.484 2.870 ( -4.284 -2.490 -6.052) 7.822 2.990 ( -5.895 5.803 3.704) 9.063 3.145 ( 2.869 -2.035 5.317) 6.375 3.229 ( -3.944 4.649 1.219) 6.217 3.274 ( -3.484 4.584 -1.434) 5.934 3.355 ( 0.112 -0.277 -3.954) 3.965 3.670 ( 12.425 -5.323 -1.626) 13.614 3.740 ( 1.340 -0.084 -0.721) 1.524 3.834 ( 4.515 -6.527 0.111) 7.938 3.921 ( 3.966 -0.603 -1.098) 4.159 4.010 ( -0.918 -3.901 -1.500) 4.279 4.136 ( -2.296 -3.816 4.438) 6.287 4.214 ( 3.091 4.881 0.711) 5.821 4.259 ( 4.075 -1.659 -3.292) 5.495 4.393 ( -0.073 4.412 -1.539) 4.673 4.612 ( -3.913 0.561 1.573) 4.254 4.750 ( 1.324 -7.638 -0.442) 7.764 4.874 ( 6.158 -4.373 1.369) 7.676 5.113 ( 0.666 0.575 3.415) 3.526 5.168 ( 5.238 -2.745 -6.357) 8.682 5.298 ( -7.153 -0.965 1.610) 7.395 5.372 ( -4.004 -0.187 0.237) 4.016 5.585 ( 2.402 -1.873 -3.177) 4.402 5.748 ( 2.831 0.013 2.187) 3.578 5.963 ( -2.316 -0.775 0.121) 2.446 6.104 ( -3.599 -0.049 3.648) 5.125 6.267 ( -4.003 -0.267 2.077) 4.517 6.389 ( -6.747 -2.306 5.592) 9.061 6.581 ( -12.415 0.567 -3.098) 12.809 6.926 ( -3.363 -5.922 -7.135) 9.864 7.238 ( -14.004 -7.887 -0.063) 16.072 7.619 ( 2.159 -0.345 -11.985) 12.183 7.852 ( -4.156 -1.542 -0.221) 4.438 8.044 ( -9.674 -5.541 11.697) 16.159 8.474 ( 2.655 -4.358 5.789) 7.718 8.500 ( 9.653 -2.626 -3.405) 10.568 8.547 ( 0.399 3.231 -6.581) 7.342 8.971 ( 11.782 -4.287 8.388) 15.085 9.339 ( 5.061 7.739 1.799) 9.420 9.703 ( 10.698 6.539 -1.162) 12.592 10.038 ( 6.339 -0.708 -6.508) 9.113 10.255 ( -5.934 -3.741 5.146) 8.700 10.391 ( -8.598 0.059 -2.426) 8.934 10.514 ( -7.015 -1.561 -4.676) 8.574 10.823 ( 1.442 -2.675 2.307) 3.815 11.132 ( -5.983 3.823 0.708) 7.135 11.292 ( 0.227 -2.053 3.611) 4.160 11.561 ( -2.964 1.141 -5.345) 6.217 11.731 ( -12.108 -5.373 7.148) 15.052 11.906 ( -9.926 -5.929 -6.064) 13.056 15.321 ( 0.339 0.612 0.070) 0.703 15.495 ( 3.460 2.132 0.968) 4.177 19.533 ( -3.330 -1.545 -3.817) 5.296 19.732 ( -2.038 -2.253 2.740) 4.091 20.674 ( 0.018 3.188 1.210) 3.410 20.938 ( -3.574 4.166 -0.200) 5.492 21.017 ( -1.608 6.713 1.572) 7.080 21.513 ( -1.207 8.423 -8.515) 12.037 22.511 ( 16.859 -6.245 0.024) 17.979 22.976 ( 16.617 -6.504 6.670) 19.050 24.344 ( -5.220 1.276 -1.106) 5.487 24.565 ( -2.551 -1.917 1.658) 3.595 26.863 ( -2.900 -0.298 -2.605) 3.910 26.920 ( -6.851 -5.116 3.885) 9.391 ======================= Grid point 16 (12/95) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( -16.049 20.488 -12.258) 28.767 0.995 ( -14.898 21.457 -2.017) 26.200 1.726 ( -8.399 32.353 1.211) 33.448 1.904 ( -20.076 8.956 5.691) 22.708 2.260 ( -3.547 11.402 0.683) 11.960 2.411 ( 4.204 6.015 -1.037) 7.412 2.581 ( 1.511 14.508 10.841) 18.174 2.703 ( 2.966 6.083 -6.176) 9.162 2.841 ( -1.289 -4.216 -3.074) 5.374 3.023 ( 1.693 3.259 3.187) 4.863 3.094 ( 0.337 -0.108 2.558) 2.583 3.211 ( -0.517 0.467 -2.594) 2.686 3.286 ( 1.310 -5.297 1.116) 5.569 3.420 ( 3.657 -2.828 -0.399) 4.640 3.741 ( 1.495 4.269 -0.610) 4.564 3.894 ( 5.749 -3.270 -1.944) 6.893 3.917 ( 2.447 -1.363 1.182) 3.040 4.001 ( 0.939 -1.525 -4.676) 5.008 4.060 ( 1.880 -4.884 1.574) 5.465 4.173 ( -1.797 -12.030 3.277) 12.597 4.229 ( 3.697 5.160 -0.079) 6.348 4.337 ( 3.035 -2.930 -1.123) 4.366 4.460 ( 4.486 -3.945 -1.889) 6.266 4.555 ( -1.322 -0.027 2.060) 2.447 4.816 ( -1.998 -2.713 -2.848) 4.412 4.943 ( -2.540 -4.396 1.992) 5.454 5.183 ( 10.053 -1.764 -1.208) 10.278 5.218 ( -4.733 -3.044 3.974) 6.889 5.237 ( -3.523 -0.951 -2.006) 4.164 5.462 ( 12.532 -1.422 1.640) 12.718 5.632 ( 0.749 -1.281 -1.510) 2.117 5.783 ( 1.699 -1.954 -7.771) 8.191 5.889 ( -5.426 0.780 3.704) 6.616 6.086 ( -2.519 4.315 5.264) 7.258 6.168 ( -1.030 0.129 4.011) 4.143 6.256 ( -9.476 -2.545 7.376) 12.275 6.428 ( -5.781 -2.754 -2.378) 6.831 6.817 ( -8.977 -2.620 -21.174) 23.147 7.267 ( 5.220 -9.845 5.752) 12.540 7.692 ( 6.368 1.852 -13.315) 14.875 7.776 ( -6.059 -4.601 5.253) 9.245 7.875 ( -12.048 -1.952 14.302) 18.802 8.423 ( -2.025 -0.704 2.662) 3.418 8.532 ( -3.079 2.724 -0.989) 4.228 8.795 ( 10.612 -10.826 -12.699) 19.776 9.141 ( 8.583 0.968 14.733) 17.078 9.561 ( 18.086 5.316 -1.616) 18.920 9.694 ( -1.616 7.356 -4.093) 8.572 9.951 ( -24.380 -7.034 5.850) 26.040 10.101 ( -3.801 -1.068 -0.643) 4.000 10.374 ( -2.781 -2.375 -6.182) 7.183 10.430 ( 3.558 4.603 -5.649) 8.109 10.885 ( -11.389 3.794 5.564) 13.231 11.005 ( 9.682 -1.023 -1.959) 9.931 11.329 ( -0.278 -3.656 3.266) 4.910 11.488 ( -2.440 0.029 -2.080) 3.206 11.646 ( -3.989 -7.334 4.054) 9.281 11.758 ( -10.631 -3.683 -5.634) 12.582 15.323 ( 0.040 -0.768 -0.067) 0.772 15.561 ( 7.204 4.171 1.295) 8.425 19.493 ( -3.620 -3.304 -4.650) 6.756 19.695 ( -4.122 -1.834 0.020) 4.512 20.637 ( 0.689 6.170 0.310) 6.216 20.809 ( -5.742 2.650 -1.187) 6.435 20.908 ( -3.520 5.425 1.550) 6.650 21.430 ( 0.909 5.999 -5.652) 8.293 22.919 ( 18.774 -7.204 -3.552) 20.420 23.346 ( 15.509 -5.480 11.545) 20.096 24.214 ( -6.044 2.610 0.391) 6.595 24.537 ( -1.328 0.192 1.303) 1.871 26.811 ( -7.799 -4.074 2.157) 9.060 26.824 ( -5.520 -2.415 1.727) 6.268 ======================= Grid point 17 (13/95) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.505 ( -0.000 24.909 -0.000) 24.909 0.570 ( -0.000 28.432 -0.000) 28.432 1.131 ( -0.000 55.088 -0.000) 55.088 1.582 ( -0.000 4.529 -0.000) 4.529 2.230 ( -0.000 0.462 -0.000) 0.462 2.390 ( -0.000 17.691 -0.000) 17.691 2.410 ( -0.000 7.112 -0.000) 7.112 2.704 ( -0.000 3.667 -0.000) 3.667 2.885 ( 0.000 -6.607 0.000) 6.607 3.034 ( -0.000 3.290 -0.000) 3.290 3.096 ( -0.000 2.263 -0.000) 2.263 3.181 ( 0.000 -2.864 0.000) 2.864 3.323 ( 0.000 -0.936 0.000) 0.936 3.460 ( -0.000 2.954 -0.000) 2.954 3.746 ( 0.000 -2.494 0.000) 2.494 3.940 ( 0.000 -2.535 0.000) 2.535 3.994 ( 0.000 -0.616 0.000) 0.616 4.011 ( 0.000 -1.484 0.000) 1.484 4.142 ( 0.000 -4.780 0.000) 4.780 4.219 ( -0.000 4.082 -0.000) 4.082 4.279 ( 0.000 -9.919 0.000) 9.919 4.419 ( 0.000 -4.635 0.000) 4.635 4.517 ( -0.000 0.334 -0.000) 0.334 4.556 ( 0.000 -2.977 0.000) 2.977 4.792 ( 0.000 -0.384 0.000) 0.384 4.958 ( 0.000 -4.178 0.000) 4.178 5.194 ( 0.000 -1.672 0.000) 1.672 5.212 ( 0.000 -2.693 0.000) 2.693 5.322 ( 0.000 -0.841 0.000) 0.841 5.676 ( 0.000 -2.697 0.000) 2.697 5.710 ( -0.000 2.649 -0.000) 2.649 5.741 ( -0.000 1.259 -0.000) 1.259 5.794 ( 0.000 -4.019 0.000) 4.019 5.959 ( -0.000 6.763 -0.000) 6.763 6.179 ( 0.000 -5.130 0.000) 5.130 6.225 ( 0.000 -0.251 0.000) 0.251 6.398 ( 0.000 -1.140 0.000) 1.140 6.718 ( 0.000 -0.572 0.000) 0.572 7.482 ( 0.000 -11.373 0.000) 11.373 7.743 ( 0.000 -2.314 0.000) 2.314 7.773 ( 0.000 -7.587 0.000) 7.587 7.773 ( -0.000 3.351 -0.000) 3.351 8.430 ( -0.000 2.118 -0.000) 2.118 8.534 ( 0.000 -2.753 0.000) 2.753 8.940 ( 0.000 -10.523 0.000) 10.523 9.347 ( -0.000 5.077 -0.000) 5.077 9.388 ( -0.000 5.448 -0.000) 5.448 9.654 ( -0.000 1.650 -0.000) 1.650 9.771 ( -0.000 3.042 -0.000) 3.042 10.039 ( 0.000 -0.651 0.000) 0.651 10.340 ( -0.000 13.250 -0.000) 13.250 10.388 ( 0.000 -0.780 0.000) 0.780 10.738 ( 0.000 -2.476 0.000) 2.476 11.152 ( 0.000 -2.040 0.000) 2.040 11.356 ( 0.000 -2.817 0.000) 2.817 11.503 ( -0.000 3.055 -0.000) 3.055 11.605 ( 0.000 -4.223 0.000) 4.223 11.723 ( 0.000 -7.165 0.000) 7.165 15.334 ( 0.000 -0.795 0.000) 0.795 15.655 ( -0.000 0.237 -0.000) 0.237 19.441 ( 0.000 -0.232 0.000) 0.232 19.653 ( 0.000 -0.732 0.000) 0.732 20.574 ( -0.000 6.429 -0.000) 6.429 20.715 ( -0.000 1.397 -0.000) 1.397 20.813 ( -0.000 5.052 -0.000) 5.052 21.405 ( -0.000 2.474 -0.000) 2.474 23.219 ( 0.000 -7.458 0.000) 7.458 23.639 ( 0.000 -9.687 0.000) 9.687 24.118 ( -0.000 2.724 -0.000) 2.724 24.525 ( -0.000 1.211 -0.000) 1.211 26.660 ( 0.000 -0.033 0.000) 0.033 26.801 ( -0.000 0.183 -0.000) 0.183 ======================= Grid point 20 (14/95) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( 10.751 0.000 -13.065) 16.920 1.808 ( 12.463 0.000 -0.488) 12.472 2.031 ( -0.335 -0.000 0.834) 0.899 2.039 ( 3.260 0.000 0.822) 3.362 2.256 ( 9.248 0.000 2.177) 9.501 2.321 ( 4.068 0.000 2.363) 4.704 2.680 ( -8.233 -0.000 -2.830) 8.705 2.886 ( -1.662 -0.000 -3.631) 3.993 2.910 ( -9.635 -0.000 -5.828) 11.261 2.971 ( -2.090 -0.000 7.806) 8.081 3.061 ( 4.806 0.000 1.303) 4.979 3.229 ( 0.992 0.000 2.274) 2.481 3.302 ( -0.991 -0.000 4.093) 4.211 3.366 ( 12.247 0.000 -5.774) 13.540 3.490 ( 5.101 0.000 4.006) 6.486 3.628 ( -4.992 -0.000 3.491) 6.092 3.684 ( -10.752 -0.000 -3.879) 11.430 3.856 ( -0.240 -0.000 5.930) 5.935 3.887 ( 7.366 0.000 -7.464) 10.487 4.212 ( -1.966 -0.000 3.240) 3.790 4.342 ( 0.625 0.000 0.098) 0.633 4.403 ( 1.086 0.000 4.048) 4.191 4.562 ( -4.199 -0.000 6.251) 7.531 4.664 ( 5.404 0.000 -8.021) 9.671 4.855 ( -1.651 -0.000 -2.740) 3.199 4.878 ( -7.100 -0.000 3.635) 7.976 5.107 ( 6.857 0.000 -4.571) 8.241 5.261 ( -5.155 -0.000 1.246) 5.303 5.333 ( 9.847 0.000 -2.853) 10.252 5.498 ( -2.411 -0.000 -0.243) 2.423 5.522 ( -1.138 -0.000 1.344) 1.761 5.750 ( 6.501 0.000 -0.315) 6.509 5.962 ( -0.594 -0.000 4.651) 4.689 6.281 ( -1.135 -0.000 -3.259) 3.451 6.310 ( -1.922 -0.000 -3.920) 4.366 6.415 ( -1.641 -0.000 0.262) 1.662 6.883 ( 7.876 0.000 1.574) 8.032 7.156 ( 5.856 0.000 -2.957) 6.561 7.563 ( -5.866 -0.000 1.634) 6.090 7.592 ( -10.456 -0.000 1.193) 10.524 8.015 ( -3.071 -0.000 6.790) 7.452 8.154 ( -3.901 -0.000 -6.743) 7.790 8.303 ( 5.854 0.000 3.760) 6.957 8.440 ( -0.511 -0.000 -8.485) 8.501 8.616 ( 5.761 0.000 1.816) 6.041 8.788 ( -1.802 -0.000 2.887) 3.403 8.800 ( -19.871 -0.000 -0.295) 19.873 9.506 ( 10.937 0.000 5.884) 12.420 9.996 ( -3.686 -0.000 -2.778) 4.615 10.229 ( 1.976 0.000 -11.338) 11.509 10.449 ( -2.145 -0.000 10.289) 10.510 10.941 ( -8.856 -0.000 -3.590) 9.556 10.950 ( 4.988 0.000 5.275) 7.260 11.156 ( 2.633 0.000 12.354) 12.632 11.270 ( 9.176 0.000 -16.263) 18.673 11.548 ( -4.114 -0.000 3.405) 5.341 12.084 ( 2.125 0.000 -1.676) 2.707 12.244 ( -2.593 -0.000 -1.178) 2.848 15.286 ( 1.243 0.000 2.026) 2.377 15.466 ( -0.069 -0.000 -1.406) 1.408 19.672 ( -0.947 -0.000 10.353) 10.396 19.736 ( -0.697 -0.000 -11.553) 11.574 20.686 ( -1.832 -0.000 3.640) 4.075 20.890 ( 8.563 0.000 -7.228) 11.206 21.133 ( 1.927 0.000 11.036) 11.203 21.452 ( 13.106 0.000 -0.240) 13.108 22.250 ( -11.282 -0.000 6.154) 12.852 22.477 ( -8.715 -0.000 -13.348) 15.941 24.436 ( 1.801 0.000 -2.798) 3.328 24.655 ( -1.879 -0.000 3.247) 3.751 26.961 ( 0.655 0.000 -1.269) 1.428 27.073 ( -2.662 -0.000 1.625) 3.118 ======================= Grid point 21 (15/95) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( 14.629 -0.696 -2.376) 14.837 1.911 ( 0.402 -1.050 4.369) 4.511 1.966 ( -2.780 3.028 1.562) 4.397 2.109 ( 8.093 -1.147 -8.302) 11.650 2.387 ( 7.558 5.734 2.075) 9.711 2.528 ( 7.654 -1.638 -1.436) 7.958 2.624 ( 3.362 -0.300 -1.333) 3.629 2.775 ( -9.207 3.473 -3.404) 10.412 2.835 ( -1.857 -4.613 -0.351) 4.985 2.935 ( 2.149 -2.458 0.454) 3.296 3.101 ( -3.112 -1.976 -0.514) 3.722 3.295 ( 1.069 0.387 4.509) 4.651 3.319 ( 7.242 -2.651 3.380) 8.420 3.386 ( -2.284 3.836 -3.916) 5.938 3.566 ( -1.491 0.931 -0.498) 1.827 3.587 ( 0.435 -5.660 1.102) 5.783 3.656 ( 2.967 -0.861 1.115) 3.285 3.923 ( 7.291 1.554 3.855) 8.392 4.019 ( 4.806 -4.009 -8.323) 10.414 4.168 ( -2.361 -0.150 6.325) 6.753 4.296 ( -1.074 9.938 1.126) 10.059 4.426 ( -1.163 0.312 2.052) 2.379 4.494 ( -0.532 -1.115 5.290) 5.432 4.694 ( 1.106 6.314 -3.328) 7.222 4.756 ( -1.597 2.774 -2.573) 4.107 4.845 ( -1.305 1.158 -1.425) 2.252 5.120 ( -10.529 -2.293 2.864) 11.150 5.214 ( 3.202 -1.506 -1.323) 3.778 5.459 ( -1.053 0.157 2.030) 2.292 5.490 ( -0.483 0.479 -0.604) 0.910 5.523 ( 6.028 -2.012 -1.707) 6.580 5.781 ( -4.125 1.309 0.202) 4.333 5.938 ( -1.907 -1.167 2.021) 3.013 6.148 ( -11.568 -1.470 -0.908) 11.697 6.289 ( -1.472 -1.171 -3.232) 3.739 6.364 ( -4.430 -5.530 -0.852) 7.136 6.987 ( 1.032 0.769 -2.437) 2.756 7.070 ( -10.551 0.083 0.165) 10.553 7.536 ( 4.732 1.267 -2.231) 5.383 7.703 ( 14.033 1.194 -0.325) 14.088 7.872 ( -9.045 0.948 6.759) 11.331 7.969 ( -17.695 -2.705 -6.684) 19.107 8.279 ( 0.279 -0.202 8.791) 8.797 8.369 ( -4.598 -0.990 -4.952) 6.829 8.543 ( -6.107 0.259 3.723) 7.157 8.741 ( -3.604 -0.209 -1.494) 3.907 9.011 ( 27.070 0.912 -3.259) 27.280 9.637 ( 1.013 0.626 9.881) 9.952 9.966 ( 3.678 3.697 -9.778) 11.082 10.219 ( 1.529 5.321 -8.083) 9.797 10.427 ( -5.955 -8.369 4.089) 11.055 10.785 ( -5.514 2.119 0.620) 5.940 10.993 ( -4.334 -4.021 7.196) 9.313 11.191 ( 0.636 2.519 10.939) 11.243 11.314 ( -4.654 -2.856 0.614) 5.495 11.562 ( 6.904 0.773 -11.800) 13.694 12.064 ( -4.345 0.409 3.512) 5.602 12.110 ( -11.170 -0.999 -6.303) 12.864 15.328 ( 3.582 1.500 4.492) 5.938 15.451 ( -1.640 -1.130 -3.497) 4.024 19.670 ( -0.177 0.226 8.145) 8.150 19.693 ( -2.921 -0.228 -9.302) 9.753 20.682 ( 0.422 -0.627 3.719) 3.795 21.012 ( 3.967 -0.376 -0.813) 4.067 21.197 ( 6.584 3.576 0.035) 7.493 21.668 ( 8.053 0.790 -0.238) 8.095 22.156 ( 2.282 0.469 3.038) 3.829 22.341 ( -4.962 -1.812 -5.114) 7.353 24.444 ( -0.664 -0.451 -3.774) 3.858 24.607 ( -3.566 -0.463 3.756) 5.200 26.950 ( -1.573 -0.142 -2.227) 2.730 27.011 ( -4.278 -0.334 2.688) 5.063 ======================= Grid point 22 (16/95) ======================= q-point: (-0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( 4.332 3.566 2.914) 6.322 1.906 ( 4.129 5.963 1.963) 7.514 2.082 ( 11.581 -0.989 -2.237) 11.836 2.260 ( 5.086 -3.799 -4.852) 7.990 2.417 ( -8.036 9.816 -0.534) 12.697 2.456 ( 4.320 8.482 0.354) 9.525 2.634 ( 2.492 -1.968 1.609) 3.560 2.711 ( 2.120 1.528 0.470) 2.655 2.940 ( 1.997 -4.240 -1.569) 4.942 3.053 ( 3.760 -9.188 -0.076) 9.928 3.139 ( 2.945 -2.784 -0.485) 4.082 3.277 ( -1.676 0.707 0.397) 1.862 3.357 ( 2.190 -4.657 -0.977) 5.238 3.484 ( 2.392 0.832 -3.233) 4.106 3.532 ( 0.107 0.226 -0.761) 0.801 3.575 ( -1.138 0.775 4.433) 4.642 3.756 ( 5.564 -2.839 -0.671) 6.283 3.970 ( 0.324 8.174 -5.892) 10.081 4.093 ( -2.537 -1.944 3.816) 4.978 4.147 ( -1.582 -0.712 2.552) 3.086 4.175 ( 1.515 11.321 6.003) 12.903 4.366 ( 1.406 2.578 -1.023) 3.109 4.550 ( -4.604 0.748 0.518) 4.693 4.610 ( 2.601 -0.236 1.253) 2.897 4.754 ( 3.361 5.445 -3.220) 7.163 4.783 ( -1.431 2.168 -1.267) 2.890 4.961 ( -8.502 -3.868 3.029) 9.819 5.231 ( -1.804 2.146 2.668) 3.870 5.424 ( -3.363 -0.324 2.071) 3.963 5.492 ( 1.336 -1.318 -1.641) 2.493 5.536 ( -8.641 1.972 -0.430) 8.874 5.673 ( 1.234 -0.913 -3.377) 3.710 5.922 ( -2.493 -2.700 1.346) 3.914 6.068 ( -1.883 -5.594 -0.017) 5.903 6.211 ( -5.997 -4.130 3.252) 7.975 6.391 ( -1.378 -4.690 -6.729) 8.317 6.864 ( -10.101 -1.462 -3.077) 10.660 6.893 ( -11.335 0.563 0.961) 11.390 7.454 ( -18.457 1.323 8.042) 20.176 7.645 ( -11.216 -2.229 -10.282) 15.378 7.747 ( 8.505 -2.617 -4.605) 10.019 8.014 ( -1.437 -1.550 4.261) 4.756 8.310 ( 8.654 2.225 0.498) 8.949 8.462 ( -0.967 0.284 1.846) 2.103 8.513 ( 13.265 -4.385 6.761) 15.521 8.653 ( -5.029 -0.454 -1.946) 5.412 9.498 ( 25.974 3.220 -2.910) 26.334 9.554 ( -6.258 2.799 2.663) 7.355 10.008 ( 7.315 6.445 -11.507) 15.082 10.217 ( -0.718 0.378 5.968) 6.023 10.382 ( -5.462 -6.851 -3.315) 9.368 10.705 ( -2.685 0.891 3.374) 4.404 10.859 ( -12.522 -1.486 5.992) 13.961 11.157 ( -4.250 -3.207 4.622) 7.050 11.269 ( -3.523 -2.605 5.657) 7.155 11.652 ( 3.593 3.367 -12.928) 13.834 11.878 ( -12.976 -3.537 -6.528) 14.950 11.936 ( -10.518 -1.292 5.574) 11.974 15.361 ( 0.562 2.350 -0.469) 2.462 15.456 ( 2.326 -1.063 1.453) 2.942 19.608 ( -4.325 0.499 -5.279) 6.842 19.686 ( -0.245 -1.232 5.081) 5.234 20.707 ( 1.691 0.531 2.451) 3.025 21.049 ( 0.825 1.263 3.112) 3.458 21.255 ( 4.178 7.466 -3.877) 9.394 21.724 ( 1.781 3.485 -4.800) 6.193 22.213 ( 4.262 1.424 1.832) 4.853 22.458 ( 11.904 -8.203 1.238) 14.510 24.419 ( -2.178 -0.442 -4.018) 4.592 24.551 ( -3.666 -1.690 3.851) 5.579 26.908 ( -2.800 -0.312 -2.492) 3.761 26.931 ( -5.630 -1.665 2.998) 6.593 ======================= Grid point 23 (17/95) ======================= q-point: (-0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( -1.753 9.259 -3.369) 10.008 1.834 ( -6.186 16.541 -8.779) 19.722 2.122 ( 4.576 8.400 7.902) 12.407 2.301 ( 0.916 -2.385 5.492) 6.057 2.421 ( 2.281 11.573 0.948) 11.834 2.523 ( 10.006 -0.152 0.210) 10.010 2.671 ( 0.544 -8.212 -1.042) 8.296 2.734 ( -0.020 -0.499 0.398) 0.639 2.956 ( 1.544 -1.320 -0.753) 2.167 3.130 ( -2.244 3.484 7.442) 8.518 3.199 ( 3.639 -3.196 -5.887) 7.623 3.312 ( -5.374 5.113 -6.719) 10.008 3.372 ( -1.206 3.902 3.984) 5.705 3.448 ( -1.564 -6.846 -0.884) 7.078 3.530 ( 3.385 4.585 -0.589) 5.730 3.653 ( 2.506 -2.101 0.438) 3.300 3.773 ( -1.278 6.007 -2.502) 6.632 3.899 ( 5.347 -1.065 1.933) 5.785 4.028 ( -0.796 1.993 -0.778) 2.283 4.119 ( -2.102 1.670 2.945) 3.985 4.178 ( 4.312 -1.791 -0.141) 4.672 4.436 ( 3.920 8.683 -3.002) 9.988 4.471 ( 2.796 -0.328 2.128) 3.529 4.631 ( -4.046 -1.116 4.150) 5.902 4.660 ( -3.030 5.611 -3.903) 7.477 4.803 ( 2.660 -1.870 0.835) 3.357 5.013 ( 6.102 -9.293 -1.254) 11.188 5.157 ( -2.758 1.018 4.174) 5.105 5.317 ( -6.410 2.532 -0.857) 6.945 5.382 ( -6.087 1.212 -0.245) 6.211 5.552 ( 3.234 -1.295 -3.450) 4.903 5.741 ( 3.999 -0.895 -0.431) 4.121 5.908 ( -3.085 -4.207 1.736) 5.498 6.075 ( -1.763 -2.465 0.836) 3.144 6.212 ( -2.430 -6.560 4.492) 8.314 6.321 ( -8.356 -2.109 -4.363) 9.659 6.611 ( -15.423 1.497 1.441) 15.562 6.781 ( -3.233 -7.819 -4.955) 9.805 7.102 ( -19.194 -4.875 4.046) 20.213 7.597 ( 3.533 -1.613 -14.760) 15.262 7.814 ( -9.219 -2.035 5.295) 10.825 7.952 ( -1.580 -3.616 2.150) 4.494 8.400 ( -3.174 -2.618 0.737) 4.179 8.483 ( 5.747 0.099 2.639) 6.325 8.622 ( 3.652 4.017 -4.006) 6.747 8.858 ( 12.943 -5.974 8.302) 16.497 9.470 ( 5.851 4.933 1.417) 7.783 9.842 ( 14.190 7.322 -2.579) 16.174 10.072 ( -0.160 2.501 -3.956) 4.683 10.151 ( -4.104 -4.815 8.420) 10.532 10.376 ( -0.102 -0.284 -9.844) 9.849 10.546 ( -12.179 2.476 -0.451) 12.437 10.769 ( 2.765 -2.576 2.481) 4.521 11.115 ( -5.892 -6.375 1.049) 8.744 11.240 ( -2.172 -1.736 4.435) 5.235 11.552 ( -10.394 -3.652 -6.699) 12.894 11.672 ( -14.010 0.318 11.154) 17.911 11.813 ( -3.647 -2.180 -9.638) 10.533 15.326 ( -1.900 0.007 -3.564) 4.039 15.538 ( 6.055 2.137 4.427) 7.799 19.522 ( -4.025 -0.076 -2.854) 4.935 19.688 ( -1.764 -1.687 2.834) 3.741 20.731 ( 2.253 2.428 0.592) 3.365 21.027 ( -0.948 3.984 2.876) 5.004 21.186 ( -1.514 9.667 -1.153) 9.852 21.661 ( -2.073 6.516 -4.957) 8.446 22.396 ( 12.888 -5.582 -0.393) 14.050 22.811 ( 15.256 -8.989 2.527) 17.886 24.359 ( -3.990 0.594 -2.758) 4.887 24.521 ( -2.096 -2.463 2.991) 4.405 26.838 ( -6.711 -2.691 2.398) 7.618 26.860 ( -2.846 -0.443 -1.630) 3.309 ======================= Grid point 24 (18/95) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( -10.307 17.184 -4.983) 20.649 1.472 ( -7.925 23.581 -5.178) 25.410 2.022 ( -13.226 9.707 2.820) 16.646 2.157 ( -0.854 6.983 2.122) 7.348 2.455 ( 8.968 7.539 7.909) 14.135 2.699 ( -1.069 0.554 -0.666) 1.375 2.742 ( 4.947 5.388 2.547) 7.746 2.813 ( 4.992 -4.434 -5.565) 8.692 2.917 ( -4.398 24.430 1.689) 24.880 3.014 ( 3.984 2.806 1.228) 5.025 3.153 ( -2.491 0.618 -2.064) 3.293 3.218 ( -0.597 4.570 1.830) 4.958 3.282 ( 0.077 3.758 -4.800) 6.097 3.366 ( -0.437 0.632 3.546) 3.628 3.674 ( 2.383 -16.905 -0.397) 17.076 3.798 ( 3.473 -3.011 -2.757) 5.360 3.833 ( 3.549 -6.250 1.440) 7.330 3.930 ( -1.929 0.267 2.259) 2.982 4.018 ( 0.988 1.943 -1.504) 2.649 4.099 ( 0.645 1.155 -0.096) 1.327 4.294 ( 3.821 -1.754 0.253) 4.212 4.402 ( 3.611 11.377 -0.533) 11.948 4.463 ( 2.225 4.208 -0.575) 4.795 4.557 ( -0.790 -0.301 2.519) 2.657 4.716 ( 1.818 -6.586 -3.674) 7.757 4.839 ( -3.568 -5.650 2.077) 6.998 5.137 ( -2.432 -3.837 3.409) 5.679 5.193 ( -3.291 -2.584 -2.803) 5.037 5.217 ( 3.447 3.425 0.039) 4.860 5.349 ( 7.076 -8.411 -1.147) 11.051 5.609 ( 1.911 -0.571 -3.926) 4.403 5.795 ( 1.741 2.303 -1.442) 3.227 5.873 ( -5.295 -3.107 3.394) 7.015 6.083 ( -0.443 -3.060 -1.408) 3.397 6.160 ( -5.252 -1.223 1.653) 5.640 6.220 ( -7.104 -2.477 10.103) 12.596 6.385 ( -6.637 -0.960 -0.978) 6.777 6.755 ( -5.920 -3.302 -18.081) 19.310 7.010 ( -0.567 -14.507 5.250) 15.438 7.623 ( -14.515 -7.747 14.366) 21.842 7.694 ( 4.928 -0.621 -11.720) 12.730 7.916 ( -2.690 3.028 1.477) 4.311 8.382 ( -0.907 -3.670 4.870) 6.165 8.577 ( -3.644 1.701 -6.930) 8.012 8.622 ( 5.122 -5.088 -7.247) 10.230 9.141 ( 14.109 -0.983 17.284) 22.333 9.664 ( 14.272 4.175 -0.891) 14.897 9.854 ( -8.734 5.122 -9.952) 14.198 9.889 ( -7.535 2.464 13.932) 16.030 10.128 ( -3.739 3.050 -1.032) 4.934 10.319 ( -6.308 -2.490 -8.519) 10.888 10.478 ( 9.391 1.148 -7.423) 12.025 10.926 ( 7.259 -2.113 -1.174) 7.651 11.015 ( -9.036 1.737 2.906) 9.650 11.237 ( -1.682 -4.580 1.947) 5.253 11.433 ( -5.682 -6.334 1.500) 8.640 11.474 ( -8.804 -7.925 8.255) 14.438 11.731 ( -5.483 1.513 -8.575) 10.290 15.301 ( -1.118 -1.329 -2.037) 2.677 15.630 ( 5.999 3.110 2.826) 7.324 19.463 ( -2.519 -0.626 -1.317) 2.911 19.658 ( -3.184 -1.541 0.520) 3.576 20.746 ( 3.031 4.145 -0.444) 5.155 20.924 ( -3.999 7.897 0.264) 8.855 21.044 ( -2.979 8.372 1.812) 9.069 21.553 ( -1.408 6.698 -2.130) 7.168 22.739 ( 13.556 -10.818 -3.408) 17.675 23.170 ( 11.823 -10.518 3.566) 16.221 24.259 ( -4.669 2.229 -1.001) 5.270 24.523 ( -0.361 -1.714 1.888) 2.576 26.734 ( -7.321 -2.441 2.982) 8.273 26.820 ( -1.487 -0.036 -1.738) 2.288 ======================= Grid point 25 (19/95) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( -0.000 22.788 -0.000) 22.788 1.125 ( -0.000 27.059 -0.000) 27.059 1.742 ( -0.000 11.345 -0.000) 11.345 2.069 ( -0.000 24.857 -0.000) 24.857 2.309 ( -0.000 17.951 -0.000) 17.951 2.592 ( -0.000 13.175 -0.000) 13.175 2.723 ( -0.000 3.342 -0.000) 3.342 2.807 ( -0.000 6.847 -0.000) 6.847 2.822 ( -0.000 8.047 -0.000) 8.047 3.070 ( 0.000 -5.607 0.000) 5.607 3.105 ( -0.000 1.868 -0.000) 1.868 3.193 ( -0.000 8.192 -0.000) 8.192 3.262 ( 0.000 -5.026 0.000) 5.026 3.422 ( 0.000 -5.282 0.000) 5.282 3.818 ( -0.000 6.346 -0.000) 6.346 3.883 ( 0.000 -16.448 0.000) 16.448 3.888 ( 0.000 -3.469 0.000) 3.469 3.933 ( 0.000 -6.102 0.000) 6.102 4.043 ( 0.000 -2.255 0.000) 2.255 4.083 ( 0.000 -0.958 0.000) 0.958 4.332 ( -0.000 4.581 -0.000) 4.581 4.351 ( -0.000 0.985 -0.000) 0.985 4.495 ( 0.000 -0.374 0.000) 0.374 4.564 ( -0.000 1.291 -0.000) 1.291 4.767 ( 0.000 -2.856 0.000) 2.856 4.846 ( 0.000 -6.450 0.000) 6.450 5.135 ( 0.000 -3.983 0.000) 3.983 5.162 ( 0.000 -2.098 0.000) 2.098 5.289 ( 0.000 -1.744 0.000) 1.744 5.592 ( 0.000 -12.066 0.000) 12.066 5.630 ( 0.000 -0.979 0.000) 0.979 5.779 ( -0.000 3.788 -0.000) 3.788 5.807 ( -0.000 0.063 -0.000) 0.063 6.067 ( 0.000 -5.194 0.000) 5.194 6.088 ( -0.000 5.497 -0.000) 5.497 6.203 ( 0.000 -2.227 0.000) 2.227 6.359 ( 0.000 -2.736 0.000) 2.736 6.706 ( 0.000 -0.796 0.000) 0.796 7.195 ( 0.000 -16.755 0.000) 16.755 7.559 ( 0.000 -10.626 0.000) 10.626 7.734 ( 0.000 -0.457 0.000) 0.457 7.850 ( -0.000 4.407 -0.000) 4.407 8.450 ( 0.000 -1.476 0.000) 1.476 8.495 ( 0.000 -0.715 0.000) 0.715 8.731 ( 0.000 -8.565 0.000) 8.565 9.428 ( -0.000 2.541 -0.000) 2.541 9.482 ( -0.000 2.374 -0.000) 2.374 9.756 ( -0.000 9.333 -0.000) 9.333 9.851 ( -0.000 4.213 -0.000) 4.213 10.043 ( -0.000 1.672 -0.000) 1.672 10.298 ( 0.000 -5.004 0.000) 5.004 10.673 ( -0.000 15.579 -0.000) 15.579 10.681 ( 0.000 -2.952 0.000) 2.952 11.082 ( 0.000 -4.822 0.000) 4.822 11.269 ( 0.000 -5.696 0.000) 5.696 11.495 ( 0.000 -6.401 0.000) 6.401 11.515 ( 0.000 -12.397 0.000) 12.397 11.595 ( -0.000 5.021 -0.000) 5.021 15.307 ( 0.000 -1.796 0.000) 1.796 15.675 ( -0.000 1.840 -0.000) 1.840 19.439 ( 0.000 -0.054 0.000) 0.054 19.631 ( 0.000 -1.236 0.000) 1.236 20.752 ( -0.000 10.979 -0.000) 10.979 20.766 ( -0.000 2.990 -0.000) 2.990 20.935 ( -0.000 7.308 -0.000) 7.308 21.481 ( -0.000 5.159 -0.000) 5.159 23.012 ( 0.000 -12.911 0.000) 12.911 23.413 ( 0.000 -12.250 0.000) 12.250 24.176 ( -0.000 3.137 -0.000) 3.137 24.535 ( 0.000 -0.529 0.000) 0.529 26.659 ( 0.000 -0.179 0.000) 0.179 26.805 ( -0.000 0.124 -0.000) 0.124 ======================= Grid point 30 (20/95) ======================= q-point: (-0.67 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( 6.816 0.000 2.320) 7.200 1.952 ( 5.393 0.000 3.546) 6.454 2.093 ( 13.949 0.000 -0.216) 13.951 2.196 ( 0.151 0.000 -3.648) 3.651 2.500 ( 2.134 0.000 0.540) 2.202 2.584 ( -9.470 -0.000 2.576) 9.814 2.652 ( 0.803 0.000 -2.076) 2.226 2.794 ( 16.420 0.000 -3.797) 16.853 2.874 ( 7.621 0.000 -3.510) 8.391 2.890 ( -2.811 -0.000 -3.427) 4.432 3.067 ( -0.914 -0.000 3.068) 3.201 3.297 ( -0.571 -0.000 2.754) 2.813 3.323 ( -2.506 -0.000 -3.344) 4.179 3.479 ( 8.058 0.000 1.445) 8.186 3.534 ( -2.939 -0.000 -6.616) 7.240 3.582 ( 0.570 0.000 3.963) 4.004 3.743 ( 5.882 0.000 2.312) 6.320 4.017 ( -1.175 -0.000 -7.810) 7.898 4.086 ( 4.962 0.000 5.715) 7.568 4.136 ( -1.751 -0.000 4.780) 5.091 4.371 ( -3.057 -0.000 3.237) 4.452 4.373 ( 1.398 0.000 2.646) 2.992 4.477 ( 1.500 0.000 2.275) 2.725 4.701 ( -1.084 -0.000 -0.218) 1.106 4.774 ( -6.377 -0.000 -3.693) 7.369 4.813 ( -0.691 -0.000 -1.714) 1.848 4.916 ( -4.132 -0.000 2.524) 4.842 5.259 ( 1.571 0.000 0.517) 1.654 5.426 ( -3.508 -0.000 5.860) 6.830 5.486 ( 0.978 0.000 -1.456) 1.753 5.561 ( -9.098 -0.000 0.312) 9.104 5.649 ( 0.876 0.000 -5.845) 5.910 5.887 ( -3.077 -0.000 0.364) 3.098 6.005 ( -2.362 -0.000 1.589) 2.847 6.175 ( -8.485 -0.000 1.376) 8.596 6.320 ( 1.721 0.000 -8.458) 8.631 6.844 ( -12.523 -0.000 -2.336) 12.739 6.906 ( -11.063 -0.000 1.490) 11.162 7.477 ( -23.046 -0.000 12.925) 26.423 7.614 ( -10.866 -0.000 -11.712) 15.976 7.728 ( 11.394 0.000 -7.324) 13.546 7.996 ( -3.519 -0.000 5.002) 6.116 8.362 ( 9.679 0.000 -8.571) 12.929 8.398 ( 8.673 0.000 9.595) 12.934 8.504 ( 1.728 0.000 8.592) 8.764 8.649 ( -3.187 -0.000 -4.373) 5.411 9.531 ( 27.482 0.000 -3.279) 27.677 9.586 ( -6.081 -0.000 3.549) 7.041 10.093 ( 7.737 0.000 -15.161) 17.022 10.216 ( -11.209 -0.000 12.876) 17.072 10.312 ( 5.170 0.000 -8.353) 9.824 10.721 ( -2.534 -0.000 3.981) 4.719 10.817 ( -12.933 -0.000 7.473) 14.936 11.123 ( -10.193 -0.000 1.064) 10.249 11.243 ( 0.517 0.000 12.485) 12.496 11.690 ( 2.233 0.000 -14.415) 14.587 11.829 ( -13.142 -0.000 -11.489) 17.456 11.935 ( -10.546 -0.000 8.909) 13.806 15.392 ( -3.181 -0.000 -6.010) 6.800 15.439 ( 6.380 0.000 7.019) 9.485 19.611 ( -4.636 -0.000 -7.034) 8.425 19.676 ( -0.186 -0.000 6.740) 6.743 20.714 ( 2.606 0.000 2.655) 3.721 21.061 ( 1.760 0.000 3.452) 3.875 21.338 ( 5.577 0.000 -7.167) 9.082 21.759 ( 1.797 0.000 0.885) 2.003 22.255 ( -1.564 -0.000 -1.167) 1.952 22.342 ( 15.136 0.000 1.356) 15.197 24.414 ( -1.707 -0.000 -4.783) 5.078 24.533 ( -4.189 -0.000 4.490) 6.140 26.905 ( -2.689 -0.000 -2.624) 3.757 26.914 ( -6.086 -0.000 3.206) 6.879 ======================= Grid point 32 (21/95) ======================= q-point: (-0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( 6.314 6.554 -0.546) 9.117 2.051 ( -3.124 5.184 -2.221) 6.447 2.157 ( 8.436 -4.376 -1.588) 9.635 2.354 ( 0.909 2.436 3.642) 4.475 2.400 ( 2.015 2.578 6.141) 6.958 2.538 ( -1.566 -2.684 2.009) 3.701 2.675 ( 1.325 -2.554 3.891) 4.839 2.841 ( 2.946 14.392 -8.444) 16.944 2.915 ( -2.277 -0.190 2.404) 3.317 3.023 ( 3.262 -6.609 -0.166) 7.372 3.182 ( 5.325 -10.130 -6.442) 13.133 3.280 ( 1.931 5.185 1.312) 5.686 3.385 ( 6.710 -3.348 -2.350) 7.858 3.408 ( -4.146 -0.866 -6.515) 7.771 3.579 ( 1.215 2.707 4.416) 5.320 3.606 ( 2.014 -1.002 0.767) 2.377 3.871 ( 6.883 -0.540 -0.393) 6.915 3.969 ( -3.543 0.530 -8.342) 9.079 4.052 ( -4.810 4.017 8.314) 10.411 4.134 ( 1.417 -0.805 3.248) 3.633 4.296 ( -0.051 10.191 0.686) 10.214 4.413 ( 1.090 -2.515 5.330) 5.993 4.503 ( 2.132 3.231 -0.630) 3.922 4.672 ( 3.508 0.690 0.038) 3.575 4.744 ( -1.949 -3.860 0.142) 4.326 4.791 ( -2.074 -4.094 -2.483) 5.218 4.881 ( -0.164 4.306 0.734) 4.372 5.213 ( -3.903 4.477 3.063) 6.683 5.337 ( -6.189 -1.329 3.702) 7.333 5.428 ( -2.503 2.515 -2.506) 4.344 5.533 ( 3.352 -0.672 -3.949) 5.223 5.711 ( 4.024 -1.600 -2.168) 4.843 5.825 ( -5.149 -3.127 0.745) 6.070 6.025 ( 1.360 -1.963 -0.517) 2.444 6.080 ( -2.652 -4.234 3.877) 6.323 6.289 ( -7.654 -1.400 -9.120) 11.988 6.627 ( -16.113 0.255 4.373) 16.697 6.661 ( -5.821 -3.329 -4.085) 7.852 7.051 ( -22.537 -0.787 8.813) 24.211 7.567 ( 4.552 -1.004 -15.494) 16.181 7.783 ( -15.783 -0.892 11.477) 19.535 7.904 ( 5.763 -1.175 -7.033) 9.169 8.369 ( -6.517 -0.717 -0.230) 6.561 8.488 ( 4.015 0.195 2.504) 4.736 8.695 ( 7.309 3.174 -1.875) 8.186 8.759 ( 13.190 -3.779 6.385) 15.134 9.534 ( 5.290 1.684 1.598) 5.777 9.955 ( 13.864 1.903 -2.255) 14.175 10.021 ( -8.507 -1.465 14.030) 16.473 10.205 ( 7.631 4.527 -15.707) 18.040 10.382 ( 2.567 0.497 -8.170) 8.578 10.552 ( -15.343 -1.600 3.622) 15.846 10.735 ( 3.471 -0.714 7.194) 8.020 10.966 ( -8.853 -5.630 -1.468) 10.594 11.238 ( -1.934 1.257 8.295) 8.609 11.451 ( -16.454 -4.616 -7.862) 18.811 11.693 ( -15.731 0.928 12.990) 20.422 11.812 ( 2.055 0.751 -13.819) 13.991 15.325 ( -3.087 -0.072 -5.951) 6.704 15.571 ( 7.258 0.946 6.561) 9.829 19.518 ( -4.702 -0.270 -3.989) 6.172 19.672 ( -1.126 -0.178 4.221) 4.372 20.764 ( 2.791 0.849 0.879) 3.047 21.087 ( 1.369 1.767 4.645) 5.154 21.348 ( -1.038 5.134 -6.890) 8.655 21.764 ( 0.107 3.267 -0.282) 3.281 22.297 ( 5.453 -3.539 0.839) 6.554 22.666 ( 15.722 -4.351 0.266) 16.315 24.374 ( -1.992 0.767 -4.162) 4.677 24.475 ( -2.893 -1.690 3.937) 5.170 26.802 ( -6.631 -0.923 2.980) 7.328 26.855 ( -2.398 -0.116 -2.312) 3.333 ======================= Grid point 33 (22/95) ======================= q-point: (-0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( -3.748 15.982 -3.271) 16.738 1.875 ( -3.492 14.578 -6.960) 16.528 2.155 ( -6.595 4.153 14.547) 16.503 2.303 ( -13.834 8.824 -3.231) 16.723 2.470 ( 11.076 -8.829 4.297) 14.801 2.587 ( 4.649 -8.811 -1.240) 10.039 2.770 ( 6.563 10.128 -5.797) 13.389 2.829 ( 7.672 -2.783 6.676) 10.544 2.935 ( 0.064 -2.732 0.994) 2.908 3.123 ( -0.186 -2.544 1.292) 2.859 3.202 ( 0.873 -5.530 -7.509) 9.366 3.324 ( 3.320 4.990 -3.278) 6.831 3.373 ( 0.459 -1.387 -1.568) 2.144 3.465 ( -0.356 8.748 4.889) 10.028 3.566 ( -5.105 4.934 0.664) 7.131 3.715 ( 4.405 -3.649 1.211) 5.847 3.775 ( -0.713 4.925 -6.900) 8.507 3.958 ( -1.276 1.777 5.504) 5.923 4.059 ( 4.360 -5.433 -1.103) 7.053 4.135 ( 0.255 9.353 1.057) 9.416 4.254 ( 4.145 -0.446 -0.013) 4.169 4.478 ( 2.736 -3.603 2.272) 5.062 4.580 ( 3.923 2.410 1.989) 5.015 4.634 ( -1.559 2.447 -3.163) 4.292 4.690 ( -0.182 10.194 0.930) 10.238 4.762 ( -3.807 -0.138 -0.221) 3.816 4.978 ( 2.362 -13.849 -0.279) 14.052 5.129 ( -0.743 0.662 0.647) 1.187 5.237 ( -5.154 -1.593 2.485) 5.940 5.352 ( -0.174 7.008 -2.275) 7.370 5.598 ( 2.824 -2.086 -4.836) 5.976 5.771 ( -5.709 -5.561 2.674) 8.407 5.817 ( 4.645 -0.802 1.025) 4.824 6.043 ( -4.052 -0.366 -7.191) 8.262 6.113 ( -4.846 -3.030 1.014) 5.804 6.135 ( 0.143 -4.784 5.364) 7.189 6.383 ( -9.679 0.127 1.704) 9.829 6.687 ( 0.825 -4.559 -12.097) 12.953 6.759 ( -10.288 -8.008 5.474) 14.140 7.502 ( -16.668 -4.145 15.332) 23.024 7.678 ( 5.351 -0.987 -10.046) 11.425 7.965 ( 1.937 1.788 -4.322) 5.062 8.295 ( -2.354 -3.803 1.405) 4.688 8.577 ( 4.029 -0.821 -0.851) 4.199 8.614 ( -6.661 2.070 -9.241) 11.578 9.115 ( 18.543 -1.211 17.280) 25.375 9.718 ( 4.891 1.622 1.597) 5.395 9.816 ( -5.215 -3.116 5.558) 8.234 10.077 ( 1.927 9.157 1.788) 9.527 10.193 ( -3.996 3.314 -6.080) 7.995 10.292 ( -9.922 -0.498 -6.666) 11.963 10.502 ( 9.702 1.336 -8.836) 13.191 10.858 ( 5.011 -4.118 -2.977) 7.137 10.940 ( -1.278 -7.648 1.234) 7.852 11.172 ( -3.926 -2.101 0.860) 4.536 11.316 ( -4.539 -6.530 2.213) 8.255 11.379 ( -17.211 0.397 14.740) 22.664 11.781 ( -2.283 2.520 -9.554) 10.141 15.278 ( -1.793 -0.826 -3.532) 4.047 15.684 ( 5.522 2.062 3.858) 7.045 19.448 ( -2.918 -0.878 -1.507) 3.400 19.645 ( -1.885 0.144 1.550) 2.445 20.799 ( 2.136 1.361 -0.228) 2.543 21.073 ( 0.505 6.128 4.378) 7.548 21.221 ( -3.761 8.013 -3.966) 9.700 21.697 ( -0.820 7.488 -0.469) 7.547 22.507 ( 7.465 -11.440 -0.709) 13.679 22.976 ( 10.425 -7.893 0.454) 13.084 24.310 ( -2.449 2.901 -1.641) 4.136 24.472 ( -0.609 -3.133 1.771) 3.650 26.701 ( -5.185 -1.024 2.141) 5.703 26.819 ( -1.314 -0.043 -1.514) 2.005 ======================= Grid point 34 (23/95) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( -0.000 20.129 -0.000) 20.129 1.631 ( -0.000 23.092 -0.000) 23.092 2.006 ( -0.000 13.941 -0.000) 13.941 2.132 ( 0.000 -2.697 0.000) 2.697 2.637 ( 0.000 -6.966 0.000) 6.966 2.707 ( -0.000 13.395 -0.000) 13.395 2.780 ( 0.000 -11.058 0.000) 11.058 2.875 ( -0.000 6.069 -0.000) 6.069 3.052 ( 0.000 -7.773 0.000) 7.773 3.115 ( -0.000 1.094 -0.000) 1.094 3.186 ( -0.000 27.553 -0.000) 27.553 3.275 ( -0.000 10.856 -0.000) 10.856 3.319 ( 0.000 -5.918 0.000) 5.918 3.343 ( -0.000 6.579 -0.000) 6.579 3.536 ( 0.000 -11.851 0.000) 11.851 3.734 ( 0.000 -8.241 0.000) 8.241 3.887 ( -0.000 0.864 -0.000) 0.864 3.887 ( 0.000 -0.238 0.000) 0.238 4.067 ( -0.000 5.134 -0.000) 5.134 4.142 ( -0.000 0.729 -0.000) 0.729 4.307 ( 0.000 -1.190 0.000) 1.190 4.532 ( -0.000 4.619 -0.000) 4.619 4.553 ( 0.000 -3.696 0.000) 3.696 4.560 ( -0.000 13.752 -0.000) 13.752 4.683 ( 0.000 -3.004 0.000) 3.004 4.729 ( 0.000 -4.710 0.000) 4.710 5.049 ( 0.000 -4.883 0.000) 4.883 5.136 ( 0.000 -0.515 0.000) 0.515 5.305 ( -0.000 4.036 -0.000) 4.036 5.313 ( 0.000 -14.551 0.000) 14.551 5.650 ( -0.000 2.582 -0.000) 2.582 5.737 ( 0.000 -7.114 0.000) 7.114 5.849 ( -0.000 2.869 -0.000) 2.869 5.981 ( 0.000 -3.919 0.000) 3.919 6.139 ( 0.000 -3.531 0.000) 3.531 6.160 ( -0.000 1.383 -0.000) 1.383 6.300 ( 0.000 -2.757 0.000) 2.757 6.682 ( 0.000 -1.661 0.000) 1.661 6.856 ( 0.000 -15.900 0.000) 15.900 7.379 ( 0.000 -6.930 0.000) 6.930 7.727 ( 0.000 -0.411 0.000) 0.411 7.944 ( -0.000 4.667 -0.000) 4.667 8.350 ( 0.000 -6.942 0.000) 6.942 8.506 ( -0.000 1.500 -0.000) 1.500 8.635 ( 0.000 -2.047 0.000) 2.047 9.456 ( -0.000 0.677 -0.000) 0.677 9.489 ( 0.000 -0.874 0.000) 0.874 9.918 ( -0.000 2.720 -0.000) 2.720 9.982 ( -0.000 11.658 -0.000) 11.658 10.101 ( -0.000 3.217 -0.000) 3.217 10.196 ( 0.000 -4.804 0.000) 4.804 10.635 ( 0.000 -1.281 0.000) 1.281 10.915 ( -0.000 7.427 -0.000) 7.427 10.965 ( 0.000 -7.114 0.000) 7.114 11.167 ( 0.000 -2.842 0.000) 2.842 11.252 ( 0.000 -12.100 0.000) 12.100 11.363 ( 0.000 -6.706 0.000) 6.706 11.700 ( -0.000 4.736 -0.000) 4.736 15.272 ( 0.000 -1.512 0.000) 1.512 15.720 ( -0.000 2.324 -0.000) 2.324 19.430 ( 0.000 -0.977 0.000) 0.977 19.619 ( -0.000 0.251 -0.000) 0.251 20.811 ( -0.000 1.351 -0.000) 1.351 20.982 ( -0.000 11.254 -0.000) 11.254 21.098 ( -0.000 8.280 -0.000) 8.280 21.609 ( -0.000 7.677 -0.000) 7.677 22.727 ( 0.000 -15.073 0.000) 15.073 23.176 ( 0.000 -10.903 0.000) 10.903 24.246 ( -0.000 3.826 -0.000) 3.826 24.501 ( 0.000 -2.822 0.000) 2.822 26.653 ( 0.000 -0.308 0.000) 0.308 26.806 ( -0.000 0.032 -0.000) 0.032 ======================= Grid point 41 (24/95) ======================= q-point: (-0.56 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( 0.901 0.000 -1.449) 1.706 1.972 ( -2.638 -0.000 -5.469) 6.072 2.228 ( -11.830 -0.000 7.681) 14.105 2.298 ( 0.506 0.000 2.944) 2.988 2.454 ( 2.088 0.000 -2.447) 3.217 2.501 ( 2.821 0.000 3.147) 4.226 2.717 ( 4.801 0.000 6.053) 7.726 2.899 ( 2.684 0.000 -0.406) 2.714 2.981 ( 3.587 0.000 -4.252) 5.563 3.045 ( 1.908 0.000 3.153) 3.685 3.114 ( -1.107 -0.000 -5.674) 5.780 3.354 ( 1.903 0.000 -3.844) 4.289 3.389 ( 2.609 0.000 -5.807) 6.367 3.560 ( -4.609 -0.000 -0.020) 4.609 3.587 ( 6.027 0.000 3.058) 6.758 3.681 ( 9.547 0.000 4.384) 10.506 3.857 ( -6.498 -0.000 -12.785) 14.341 3.949 ( 1.660 0.000 -0.366) 1.700 3.987 ( -4.413 -0.000 10.247) 11.157 4.201 ( 5.143 0.000 3.304) 6.113 4.420 ( 5.437 0.000 -0.738) 5.487 4.423 ( 3.038 0.000 1.002) 3.199 4.639 ( 4.251 0.000 0.243) 4.258 4.643 ( -1.457 -0.000 3.230) 3.543 4.688 ( -4.530 -0.000 -0.657) 4.577 4.720 ( 0.141 0.000 -1.102) 1.111 4.896 ( -1.425 -0.000 -0.253) 1.447 5.193 ( -5.512 -0.000 2.034) 5.876 5.224 ( 0.211 0.000 1.588) 1.602 5.436 ( -0.099 -0.000 -2.954) 2.955 5.514 ( -4.610 -0.000 -2.901) 5.447 5.728 ( -1.495 -0.000 -0.182) 1.506 5.794 ( 5.234 0.000 2.515) 5.807 6.052 ( -7.562 -0.000 -13.432) 15.415 6.073 ( -2.453 -0.000 2.573) 3.555 6.076 ( 4.080 0.000 3.965) 5.689 6.383 ( -10.394 -0.000 3.011) 10.821 6.608 ( -0.238 -0.000 0.356) 0.428 6.707 ( -11.385 -0.000 -2.967) 11.765 7.461 ( -17.120 -0.000 15.358) 22.999 7.665 ( 5.569 0.000 -9.331) 10.867 7.984 ( 4.002 0.000 -6.782) 7.874 8.256 ( -3.747 -0.000 0.982) 3.874 8.568 ( 3.882 0.000 -0.377) 3.900 8.640 ( -7.835 -0.000 -9.535) 12.341 9.102 ( 20.161 0.000 17.374) 26.614 9.744 ( -14.008 -0.000 8.511) 16.391 9.768 ( 15.190 0.000 0.863) 15.215 10.184 ( -0.560 -0.000 5.399) 5.428 10.228 ( -5.365 -0.000 -9.842) 11.209 10.291 ( -9.097 -0.000 -7.393) 11.722 10.520 ( 11.622 0.000 -10.885) 15.923 10.797 ( -4.278 -0.000 -4.528) 6.229 10.846 ( 7.149 0.000 4.924) 8.681 11.184 ( -5.917 -0.000 -1.323) 6.063 11.207 ( -4.184 -0.000 4.934) 6.470 11.399 ( -16.418 -0.000 14.718) 22.050 11.809 ( -1.675 -0.000 -9.861) 10.002 15.270 ( -1.987 -0.000 -4.066) 4.526 15.705 ( 5.398 0.000 4.210) 6.845 19.437 ( -3.169 -0.000 -1.989) 3.741 19.649 ( -1.389 -0.000 2.212) 2.612 20.811 ( 1.594 0.000 -0.041) 1.595 21.139 ( 2.422 0.000 6.040) 6.507 21.309 ( -4.423 -0.000 -7.263) 8.503 21.796 ( 0.599 0.000 0.608) 0.854 22.365 ( 4.436 0.000 0.478) 4.462 22.892 ( 9.944 0.000 -0.288) 9.949 24.355 ( -0.718 -0.000 -3.002) 3.087 24.424 ( -1.578 -0.000 2.855) 3.262 26.691 ( -4.574 -0.000 1.944) 4.970 26.819 ( -1.255 -0.000 -1.438) 1.908 ======================= Grid point 43 (25/95) ======================= q-point: (-0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( -0.000 15.506 -0.000) 15.506 1.968 ( -0.000 6.008 -0.000) 6.008 2.081 ( 0.000 -1.692 0.000) 1.692 2.217 ( -0.000 6.450 -0.000) 6.450 2.514 ( 0.000 -5.606 0.000) 5.606 2.584 ( 0.000 -3.106 0.000) 3.106 2.846 ( 0.000 -9.906 0.000) 9.906 2.925 ( -0.000 5.692 -0.000) 5.692 2.955 ( -0.000 5.176 -0.000) 5.176 3.078 ( 0.000 -3.997 0.000) 3.997 3.170 ( 0.000 -5.737 0.000) 5.737 3.379 ( -0.000 0.496 -0.000) 0.496 3.396 ( -0.000 3.285 -0.000) 3.285 3.505 ( 0.000 -1.728 0.000) 1.728 3.578 ( -0.000 9.352 -0.000) 9.352 3.691 ( -0.000 3.842 -0.000) 3.842 3.893 ( -0.000 0.580 -0.000) 0.580 3.895 ( -0.000 0.541 -0.000) 0.541 4.018 ( 0.000 -9.954 0.000) 9.954 4.252 ( -0.000 4.342 -0.000) 4.342 4.356 ( -0.000 14.182 -0.000) 14.182 4.484 ( 0.000 -1.601 0.000) 1.601 4.634 ( -0.000 3.526 -0.000) 3.526 4.652 ( 0.000 -3.750 0.000) 3.750 4.669 ( -0.000 0.128 -0.000) 0.128 4.786 ( 0.000 -1.753 0.000) 1.753 4.878 ( 0.000 -5.527 0.000) 5.527 5.140 ( -0.000 0.564 -0.000) 0.564 5.185 ( -0.000 4.668 -0.000) 4.668 5.406 ( -0.000 3.996 -0.000) 3.996 5.531 ( 0.000 -12.123 0.000) 12.123 5.708 ( -0.000 2.515 -0.000) 2.515 5.870 ( 0.000 -0.765 0.000) 0.765 5.917 ( 0.000 -1.948 0.000) 1.948 6.093 ( 0.000 -0.589 0.000) 0.589 6.158 ( 0.000 -0.914 0.000) 0.914 6.265 ( 0.000 -0.699 0.000) 0.699 6.587 ( 0.000 -6.575 0.000) 6.575 6.680 ( 0.000 -1.457 0.000) 1.457 7.288 ( 0.000 -2.245 0.000) 2.245 7.716 ( 0.000 -0.546 0.000) 0.546 8.016 ( -0.000 2.103 -0.000) 2.103 8.243 ( 0.000 -2.985 0.000) 2.985 8.537 ( -0.000 1.128 -0.000) 1.128 8.610 ( 0.000 -0.714 0.000) 0.714 9.464 ( -0.000 0.215 -0.000) 0.215 9.470 ( 0.000 -0.702 0.000) 0.702 9.964 ( -0.000 1.617 -0.000) 1.617 10.125 ( 0.000 -1.927 0.000) 1.927 10.143 ( -0.000 0.834 -0.000) 0.834 10.161 ( -0.000 5.040 -0.000) 5.040 10.645 ( -0.000 2.323 -0.000) 2.323 10.804 ( 0.000 -7.524 0.000) 7.524 10.973 ( -0.000 0.693 -0.000) 0.693 11.093 ( 0.000 -3.659 0.000) 3.659 11.163 ( 0.000 -0.223 0.000) 0.223 11.259 ( 0.000 -2.318 0.000) 2.318 11.768 ( -0.000 1.825 -0.000) 1.825 15.251 ( 0.000 -0.517 0.000) 0.517 15.756 ( -0.000 1.011 -0.000) 1.011 19.409 ( 0.000 -0.739 0.000) 0.739 19.632 ( -0.000 0.587 -0.000) 0.587 20.824 ( -0.000 0.231 -0.000) 0.231 21.156 ( -0.000 5.106 -0.000) 5.106 21.224 ( -0.000 3.573 -0.000) 3.573 21.766 ( -0.000 6.441 -0.000) 6.441 22.461 ( 0.000 -9.407 0.000) 9.407 23.011 ( 0.000 -4.759 0.000) 4.759 24.324 ( -0.000 3.652 -0.000) 3.652 24.434 ( 0.000 -3.437 0.000) 3.437 26.648 ( 0.000 -0.160 0.000) 0.160 26.806 ( -0.000 0.002 -0.000) 0.002 ======================= Grid point 85 (26/95) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.548 ( -3.628 -0.000 26.367) 26.616 0.564 ( -5.470 -0.000 28.281) 28.805 1.069 ( 3.391 0.000 51.190) 51.302 1.400 ( 4.181 0.000 -13.555) 14.185 1.724 ( 3.168 0.000 -27.272) 27.455 2.303 ( -6.582 -0.000 6.132) 8.996 2.571 ( 0.201 0.000 -2.587) 2.595 2.768 ( -2.041 -0.000 -22.939) 23.029 2.795 ( 2.656 0.000 18.174) 18.367 3.111 ( -0.302 -0.000 4.121) 4.132 3.171 ( 2.274 0.000 -1.093) 2.523 3.296 ( -8.142 -0.000 5.410) 9.776 3.318 ( 2.910 0.000 -0.720) 2.998 3.408 ( -0.674 -0.000 -0.877) 1.106 3.488 ( 0.262 0.000 -16.319) 16.321 3.841 ( 5.978 0.000 -13.894) 15.126 4.050 ( -1.085 -0.000 0.830) 1.366 4.050 ( 1.998 0.000 4.964) 5.351 4.136 ( 1.536 0.000 -2.881) 3.265 4.238 ( -5.711 -0.000 1.623) 5.937 4.405 ( 4.401 0.000 1.660) 4.704 4.428 ( 0.251 0.000 -1.944) 1.961 4.561 ( -0.387 -0.000 3.405) 3.427 4.622 ( -3.841 -0.000 0.162) 3.844 4.910 ( 2.462 0.000 7.966) 8.338 5.012 ( -3.940 -0.000 0.972) 4.058 5.120 ( 2.177 0.000 -0.981) 2.388 5.173 ( -0.182 -0.000 -2.817) 2.823 5.370 ( -3.381 -0.000 5.762) 6.681 5.423 ( 2.728 0.000 6.894) 7.415 5.687 ( -3.469 -0.000 -0.768) 3.553 5.713 ( 3.575 0.000 1.123) 3.747 5.850 ( -13.005 -0.000 3.353) 13.431 6.018 ( -6.774 -0.000 -3.062) 7.434 6.268 ( 2.089 0.000 -7.479) 7.766 6.285 ( -6.369 -0.000 -10.310) 12.118 6.625 ( 19.892 0.000 0.199) 19.893 6.703 ( 20.514 0.000 1.224) 20.551 7.323 ( -0.555 -0.000 3.712) 3.754 7.582 ( -3.463 -0.000 -3.852) 5.180 7.879 ( 4.190 0.000 1.691) 4.519 8.020 ( -12.964 -0.000 3.200) 13.353 8.297 ( -3.970 -0.000 11.178) 11.863 8.532 ( -5.166 -0.000 7.527) 9.129 8.892 ( 13.653 0.000 -12.180) 18.296 9.095 ( 4.950 0.000 -15.406) 16.182 9.634 ( 20.865 0.000 10.830) 23.508 9.752 ( -6.981 -0.000 0.944) 7.044 9.887 ( -19.895 -0.000 2.659) 20.072 10.113 ( 13.735 0.000 -4.504) 14.455 10.121 ( -12.842 -0.000 5.865) 14.118 10.366 ( 5.332 0.000 -4.550) 7.009 10.796 ( 3.111 0.000 7.265) 7.903 11.141 ( -1.866 -0.000 -3.906) 4.329 11.357 ( -6.936 -0.000 -2.263) 7.296 11.368 ( 3.113 0.000 -6.656) 7.348 11.721 ( -5.824 -0.000 3.093) 6.594 11.783 ( 6.968 0.000 1.846) 7.208 15.345 ( -1.403 -0.000 0.383) 1.454 15.359 ( 1.391 0.000 -0.169) 1.401 19.666 ( -5.860 -0.000 0.663) 5.898 19.708 ( 29.419 0.000 -1.022) 29.437 20.561 ( -0.488 -0.000 4.724) 4.749 20.727 ( -0.970 -0.000 -2.036) 2.256 20.788 ( 10.786 0.000 2.731) 11.126 21.013 ( 1.478 0.000 -6.014) 6.193 23.376 ( 1.972 0.000 7.608) 7.860 23.816 ( -22.253 -0.000 -12.033) 25.298 24.240 ( -15.571 -0.000 7.945) 17.481 24.451 ( 1.999 0.000 -2.576) 3.260 26.760 ( -22.815 -0.000 0.674) 22.825 26.793 ( 4.065 0.000 -0.621) 4.112 ======================= Grid point 86 (27/95) ======================= q-point: ( 0.11 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( 10.904 -23.367 16.924) 30.844 0.887 ( 21.527 -7.362 16.676) 28.208 1.459 ( 22.554 -11.054 37.698) 45.299 1.684 ( 20.452 0.554 -16.512) 26.291 1.890 ( 9.155 -8.209 -25.459) 28.273 2.149 ( -4.176 -4.340 5.654) 8.261 2.485 ( -8.016 -0.500 1.693) 8.208 2.773 ( 3.127 -3.324 -12.603) 13.404 2.862 ( 1.851 -0.394 13.876) 14.004 3.048 ( -6.151 2.668 5.908) 8.937 3.097 ( -0.426 4.012 1.873) 4.448 3.275 ( 2.538 -5.583 -3.973) 7.308 3.294 ( -3.642 -0.269 3.037) 4.750 3.403 ( -2.947 5.534 -5.870) 8.589 3.481 ( 0.792 -3.809 -11.854) 12.476 3.908 ( 0.537 1.202 -6.129) 6.269 4.003 ( -1.203 2.884 -0.051) 3.125 4.021 ( -6.767 0.618 -2.073) 7.104 4.064 ( -8.532 -0.118 0.825) 8.572 4.155 ( -0.166 -0.569 -1.212) 1.350 4.362 ( -0.452 8.905 -0.213) 8.919 4.442 ( 1.103 1.596 -0.103) 1.943 4.519 ( -3.405 1.454 2.166) 4.290 4.615 ( -1.443 5.170 -3.866) 6.615 4.957 ( 1.019 2.130 1.837) 2.991 4.997 ( 1.798 -1.448 6.022) 6.450 5.103 ( -0.891 2.374 -4.446) 5.118 5.199 ( -2.855 -4.085 -1.294) 5.149 5.358 ( 2.995 0.372 6.326) 7.009 5.447 ( -3.297 -2.096 9.818) 10.567 5.539 ( -5.659 0.308 -3.080) 6.450 5.701 ( -3.167 -3.482 -1.364) 4.900 5.861 ( 5.922 -0.609 -7.021) 9.205 5.959 ( -0.251 -2.457 -9.196) 9.521 6.089 ( -6.102 0.830 -0.559) 6.183 6.327 ( 5.987 1.143 3.694) 7.127 6.770 ( 4.306 11.633 9.597) 15.684 7.092 ( 7.578 -6.349 -2.514) 10.201 7.343 ( 9.278 3.316 7.941) 12.655 7.620 ( 5.925 -2.131 -6.492) 9.044 7.796 ( -4.825 2.677 2.043) 5.885 7.886 ( -2.311 -1.291 6.665) 7.172 8.315 ( 5.077 0.343 -4.568) 6.838 8.572 ( 4.200 -0.840 7.896) 8.983 8.969 ( -7.597 4.117 -8.266) 11.958 9.149 ( -1.085 6.425 -2.693) 7.051 9.475 ( -20.749 -6.493 0.306) 21.744 9.517 ( -6.993 -2.513 -3.359) 8.155 10.079 ( 12.765 2.420 -8.250) 15.390 10.132 ( 16.275 7.323 -1.381) 17.900 10.356 ( 5.687 -5.430 2.204) 8.166 10.466 ( 1.390 -0.872 1.567) 2.269 10.914 ( 7.000 4.270 5.050) 9.630 11.007 ( -6.702 -2.964 0.368) 7.338 11.234 ( -5.626 -2.447 -6.264) 8.768 11.488 ( 7.873 0.329 -0.977) 7.940 11.644 ( -1.545 1.491 -2.205) 3.078 11.939 ( 11.346 2.617 3.325) 12.109 15.317 ( -1.664 -0.127 -0.080) 1.671 15.414 ( 1.047 -3.519 -0.978) 3.799 19.579 ( -2.430 0.843 -3.943) 4.707 19.944 ( 4.701 11.141 1.079) 12.140 20.554 ( -1.568 -3.505 3.823) 5.418 20.739 ( 1.489 -2.091 -2.505) 3.587 20.965 ( 7.444 8.845 -3.381) 12.045 21.282 ( 13.271 -7.443 -16.625) 22.537 22.968 ( -41.223 -10.688 18.749) 46.531 23.266 ( -11.256 3.081 8.164) 14.242 24.217 ( 4.895 -1.630 5.829) 7.784 24.521 ( 5.108 0.980 -1.279) 5.356 26.755 ( 11.297 1.393 -6.115) 12.921 26.877 ( 4.250 0.423 3.333) 5.418 ======================= Grid point 87 (28/95) ======================= q-point: ( 0.22 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( 1.144 -26.112 5.353) 26.679 1.309 ( 13.641 -5.594 4.271) 15.349 1.629 ( -0.221 -0.653 3.743) 3.806 2.091 ( 14.624 -4.852 -16.664) 22.696 2.231 ( 14.919 -13.886 12.040) 23.672 2.278 ( 2.896 -1.585 -2.140) 3.935 2.474 ( 9.062 -4.924 4.481) 11.245 2.859 ( -2.083 1.831 4.569) 5.345 2.926 ( 6.480 -5.148 -5.720) 10.060 2.968 ( -0.156 2.488 3.657) 4.426 3.032 ( -3.071 5.568 -0.542) 6.381 3.239 ( 1.866 -5.502 2.686) 6.400 3.264 ( -3.308 6.067 2.439) 7.328 3.417 ( 2.998 -9.619 -2.538) 10.390 3.581 ( 3.536 -8.455 -3.327) 9.749 3.709 ( -17.044 2.335 -2.588) 17.397 3.859 ( -1.729 3.942 -2.247) 4.855 3.966 ( -3.052 -0.251 3.029) 4.307 4.024 ( 0.851 1.737 -8.211) 8.436 4.128 ( -3.459 -0.238 -2.951) 4.553 4.240 ( -0.342 11.431 -2.637) 11.737 4.405 ( -3.695 3.062 -0.147) 4.801 4.438 ( -4.516 8.385 1.031) 9.579 4.535 ( 4.462 -1.499 -0.222) 4.712 4.876 ( -4.976 3.403 -0.822) 6.084 5.009 ( -4.077 4.080 4.282) 7.184 5.096 ( -5.834 -1.331 2.531) 6.497 5.135 ( 4.143 2.168 -7.790) 9.085 5.396 ( -1.270 -2.460 10.105) 10.478 5.439 ( 3.399 0.219 4.171) 5.386 5.545 ( 1.603 -0.760 -5.689) 5.959 5.648 ( -5.753 -2.449 -6.082) 8.723 5.895 ( 4.833 1.327 -5.285) 7.283 6.048 ( 3.866 -4.186 -1.029) 5.790 6.181 ( 11.409 -2.114 -2.297) 11.829 6.398 ( 0.935 1.042 7.505) 7.634 6.753 ( 4.514 6.327 5.306) 9.411 7.043 ( -4.629 0.696 -1.052) 4.798 7.573 ( 10.650 6.083 11.762) 16.994 7.735 ( -0.745 -6.019 1.022) 6.150 7.870 ( 15.606 5.525 -11.757) 20.305 7.894 ( 4.656 0.563 3.966) 6.142 8.382 ( 1.342 5.134 -8.223) 9.786 8.611 ( -0.577 2.600 2.632) 3.744 8.766 ( -13.849 6.309 7.464) 16.950 8.917 ( -9.150 -3.770 1.123) 9.960 9.194 ( -10.152 -6.067 1.381) 11.907 9.531 ( -4.265 -6.819 -4.190) 9.069 10.162 ( -1.969 7.071 -2.846) 7.873 10.284 ( 7.184 9.231 -6.785) 13.522 10.418 ( 0.812 -1.255 0.947) 1.769 10.559 ( 9.084 -7.205 -1.022) 11.640 10.769 ( -7.199 0.518 0.373) 7.227 11.179 ( 2.173 -2.732 2.377) 4.223 11.227 ( 7.748 -1.256 6.952) 10.485 11.566 ( 3.948 3.669 -4.127) 6.788 11.689 ( 7.483 0.651 -4.800) 8.914 12.108 ( 8.916 3.308 2.537) 9.843 15.291 ( -1.160 -0.071 0.309) 1.203 15.454 ( 0.663 -1.737 -0.613) 1.958 19.560 ( 0.648 -0.836 -5.273) 5.378 19.876 ( 0.224 9.159 6.975) 11.515 20.580 ( -0.567 -4.323 0.525) 4.392 20.806 ( 1.732 -4.583 -2.463) 5.484 21.024 ( 5.745 3.069 -0.500) 6.532 21.457 ( 5.189 -3.534 -4.289) 7.603 22.535 ( -21.404 -5.899 0.842) 22.218 22.969 ( -16.675 3.249 5.524) 17.864 24.346 ( 5.165 -2.519 4.206) 7.122 24.589 ( 4.332 3.119 -1.600) 5.572 26.909 ( 6.986 3.017 -4.028) 8.610 26.939 ( 3.708 0.949 2.271) 4.451 ======================= Grid point 88 (29/95) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( -7.145 -11.873 -8.906) 16.472 1.587 ( 9.727 -6.197 6.456) 13.218 1.916 ( 9.450 -13.087 5.527) 17.062 2.145 ( -1.487 -4.321 -3.652) 5.849 2.354 ( 7.254 7.312 -7.332) 12.644 2.407 ( -2.203 5.102 1.273) 5.701 2.693 ( -0.907 -4.211 10.734) 11.566 2.804 ( -2.445 -0.540 -0.131) 2.507 2.897 ( -0.844 3.193 -4.746) 5.782 3.062 ( 2.234 -9.280 1.498) 9.662 3.094 ( 4.542 -7.993 -0.949) 9.242 3.188 ( -0.610 -0.705 0.758) 1.201 3.329 ( -5.683 -0.820 -0.328) 5.752 3.447 ( -0.593 -0.882 5.633) 5.732 3.527 ( 0.638 -0.545 5.285) 5.352 3.723 ( 1.568 -4.111 1.698) 4.716 3.838 ( -1.732 -2.035 0.187) 2.679 3.920 ( -2.289 -1.918 0.383) 3.011 4.006 ( -0.767 -1.189 -7.163) 7.302 4.085 ( 2.096 1.202 -5.762) 6.248 4.123 ( -1.041 13.475 -2.772) 13.796 4.286 ( 0.969 2.904 0.682) 3.137 4.394 ( 2.937 0.383 -1.829) 3.481 4.709 ( 9.818 -2.367 -0.628) 10.119 4.734 ( -7.608 3.516 -0.453) 8.393 4.814 ( -4.786 7.735 2.321) 9.388 5.016 ( -4.946 0.467 -0.217) 4.973 5.166 ( 3.319 2.380 -3.734) 5.534 5.456 ( 2.219 -2.680 1.349) 3.731 5.491 ( 2.268 0.397 2.772) 3.603 5.545 ( -1.021 -1.434 -1.754) 2.485 5.616 ( 1.377 -0.271 -2.949) 3.266 5.982 ( 5.066 2.118 -3.265) 6.389 6.174 ( 5.633 -2.012 0.707) 6.023 6.335 ( 2.113 2.160 0.991) 3.180 6.438 ( 4.407 -3.430 1.932) 5.909 6.846 ( 7.543 -0.888 1.990) 7.851 7.005 ( 2.278 2.118 -2.095) 3.751 7.630 ( 0.066 4.812 4.433) 6.543 7.736 ( -1.065 -1.139 1.419) 2.108 8.047 ( 10.240 4.232 0.468) 11.090 8.078 ( 8.882 1.992 -2.581) 9.461 8.228 ( -4.933 3.226 -2.137) 6.270 8.339 ( -17.374 3.625 2.964) 17.994 8.698 ( -3.438 -1.512 4.751) 6.056 8.737 ( -1.374 3.943 -1.790) 4.543 9.255 ( -5.082 -5.538 -1.289) 7.627 9.446 ( -4.747 -6.479 3.222) 8.654 9.946 ( -11.295 2.863 -4.213) 12.391 10.240 ( -0.783 5.514 -1.288) 5.717 10.556 ( 11.986 2.445 -8.689) 15.004 10.661 ( -1.070 -2.323 7.863) 8.268 10.823 ( 8.025 -1.298 -5.647) 9.899 11.223 ( 0.099 -5.634 2.375) 6.115 11.343 ( 2.932 2.691 11.211) 11.896 11.609 ( 2.412 1.533 -3.905) 4.840 11.847 ( 10.819 1.199 -4.936) 11.952 12.194 ( 3.461 2.833 1.013) 4.586 15.279 ( 0.183 0.638 1.283) 1.445 15.474 ( -0.177 -1.351 -1.036) 1.712 19.594 ( 0.937 -2.659 -5.780) 6.431 19.806 ( 0.510 6.781 8.084) 10.564 20.615 ( 0.887 -2.320 -2.375) 3.437 20.870 ( 0.347 -4.562 -2.458) 5.193 21.092 ( 3.406 1.817 2.533) 4.617 21.623 ( 7.193 -7.823 0.073) 10.628 22.214 ( -15.615 1.969 -2.214) 15.893 22.645 ( -14.410 2.290 1.780) 14.699 24.444 ( 2.369 -2.348 3.004) 4.489 24.618 ( 2.916 3.852 -1.777) 5.147 26.954 ( 1.565 0.671 1.165) 2.063 27.006 ( 4.214 2.668 -1.485) 5.204 ======================= Grid point 89 (30/95) ======================= q-point: ( 0.44 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( 5.916 -6.389 2.312) 9.009 1.799 ( 7.310 -3.090 1.633) 8.103 1.977 ( -2.817 -5.783 -2.585) 6.933 2.133 ( -10.024 6.948 4.233) 12.910 2.374 ( 5.586 -8.893 1.807) 10.656 2.427 ( 2.211 4.793 -5.088) 7.332 2.623 ( -8.076 8.028 -5.840) 12.797 2.690 ( 1.165 -0.859 3.269) 3.575 2.899 ( -0.696 -2.456 -0.886) 2.702 3.025 ( -4.623 -1.959 -0.821) 5.088 3.214 ( 4.098 -3.106 -1.892) 5.479 3.261 ( 1.494 1.200 -4.513) 4.902 3.327 ( -0.846 -5.893 8.375) 10.276 3.506 ( 2.135 -5.494 5.451) 8.028 3.583 ( -0.108 -0.707 3.429) 3.503 3.720 ( -3.066 8.820 1.368) 9.437 3.740 ( -1.708 -5.480 3.123) 6.535 3.855 ( -1.521 1.928 1.200) 2.733 3.990 ( 0.046 8.773 -1.354) 8.877 4.124 ( 2.449 -0.142 -4.385) 5.024 4.129 ( 3.613 -8.755 -1.140) 9.539 4.308 ( 1.420 4.237 -0.085) 4.469 4.470 ( 0.221 -0.474 -3.595) 3.633 4.544 ( -4.990 1.295 2.393) 5.684 4.697 ( -0.141 2.152 3.033) 3.722 4.799 ( -2.245 3.775 -4.627) 6.380 5.079 ( 7.820 -4.212 -0.296) 8.887 5.205 ( 2.874 1.497 -3.840) 5.025 5.450 ( -0.559 0.509 -3.300) 3.386 5.527 ( -0.023 0.188 0.578) 0.608 5.581 ( -0.647 -5.161 -0.679) 5.246 5.648 ( 2.921 3.823 -3.075) 5.709 6.032 ( 2.104 1.453 3.162) 4.066 6.261 ( 2.525 -0.186 -0.802) 2.655 6.349 ( 3.331 1.133 -2.079) 4.087 6.519 ( 0.467 -1.648 0.937) 1.953 6.994 ( 2.832 -3.391 5.285) 6.889 7.063 ( 4.548 0.564 -3.861) 5.992 7.506 ( -5.551 0.263 3.069) 6.348 7.667 ( -9.064 1.857 -2.967) 9.717 7.974 ( -4.222 4.563 5.682) 8.422 8.113 ( -0.765 -1.147 -2.248) 2.638 8.201 ( 4.816 0.824 -0.654) 4.930 8.424 ( 18.579 0.239 1.398) 18.633 8.610 ( 0.654 4.384 5.658) 7.187 8.748 ( -2.714 -0.100 -1.084) 2.924 8.991 ( -20.621 -4.535 4.646) 21.619 9.474 ( 0.289 3.193 -13.073) 13.460 9.811 ( -2.974 -3.657 1.371) 4.909 10.172 ( -2.163 1.824 2.222) 3.598 10.707 ( 1.294 -3.522 3.530) 5.152 10.748 ( 11.444 3.462 -7.069) 13.890 10.906 ( 1.023 -0.493 -0.397) 1.203 11.287 ( 2.177 -0.487 0.992) 2.441 11.336 ( -0.951 2.326 7.693) 8.093 11.593 ( -3.267 -1.089 -1.920) 3.943 12.017 ( 7.777 0.880 -1.761) 8.022 12.192 ( -1.718 -0.136 -1.169) 2.083 15.287 ( 1.571 1.522 2.368) 3.224 15.473 ( -1.272 -1.468 -1.916) 2.728 19.602 ( -1.420 0.007 -4.894) 5.096 19.800 ( 2.211 0.678 7.308) 7.665 20.656 ( 2.741 0.289 -4.675) 5.427 20.906 ( -0.096 -2.668 -2.644) 3.757 21.113 ( 0.082 0.901 4.018) 4.119 21.782 ( -5.238 -1.923 10.982) 12.318 21.992 ( 1.527 -0.299 -10.858) 10.969 22.435 ( -5.489 0.818 0.031) 5.550 24.487 ( -0.206 -2.099 2.306) 3.125 24.624 ( 1.666 2.909 -1.614) 3.721 26.969 ( 0.060 -0.504 0.564) 0.759 27.036 ( 1.797 1.897 -0.477) 2.656 ======================= Grid point 90 (31/95) ======================= q-point: (-0.44 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( -0.906 1.665 2.877) 3.445 1.832 ( -7.826 4.308 2.550) 9.290 1.939 ( -0.326 1.627 -5.157) 5.417 2.110 ( 8.582 -5.083 4.764) 11.054 2.221 ( -11.008 5.363 0.269) 12.248 2.506 ( 1.379 -4.267 -2.030) 4.922 2.569 ( 4.541 1.471 -4.048) 6.259 2.788 ( 6.506 -3.225 0.833) 7.309 2.949 ( 1.890 1.103 1.236) 2.514 2.983 ( -0.663 -1.518 -5.313) 5.565 3.163 ( -2.767 4.299 1.290) 5.273 3.299 ( -0.360 1.203 -4.332) 4.510 3.344 ( -1.278 0.376 5.989) 6.136 3.532 ( 3.638 6.314 6.706) 9.903 3.577 ( -1.722 6.264 3.969) 7.613 3.622 ( 1.812 -0.181 2.664) 3.227 3.809 ( -0.223 -4.920 0.668) 4.971 3.867 ( -1.871 -2.733 2.913) 4.410 3.962 ( 3.605 -0.462 -2.400) 4.355 4.094 ( -3.530 3.790 -4.377) 6.781 4.214 ( 0.899 -1.886 -2.027) 2.911 4.299 ( -2.959 -1.612 3.837) 5.107 4.369 ( -0.173 5.330 -5.722) 7.822 4.548 ( -1.016 -2.106 0.763) 2.459 4.711 ( 0.981 -2.369 1.319) 2.884 4.790 ( 2.828 -4.221 -2.311) 5.581 5.144 ( -3.557 -1.077 0.373) 3.735 5.236 ( 0.967 0.657 -4.529) 4.678 5.453 ( -0.204 -0.321 -1.391) 1.442 5.491 ( -2.066 1.724 -2.785) 3.873 5.593 ( 0.835 3.827 -0.941) 4.029 5.626 ( -2.607 -3.999 -1.135) 4.907 6.011 ( -2.772 1.595 2.372) 3.982 6.292 ( -1.483 -3.104 -1.196) 3.642 6.396 ( 0.192 -0.295 -1.638) 1.675 6.518 ( -0.114 -0.571 1.139) 1.279 6.908 ( -9.452 1.242 1.940) 9.729 7.111 ( -3.147 -0.980 -0.044) 3.297 7.488 ( -3.714 -2.620 2.555) 5.215 7.640 ( 16.740 0.652 -2.329) 16.914 7.903 ( -1.802 1.064 3.564) 4.133 8.128 ( -7.651 -4.265 -0.488) 8.773 8.248 ( 0.970 -1.216 -1.385) 2.082 8.590 ( -3.700 -1.025 2.974) 4.856 8.637 ( 1.506 0.177 9.057) 9.183 8.696 ( -7.396 0.969 -3.770) 8.358 8.890 ( 21.680 0.674 2.171) 21.799 9.442 ( 2.444 5.311 -11.260) 12.687 9.824 ( -0.586 -5.367 0.855) 5.466 10.134 ( -2.150 -0.885 1.564) 2.802 10.710 ( -3.745 2.738 -4.390) 6.387 10.793 ( -4.666 -0.870 3.343) 5.805 10.981 ( 7.771 1.990 -3.970) 8.950 11.267 ( 0.608 4.937 7.956) 9.383 11.334 ( -2.188 -4.006 2.027) 4.995 11.524 ( -4.797 -1.377 -1.981) 5.370 12.072 ( -2.909 -1.461 -2.006) 3.824 12.158 ( -2.282 -2.085 -0.842) 3.204 15.308 ( 2.022 1.611 2.917) 3.898 15.455 ( -1.588 -0.917 -2.468) 3.074 19.553 ( -1.760 1.970 -2.899) 3.922 19.857 ( 0.648 -3.952 5.362) 6.693 20.697 ( 3.434 2.371 -5.328) 6.768 20.915 ( -0.015 0.357 -3.305) 3.325 21.080 ( -2.779 1.716 4.914) 5.900 21.561 ( -10.783 5.267 4.613) 12.856 22.139 ( 7.711 -1.375 -3.800) 8.706 22.490 ( 9.681 -4.902 -0.313) 10.856 24.489 ( -2.069 -2.146 2.459) 3.865 24.620 ( 0.379 1.501 -1.745) 2.333 26.962 ( -2.084 -1.373 0.473) 2.539 27.043 ( 0.404 0.347 -0.386) 0.658 ======================= Grid point 91 (32/95) ======================= q-point: (-0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( -12.643 6.731 -11.356) 18.278 1.617 ( -8.641 8.880 10.520) 16.254 1.939 ( -3.070 3.667 8.091) 9.399 2.060 ( 4.350 -1.794 -8.955) 10.116 2.326 ( 2.925 2.406 0.358) 3.805 2.417 ( -2.525 5.202 -2.865) 6.453 2.638 ( 0.023 2.400 2.042) 3.152 2.873 ( -2.024 -0.889 -0.950) 2.406 3.002 ( 7.493 1.212 -0.499) 7.607 3.024 ( -0.927 -3.022 3.743) 4.899 3.145 ( -0.066 3.067 -2.140) 3.741 3.253 ( -3.761 -0.470 -1.068) 3.938 3.321 ( 1.629 1.646 7.531) 7.879 3.437 ( 4.145 8.025 1.525) 9.160 3.480 ( -4.080 5.840 9.110) 11.565 3.720 ( 0.731 2.647 -4.526) 5.294 3.805 ( -1.396 1.181 1.193) 2.183 3.863 ( 0.109 -0.194 0.984) 1.009 3.920 ( -0.111 5.876 -7.849) 9.806 4.066 ( -0.552 -6.330 -1.697) 6.577 4.193 ( -1.538 1.127 -8.896) 9.098 4.276 ( 0.573 -4.770 2.685) 5.504 4.405 ( 0.765 -6.576 -0.925) 6.685 4.563 ( 0.836 -3.745 0.665) 3.895 4.824 ( 4.650 -4.528 -1.181) 6.597 4.897 ( 4.764 -3.881 -0.759) 6.191 5.046 ( -7.296 -1.513 4.470) 8.689 5.210 ( -1.321 0.015 -4.777) 4.956 5.354 ( -4.471 3.472 0.163) 5.663 5.503 ( 0.704 -0.305 -1.242) 1.460 5.557 ( -2.680 -1.341 3.646) 4.720 5.671 ( 5.161 -0.206 -3.780) 6.401 5.922 ( -3.727 2.505 -2.409) 5.096 6.277 ( -4.032 -2.540 -1.165) 4.906 6.316 ( -6.275 1.012 -0.629) 6.387 6.552 ( 1.148 -1.654 5.022) 5.411 6.726 ( -8.042 3.047 0.406) 8.609 7.014 ( -5.774 -3.095 -1.222) 6.664 7.552 ( 0.030 -4.376 3.720) 5.743 7.694 ( -9.816 1.243 2.641) 10.240 7.902 ( -11.556 -5.031 -1.239) 12.665 8.117 ( 16.650 -1.433 -0.017) 16.712 8.260 ( -0.578 -3.108 -2.494) 4.027 8.519 ( -5.153 -1.959 0.473) 5.533 8.611 ( 0.592 -1.263 2.927) 3.242 8.810 ( 14.914 2.586 1.796) 15.243 9.302 ( 17.467 2.011 0.447) 17.588 9.410 ( 2.061 4.282 0.516) 4.780 9.930 ( 5.442 -6.141 -2.356) 8.537 10.095 ( -3.455 -1.873 -1.884) 4.358 10.496 ( -9.090 10.044 -4.097) 14.152 10.696 ( -7.838 -2.826 -1.382) 8.446 11.025 ( 0.534 4.599 -2.539) 5.280 11.260 ( -6.795 -7.285 9.883) 14.033 11.346 ( 3.751 0.692 6.772) 7.772 11.459 ( -2.833 -0.596 -6.174) 6.819 11.963 ( -10.496 -4.340 -7.471) 13.595 12.117 ( -4.972 -1.296 3.768) 6.372 15.330 ( 1.074 0.327 2.298) 2.558 15.433 ( -0.411 1.079 -2.064) 2.365 19.505 ( -1.311 1.282 -2.777) 3.327 19.890 ( -2.568 -4.674 5.066) 7.355 20.717 ( 1.268 1.969 -2.856) 3.693 20.883 ( -1.300 3.466 -3.811) 5.313 20.995 ( -1.933 5.663 3.777) 7.076 21.333 ( -8.343 5.643 0.655) 10.094 22.343 ( 13.832 -3.012 -1.122) 14.201 22.813 ( 16.976 -6.987 0.560) 18.366 24.456 ( -3.862 -1.643 3.805) 5.665 24.602 ( -1.170 0.610 -2.437) 2.772 26.915 ( -4.516 -1.290 0.375) 4.712 27.052 ( -0.025 -2.094 -0.707) 2.210 ======================= Grid point 92 (33/95) ======================= q-point: (-0.22 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( -9.941 8.794 -1.880) 13.405 1.276 ( -17.808 10.754 14.575) 25.401 1.832 ( -6.535 4.918 -0.417) 8.190 2.103 ( -9.566 10.699 -16.257) 21.686 2.195 ( -0.138 -1.896 -0.456) 1.955 2.302 ( -10.702 20.004 12.498) 25.902 2.527 ( -1.343 5.355 2.056) 5.892 2.813 ( -5.617 -1.786 5.486) 8.052 2.914 ( -5.034 -0.132 -0.954) 5.125 3.002 ( 0.251 -0.707 -1.353) 1.546 3.148 ( -0.281 2.309 -0.060) 2.327 3.278 ( -3.381 1.256 2.898) 4.626 3.316 ( 0.458 0.753 6.467) 6.527 3.349 ( 1.242 -4.060 -0.289) 4.255 3.549 ( 0.599 5.423 -10.435) 11.776 3.665 ( 8.915 -2.307 -5.100) 10.526 3.814 ( 2.407 3.577 -3.748) 5.713 3.945 ( 11.582 0.894 6.944) 13.534 3.994 ( 4.063 -1.208 -5.298) 6.785 4.083 ( -0.248 -3.028 -3.062) 4.313 4.221 ( 4.387 -3.587 -4.639) 7.323 4.388 ( 2.967 -5.498 -1.280) 6.378 4.461 ( -3.039 -9.562 3.275) 10.554 4.614 ( 0.801 -1.008 -2.315) 2.649 4.909 ( -2.760 -4.061 1.985) 5.297 4.998 ( 5.484 -1.751 -0.978) 5.840 5.032 ( 3.875 -1.983 0.222) 4.358 5.210 ( 1.116 -2.159 1.920) 3.097 5.277 ( -1.476 1.456 1.593) 2.615 5.485 ( -1.778 -0.374 -4.181) 4.558 5.542 ( -0.477 -0.652 4.852) 4.919 5.781 ( 3.214 -2.218 -3.477) 5.228 5.856 ( 2.339 5.110 -4.801) 7.391 6.095 ( -6.929 5.327 -1.197) 8.821 6.294 ( -0.979 -2.200 -7.166) 7.560 6.513 ( -11.387 2.891 6.860) 13.605 6.566 ( -4.170 -1.460 7.251) 8.491 6.934 ( -9.075 -2.204 2.227) 9.601 7.427 ( -10.619 -0.909 5.858) 12.161 7.567 ( -5.074 -5.506 3.480) 8.256 7.841 ( -0.355 -1.109 -2.360) 2.632 8.283 ( -0.886 1.246 -11.058) 11.164 8.339 ( 5.590 -6.077 -3.221) 8.863 8.469 ( -2.592 -1.959 5.120) 6.064 8.761 ( 8.425 -7.259 7.157) 13.225 9.102 ( 19.431 5.871 3.730) 20.638 9.285 ( -2.304 4.578 2.269) 5.605 9.511 ( -0.389 6.316 -5.552) 8.418 10.026 ( -2.687 -3.877 0.073) 4.718 10.133 ( 7.728 -2.654 -7.005) 10.763 10.320 ( 1.569 5.241 -1.663) 5.718 10.556 ( -10.011 -2.240 -1.221) 10.331 10.940 ( -2.985 6.449 -0.879) 7.160 11.189 ( -9.754 -10.057 9.123) 16.718 11.402 ( -0.509 -0.183 -7.326) 7.346 11.434 ( 0.788 -1.432 5.653) 5.885 11.786 ( -10.914 -3.442 -10.168) 15.308 12.005 ( -8.738 -1.471 6.217) 10.824 15.344 ( -0.048 -0.980 0.825) 1.282 15.415 ( 1.121 3.793 -1.217) 4.138 19.468 ( -1.643 0.446 -3.571) 3.956 19.860 ( -5.453 -3.482 5.640) 8.583 20.690 ( -3.102 0.315 2.564) 4.037 20.801 ( -2.461 3.226 -5.337) 6.705 20.922 ( 0.972 8.957 1.601) 9.151 21.144 ( -4.848 6.722 -2.168) 8.567 22.710 ( 19.365 -7.516 -0.106) 20.772 23.226 ( 19.951 -6.512 1.910) 21.073 24.387 ( -5.085 -0.766 6.609) 8.374 24.556 ( -2.735 0.900 -3.263) 4.352 26.830 ( -5.020 -0.371 -0.922) 5.118 27.084 ( -0.796 -5.721 -1.238) 5.907 ======================= Grid point 93 (34/95) ======================= q-point: (-0.11 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( -5.192 5.858 23.886) 25.135 0.829 ( -20.475 7.246 19.879) 29.443 1.461 ( -28.417 18.055 26.477) 42.832 1.615 ( -20.553 7.104 -11.677) 24.683 1.828 ( -5.999 9.230 -21.878) 24.491 2.328 ( 2.190 -0.277 7.392) 7.715 2.507 ( 4.854 3.499 -4.894) 7.730 2.768 ( -2.831 -1.815 9.370) 9.955 2.846 ( 0.103 3.691 -9.056) 9.780 3.067 ( 0.003 -1.453 6.180) 6.349 3.160 ( 3.784 -3.121 -0.190) 4.909 3.215 ( 0.877 0.088 -0.346) 0.946 3.312 ( -0.205 2.247 9.158) 9.432 3.452 ( 1.839 -2.236 -8.015) 8.522 3.486 ( 0.085 2.955 -9.842) 10.277 3.772 ( 3.120 0.252 -13.782) 14.133 3.935 ( 8.327 -2.790 1.282) 8.875 4.031 ( 0.352 -3.385 0.613) 3.458 4.100 ( 3.442 0.925 -3.401) 4.926 4.213 ( 7.743 -1.555 5.929) 9.875 4.357 ( 5.198 -3.109 -3.448) 6.970 4.384 ( -3.024 -1.970 0.365) 3.627 4.550 ( -0.155 -4.085 0.891) 4.184 4.636 ( -0.047 -6.913 -2.125) 7.232 4.888 ( -1.257 -1.198 3.240) 3.676 5.078 ( -1.873 -2.310 3.641) 4.701 5.114 ( 4.825 4.395 -3.257) 7.295 5.215 ( -3.408 0.006 -3.856) 5.146 5.314 ( 4.472 -2.424 7.628) 9.168 5.439 ( -1.975 2.341 -5.983) 6.722 5.612 ( 2.961 -6.754 2.927) 7.934 5.790 ( -5.660 3.121 -0.002) 6.463 5.865 ( 10.648 -2.608 -4.623) 11.897 6.112 ( 10.440 6.492 -5.809) 13.597 6.201 ( -11.672 3.011 7.594) 14.247 6.282 ( -2.519 0.352 -12.525) 12.781 6.523 ( -1.713 -0.112 10.303) 10.445 6.677 ( -16.904 0.745 10.633) 19.984 7.340 ( -0.361 1.383 1.808) 2.305 7.593 ( 0.827 -3.651 1.879) 4.188 7.831 ( -0.622 0.343 2.396) 2.499 8.185 ( -6.534 -0.083 -8.367) 10.617 8.380 ( -4.284 -1.204 16.062) 16.667 8.644 ( 16.077 -3.899 -17.241) 23.893 8.761 ( -17.045 -4.077 13.406) 22.065 9.228 ( -8.464 4.498 -17.865) 20.274 9.303 ( 9.782 6.196 7.403) 13.743 9.527 ( 22.311 2.340 2.018) 22.524 10.036 ( 0.747 -0.747 -6.892) 6.973 10.229 ( -8.033 -7.442 -2.115) 11.153 10.325 ( -1.857 1.097 -2.722) 3.473 10.371 ( -9.386 0.832 4.217) 10.323 10.815 ( -2.647 5.155 1.803) 6.069 11.137 ( -4.057 -5.690 -0.606) 7.015 11.385 ( -2.066 -1.804 -8.661) 9.085 11.446 ( -2.086 -0.537 3.343) 3.977 11.673 ( -1.415 -3.148 -2.906) 4.512 11.854 ( -8.616 -0.651 5.590) 10.291 15.351 ( 0.063 -0.320 0.067) 0.333 15.388 ( 0.807 5.357 -1.436) 5.605 19.437 ( 0.738 0.488 0.381) 0.963 19.775 ( -6.760 -1.799 5.103) 8.658 20.611 ( -4.157 1.342 3.436) 5.558 20.739 ( -2.552 -1.023 -2.643) 3.814 20.827 ( -2.187 7.636 2.905) 8.458 21.039 ( 1.337 7.511 -6.589) 10.081 23.146 ( 16.886 -7.374 3.279) 18.715 23.663 ( 18.849 -6.409 -2.843) 20.111 24.326 ( -2.734 -2.421 10.309) 10.937 24.484 ( -2.475 2.250 -3.590) 4.907 26.764 ( -1.185 0.139 -2.517) 2.786 27.098 ( -8.623 -9.522 -6.935) 14.598 ======================= Grid point 95 (35/95) ======================= q-point: ( 0.11 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( 6.578 0.000 8.807) 10.993 1.241 ( 17.713 0.000 13.646) 22.360 1.679 ( -4.867 -0.000 -13.660) 14.502 1.955 ( 23.811 0.000 22.966) 33.082 2.046 ( 10.405 0.000 -14.522) 17.865 2.374 ( 1.009 0.000 -5.680) 5.769 2.403 ( 18.425 0.000 4.747) 19.027 2.819 ( 4.008 0.000 -8.752) 9.626 2.931 ( 3.309 0.000 11.930) 12.380 3.017 ( 0.441 0.000 2.729) 2.765 3.143 ( -7.087 -0.000 3.858) 8.069 3.145 ( 2.396 0.000 3.977) 4.642 3.260 ( -0.231 -0.000 -11.966) 11.968 3.354 ( -6.113 -0.000 1.559) 6.308 3.472 ( 4.600 0.000 -5.853) 7.444 3.736 ( -16.310 -0.000 -0.827) 16.331 3.929 ( -1.423 -0.000 -4.271) 4.502 3.959 ( -3.258 -0.000 4.520) 5.572 4.056 ( 2.939 0.000 -9.670) 10.107 4.103 ( -5.754 -0.000 0.776) 5.806 4.384 ( -3.780 -0.000 -5.582) 6.741 4.438 ( -4.835 -0.000 1.964) 5.219 4.504 ( 5.731 0.000 0.789) 5.785 4.548 ( -5.834 -0.000 -1.596) 6.048 4.921 ( -5.115 -0.000 -2.818) 5.840 5.006 ( 0.191 0.000 6.321) 6.324 5.117 ( -7.094 -0.000 1.613) 7.276 5.159 ( 5.593 0.000 -8.293) 10.003 5.365 ( -2.246 -0.000 11.794) 12.006 5.422 ( 3.240 0.000 2.632) 4.175 5.527 ( 1.648 0.000 -4.363) 4.664 5.624 ( -4.033 -0.000 -6.192) 7.390 5.944 ( 3.755 0.000 -0.149) 3.758 5.963 ( 4.845 0.000 -7.556) 8.976 6.153 ( 11.468 0.000 0.621) 11.484 6.413 ( 0.129 0.000 5.328) 5.329 6.875 ( 1.229 0.000 10.939) 11.007 6.989 ( -5.116 -0.000 -3.003) 5.933 7.642 ( 11.534 0.000 11.626) 16.376 7.663 ( 0.122 0.000 0.329) 0.351 7.893 ( 4.429 0.000 4.205) 6.107 7.934 ( 14.968 0.000 -13.037) 19.850 8.455 ( 7.630 0.000 -10.411) 12.907 8.651 ( -1.705 -0.000 10.372) 10.512 8.802 ( -11.697 -0.000 0.643) 11.715 8.899 ( -20.275 -0.000 5.125) 20.913 9.121 ( -5.863 -0.000 1.810) 6.136 9.449 ( -5.182 -0.000 -6.860) 8.597 10.279 ( -10.312 -0.000 4.206) 11.137 10.393 ( 16.070 0.000 -13.394) 20.920 10.421 ( 12.622 0.000 -11.466) 17.052 10.436 ( -3.061 -0.000 4.246) 5.234 10.780 ( -6.323 -0.000 3.164) 7.070 11.117 ( -3.875 -0.000 -3.623) 5.305 11.221 ( 11.980 0.000 14.299) 18.654 11.618 ( 4.818 0.000 -0.608) 4.857 11.683 ( 6.645 0.000 -7.436) 9.973 12.142 ( 8.296 0.000 1.876) 8.505 15.295 ( -0.659 -0.000 0.520) 0.840 15.430 ( 1.521 0.000 -0.151) 1.529 19.551 ( -0.342 -0.000 -6.854) 6.862 19.990 ( -2.844 -0.000 8.859) 9.305 20.536 ( 1.787 0.000 -1.170) 2.136 20.744 ( 0.470 0.000 -2.151) 2.202 21.084 ( 4.994 0.000 -3.389) 6.036 21.421 ( 3.289 0.000 -2.226) 3.971 22.441 ( -14.627 -0.000 -0.021) 14.627 23.002 ( -18.081 -0.000 8.867) 20.138 24.318 ( 5.420 0.000 4.634) 7.131 24.622 ( 4.510 0.000 -1.076) 4.637 26.941 ( 1.896 0.000 4.486) 4.870 26.953 ( 8.314 0.000 -7.445) 11.161 ======================= Grid point 96 (36/95) ======================= q-point: ( 0.22 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( -2.566 -11.463 -5.202) 12.847 1.538 ( 12.588 -1.292 5.339) 13.735 1.782 ( 13.704 0.205 3.191) 14.072 2.056 ( -0.505 -3.992 -8.894) 9.762 2.406 ( 8.700 -6.062 22.023) 24.442 2.519 ( 11.643 5.666 -12.978) 18.333 2.535 ( 0.875 -2.070 4.898) 5.389 2.776 ( -5.645 -1.516 -3.608) 6.869 2.957 ( -2.525 2.839 -2.065) 4.324 2.999 ( -4.405 0.788 -3.606) 5.748 3.056 ( 1.377 0.709 -0.620) 1.668 3.187 ( -3.379 -1.766 2.655) 4.645 3.297 ( 4.630 1.856 5.964) 7.775 3.422 ( 7.592 -7.728 4.796) 11.848 3.479 ( -4.977 0.269 1.501) 5.205 3.615 ( 5.233 -4.077 -3.934) 7.712 3.823 ( -8.436 3.490 -1.718) 9.290 3.880 ( -8.058 -1.273 -0.942) 8.212 3.993 ( -2.930 -2.402 1.938) 4.255 4.115 ( 4.750 1.448 -11.102) 12.162 4.327 ( 2.202 3.483 -3.271) 5.261 4.363 ( -1.694 3.856 -0.307) 4.223 4.455 ( -0.873 4.279 -1.077) 4.498 4.662 ( 9.941 -1.693 1.523) 10.199 4.809 ( -4.681 3.127 -4.040) 6.929 4.945 ( -5.531 4.184 3.332) 7.694 5.013 ( -3.317 -0.610 -0.593) 3.425 5.219 ( 2.105 3.329 -2.723) 4.788 5.358 ( -0.558 -5.645 4.996) 7.559 5.479 ( 1.650 -1.484 1.768) 2.837 5.543 ( -3.165 0.916 -4.554) 5.621 5.602 ( 5.821 -1.003 -1.382) 6.067 6.026 ( 5.748 2.299 1.042) 6.278 6.113 ( 7.325 -3.070 -3.981) 8.884 6.353 ( -0.575 0.202 4.417) 4.458 6.378 ( 5.184 -2.167 1.561) 5.832 6.877 ( 2.969 3.778 3.730) 6.083 6.988 ( 1.009 -3.458 -2.532) 4.403 7.643 ( -2.204 -0.863 0.859) 2.518 7.768 ( 1.274 1.840 1.274) 2.575 8.053 ( 11.076 -0.518 1.773) 11.228 8.148 ( 7.762 2.213 -7.277) 10.867 8.309 ( -11.177 3.644 4.780) 12.691 8.414 ( -21.204 2.355 5.094) 21.934 8.698 ( 2.536 2.212 -0.154) 3.369 8.763 ( 0.918 -2.067 -1.497) 2.713 9.199 ( -8.109 0.886 -0.298) 8.162 9.303 ( 2.860 -6.742 2.585) 7.767 10.017 ( -13.741 2.691 -4.378) 14.670 10.341 ( -4.530 3.910 6.439) 8.790 10.589 ( 0.846 -3.715 -2.093) 4.347 10.621 ( 13.662 2.516 -14.909) 20.378 10.824 ( 9.518 1.788 -1.358) 9.779 11.083 ( -2.786 -6.227 2.385) 7.227 11.376 ( 4.447 0.661 15.934) 16.556 11.646 ( -0.528 1.241 -1.830) 2.273 11.863 ( 11.517 0.402 -6.345) 13.156 12.231 ( 1.551 0.950 -0.565) 1.905 15.297 ( 1.196 0.783 2.115) 2.553 15.448 ( -0.245 -0.962 -1.593) 1.877 19.553 ( 0.431 -1.143 -7.349) 7.450 19.922 ( -2.632 3.657 11.111) 11.989 20.596 ( 4.461 0.674 -4.732) 6.538 20.765 ( -0.197 -4.701 -1.270) 4.874 21.187 ( 7.814 5.719 -0.247) 9.686 21.472 ( 1.356 -6.428 7.272) 9.801 22.240 ( -8.443 0.659 -12.830) 15.373 22.666 ( -17.426 0.229 7.381) 18.926 24.406 ( 2.784 -1.180 3.183) 4.390 24.674 ( 2.037 1.498 -0.945) 2.699 26.961 ( 0.322 0.159 2.482) 2.507 27.050 ( 3.715 1.330 -3.249) 5.112 ======================= Grid point 97 (37/95) ======================= q-point: ( 0.33 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( 14.332 -9.492 1.597) 17.264 1.769 ( 10.739 -1.870 -0.589) 10.916 1.907 ( 0.808 1.844 -1.848) 2.733 2.198 ( 3.677 -3.474 3.269) 6.023 2.309 ( -5.441 4.397 5.453) 8.869 2.543 ( -0.221 6.125 -5.981) 8.564 2.613 ( -2.611 -5.417 10.600) 12.187 2.769 ( -2.304 2.959 -4.776) 6.073 2.908 ( 0.541 -0.329 -5.659) 5.694 2.920 ( -4.185 -5.889 -1.336) 7.347 3.107 ( 4.945 -5.441 -0.058) 7.353 3.175 ( 2.770 0.307 2.085) 3.480 3.339 ( 1.015 2.234 -1.391) 2.820 3.439 ( -2.174 0.628 6.701) 7.073 3.554 ( 4.188 -2.785 1.643) 5.291 3.684 ( -7.352 -1.033 0.030) 7.424 3.725 ( -3.317 -4.316 -0.414) 5.459 3.838 ( 3.610 -10.462 -2.952) 11.454 3.999 ( 2.087 0.738 5.521) 5.948 4.144 ( 1.530 3.632 -7.604) 8.564 4.248 ( -0.628 11.160 0.779) 11.205 4.374 ( 4.805 2.512 -1.041) 5.521 4.478 ( 4.597 1.434 -3.867) 6.176 4.646 ( -6.342 7.185 2.303) 9.856 4.752 ( -2.135 2.103 3.642) 4.717 4.880 ( -3.466 3.298 -3.106) 5.704 5.020 ( 9.493 -1.096 -2.907) 9.988 5.225 ( 1.320 0.792 -2.369) 2.825 5.438 ( 0.552 -7.108 1.055) 7.207 5.473 ( -2.608 0.134 -3.287) 4.198 5.523 ( 1.214 -0.127 2.429) 2.718 5.709 ( 4.398 1.680 -3.291) 5.745 6.058 ( -0.180 1.588 3.502) 3.849 6.226 ( 0.796 -2.995 -3.236) 4.481 6.328 ( -2.083 -3.086 1.112) 3.886 6.475 ( 0.809 -2.029 1.786) 2.822 6.940 ( 3.625 -1.327 3.905) 5.491 7.066 ( 5.292 -0.417 -5.171) 7.410 7.540 ( -6.639 2.871 2.247) 7.574 7.668 ( -10.813 -1.762 -0.065) 10.956 8.045 ( -5.976 -0.419 -3.707) 7.045 8.101 ( -4.808 2.683 4.436) 7.071 8.253 ( 5.089 4.149 -1.504) 6.736 8.431 ( 17.644 -0.268 3.915) 18.075 8.688 ( 2.030 2.955 5.984) 6.976 8.759 ( -7.451 1.320 -1.418) 7.698 8.892 ( -17.166 -5.055 2.901) 18.128 9.506 ( 6.865 0.188 -9.333) 11.587 9.804 ( -4.027 2.063 -4.279) 6.227 10.225 ( -4.325 2.927 7.315) 8.988 10.617 ( -1.233 -4.646 3.740) 6.090 10.828 ( 11.628 4.352 -12.107) 17.341 10.905 ( 2.191 1.016 -2.671) 3.601 11.159 ( 1.164 -8.356 2.746) 8.873 11.426 ( 1.811 3.423 13.403) 13.951 11.583 ( -5.172 -0.589 -2.853) 5.937 12.036 ( 7.454 0.984 -1.861) 7.745 12.183 ( -5.875 -0.578 -2.944) 6.596 15.324 ( 2.663 2.000 3.309) 4.695 15.440 ( -1.558 -1.723 -2.756) 3.604 19.568 ( -0.175 -2.193 -6.648) 7.002 19.855 ( -1.587 3.414 9.903) 10.595 20.663 ( 4.342 1.361 -5.041) 6.791 20.828 ( 1.590 -4.928 -2.084) 5.582 21.215 ( 3.326 8.541 4.764) 10.330 21.643 ( 4.949 -10.225 6.453) 13.064 22.070 ( -4.235 6.089 -10.629) 12.961 22.421 ( -9.408 -2.198 2.205) 9.910 24.446 ( -0.261 -1.795 1.714) 2.496 24.672 ( -0.059 1.765 -0.480) 1.830 26.958 ( -0.921 -0.490 0.587) 1.197 27.070 ( 0.416 1.363 -0.608) 1.549 ======================= Grid point 98 (38/95) ======================= q-point: (-0.56 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( 9.260 3.032 3.417) 10.326 1.903 ( 1.681 3.703 1.078) 4.207 1.972 ( 5.579 -5.053 -0.672) 7.558 2.015 ( -3.993 3.061 0.836) 5.100 2.397 ( -0.470 1.505 -2.181) 2.691 2.405 ( -3.300 4.713 -0.878) 5.820 2.608 ( 3.622 0.423 -3.191) 4.845 2.738 ( 1.804 -0.443 4.635) 4.993 2.912 ( 0.485 -2.621 -0.765) 2.773 2.970 ( 4.547 -2.450 -2.752) 5.852 3.261 ( -0.338 2.209 -0.806) 2.376 3.271 ( -0.673 -3.092 3.309) 4.578 3.307 ( 5.297 -3.820 -1.564) 6.715 3.459 ( -2.311 -4.438 3.864) 6.322 3.564 ( -0.192 -5.034 1.678) 5.310 3.667 ( 1.452 -5.293 -4.209) 6.916 3.708 ( -1.667 1.190 4.974) 5.380 3.884 ( -0.502 4.050 2.369) 4.719 4.062 ( 0.782 4.032 -1.569) 4.396 4.157 ( 5.700 0.433 3.359) 6.630 4.187 ( 1.014 4.132 -3.569) 5.553 4.351 ( -4.079 6.271 2.446) 7.870 4.505 ( 3.853 5.629 -4.866) 8.379 4.560 ( 2.116 3.250 1.738) 4.250 4.703 ( -1.855 -0.070 2.949) 3.485 4.754 ( -4.160 2.357 -3.553) 5.957 5.142 ( -0.562 0.804 -0.824) 1.281 5.232 ( 0.451 -0.924 -2.800) 2.983 5.436 ( -0.218 -0.515 -2.628) 2.687 5.514 ( -0.649 -5.408 0.099) 5.448 5.532 ( 0.112 0.678 -0.975) 1.193 5.668 ( -4.775 3.161 -4.459) 7.258 6.019 ( -3.599 -0.656 2.822) 4.620 6.205 ( -5.002 -4.928 -0.642) 7.051 6.342 ( -1.378 -5.178 -1.556) 5.580 6.469 ( -3.743 -3.975 1.064) 5.563 6.932 ( -6.213 1.344 1.389) 6.507 7.089 ( -4.515 -1.212 0.443) 4.696 7.470 ( -4.886 1.074 0.124) 5.004 7.638 ( 17.909 -0.304 -2.097) 18.034 7.942 ( -9.167 1.045 2.137) 9.470 8.033 ( -7.217 -3.831 2.706) 8.607 8.253 ( -1.308 1.733 -1.745) 2.785 8.542 ( -4.763 -2.610 4.838) 7.273 8.659 ( -4.699 0.449 8.536) 9.754 8.707 ( -1.280 -0.115 -1.315) 1.839 8.909 ( 23.705 1.482 -2.740) 23.909 9.544 ( 3.085 4.559 -11.391) 12.652 9.776 ( 0.218 0.420 -1.347) 1.428 10.150 ( -1.896 2.075 4.399) 5.220 10.636 ( -3.755 -6.452 2.068) 7.747 10.826 ( -3.466 2.072 3.931) 5.635 11.031 ( 9.409 2.657 -11.235) 14.894 11.216 ( -4.211 -5.859 4.014) 8.256 11.396 ( -0.286 5.932 7.855) 9.847 11.486 ( -6.129 -2.734 -3.214) 7.441 12.028 ( -9.716 -3.204 -4.123) 11.030 12.123 ( -0.087 -0.807 1.836) 2.007 15.341 ( 0.374 1.396 0.938) 1.723 15.439 ( 0.887 -0.476 -0.638) 1.192 19.566 ( -1.380 -0.983 -4.130) 4.464 19.818 ( -1.207 0.431 6.416) 6.543 20.715 ( 2.426 0.455 -2.929) 3.830 20.906 ( 3.354 -1.474 -4.793) 6.033 21.181 ( 1.849 7.780 4.720) 9.285 21.676 ( -6.148 4.572 6.316) 9.930 22.085 ( 8.602 -2.570 -6.400) 11.026 22.394 ( 3.409 -4.927 0.041) 5.992 24.441 ( -2.346 -2.378 0.801) 3.435 24.644 ( -1.348 0.884 -0.242) 1.631 26.936 ( -2.488 -1.171 -0.291) 2.765 27.048 ( -1.690 0.215 0.454) 1.763 ======================= Grid point 99 (39/95) ======================= q-point: (-0.44 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( -6.247 10.176 -8.484) 14.648 1.790 ( -4.511 8.626 7.086) 12.040 1.996 ( 6.709 0.550 -2.319) 7.120 2.164 ( -1.743 12.307 0.943) 12.465 2.300 ( 13.934 -3.751 2.813) 14.702 2.480 ( -1.265 -0.685 -3.622) 3.897 2.672 ( 4.485 2.413 0.946) 5.180 2.815 ( -3.505 -5.813 -1.889) 7.046 2.923 ( 3.213 -2.206 0.560) 3.938 3.074 ( 1.744 5.450 -1.359) 5.881 3.204 ( 6.123 -1.556 -2.994) 6.991 3.266 ( -1.622 1.847 -1.872) 3.089 3.343 ( -1.694 0.230 7.278) 7.476 3.583 ( 2.406 -8.368 1.237) 8.795 3.625 ( -2.226 5.562 9.844) 11.524 3.655 ( -0.729 1.128 1.507) 2.018 3.737 ( -0.574 -7.184 1.207) 7.307 3.817 ( 0.957 2.756 0.456) 2.953 4.040 ( -0.424 3.778 -0.651) 3.857 4.130 ( 1.672 11.180 -8.893) 14.383 4.193 ( -2.549 0.147 -1.748) 3.094 4.212 ( -3.046 0.564 5.406) 6.230 4.446 ( -1.795 7.896 -5.214) 9.631 4.533 ( -0.608 2.291 0.108) 2.372 4.736 ( 5.246 -3.742 -1.189) 6.553 4.789 ( 2.537 -6.222 0.019) 6.720 5.043 ( -5.787 0.790 2.525) 6.363 5.218 ( -2.024 0.605 -3.245) 3.872 5.419 ( -6.234 2.995 -2.978) 7.530 5.470 ( 1.449 -2.367 -2.308) 3.610 5.523 ( -3.532 -2.364 4.621) 6.278 5.649 ( 3.833 -1.773 -3.023) 5.194 5.951 ( -3.808 0.017 -2.020) 4.311 6.182 ( -3.160 -6.100 -1.090) 6.956 6.326 ( -5.163 -1.383 -2.447) 5.878 6.465 ( -2.327 -6.658 4.817) 8.541 6.791 ( -6.324 2.638 -0.609) 6.879 6.941 ( -9.754 -3.490 -0.192) 10.361 7.477 ( -1.438 -2.139 0.428) 2.613 7.673 ( -18.433 -4.021 3.749) 19.236 7.810 ( -6.329 -2.867 1.836) 7.186 8.085 ( 10.907 -1.142 1.218) 11.034 8.230 ( 5.585 -0.700 -4.831) 7.417 8.497 ( -5.494 -0.479 -2.480) 6.046 8.601 ( -0.232 -0.152 2.689) 2.703 8.832 ( 13.676 -0.315 8.944) 16.344 9.343 ( 21.840 2.078 -3.924) 22.287 9.510 ( -0.148 5.685 0.438) 5.704 9.823 ( 3.691 -3.772 -2.171) 5.706 10.109 ( 0.273 2.641 -3.713) 4.564 10.589 ( -7.498 -4.736 -0.769) 8.902 10.691 ( -7.407 5.909 0.928) 9.521 11.049 ( -9.387 -2.417 7.607) 12.322 11.182 ( 0.727 0.104 -2.048) 2.175 11.362 ( -0.586 -0.042 3.338) 3.390 11.423 ( -2.738 -2.079 -6.669) 7.503 11.868 ( -11.418 -5.331 -4.951) 13.539 12.081 ( -6.136 -1.593 5.087) 8.128 15.322 ( -1.671 -1.114 -1.308) 2.397 15.472 ( 3.439 2.776 1.190) 4.577 19.533 ( -1.755 0.872 -1.161) 2.278 19.803 ( -2.639 -3.030 2.522) 4.744 20.731 ( -0.162 0.463 -0.255) 0.553 20.948 ( 1.250 2.248 -4.829) 5.472 21.148 ( 3.085 8.602 2.825) 9.565 21.484 ( -5.486 9.316 0.359) 10.817 22.283 ( 10.208 -3.100 1.291) 10.746 22.646 ( 14.414 -9.275 -0.908) 17.165 24.413 ( -3.497 -2.560 0.917) 4.430 24.607 ( -2.195 -0.089 -0.658) 2.293 26.888 ( -3.942 -1.291 -0.717) 4.210 27.012 ( -3.006 -1.833 0.808) 3.612 ======================= Grid point 100 (40/95) ======================= q-point: (-0.33 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( -4.474 14.109 -5.623) 15.834 1.526 ( -12.215 13.983 10.341) 21.253 2.031 ( -4.922 12.303 -4.131) 13.880 2.164 ( 10.184 2.189 5.010) 11.559 2.318 ( -6.632 9.357 -12.310) 16.825 2.521 ( 8.264 0.734 -1.651) 8.459 2.710 ( 1.074 5.221 4.012) 6.672 2.812 ( -1.322 -2.182 0.404) 2.583 2.926 ( -5.584 2.227 6.109) 8.571 3.086 ( -11.100 10.273 2.204) 15.283 3.116 ( 1.133 2.138 -3.448) 4.213 3.248 ( 0.031 -0.513 3.780) 3.814 3.306 ( -1.869 -0.426 6.689) 6.958 3.470 ( -2.852 9.929 7.094) 12.532 3.599 ( 6.064 -3.920 -3.487) 8.018 3.671 ( 0.477 2.945 -5.773) 6.499 3.865 ( 4.706 -5.942 1.350) 7.699 3.897 ( 3.829 -0.329 -0.988) 3.968 3.965 ( -0.663 -3.301 -2.444) 4.161 4.076 ( 4.599 7.707 -9.051) 12.746 4.171 ( -0.673 -2.070 -2.875) 3.606 4.264 ( 2.988 -5.629 3.017) 7.051 4.357 ( -0.207 2.379 -1.443) 2.790 4.572 ( 1.986 -2.576 -3.030) 4.445 4.802 ( -3.204 -6.034 1.866) 7.082 4.922 ( 4.573 -4.889 3.075) 7.367 5.015 ( 3.948 -0.577 -4.525) 6.033 5.193 ( 0.735 0.092 0.301) 0.800 5.304 ( -3.632 1.216 2.938) 4.828 5.454 ( -4.428 -1.585 2.809) 5.479 5.532 ( 1.464 -1.405 2.094) 2.916 5.741 ( 2.065 -1.955 -4.798) 5.577 5.905 ( 0.259 0.190 -3.255) 3.271 6.170 ( -4.129 0.400 -1.363) 4.367 6.222 ( -3.015 -3.915 -7.534) 9.010 6.490 ( -3.320 -5.412 8.846) 10.889 6.591 ( -12.409 3.547 1.975) 13.056 6.859 ( -7.081 -5.533 1.149) 9.060 7.365 ( -12.202 -5.243 10.100) 16.685 7.445 ( -6.939 -5.300 -3.929) 9.574 7.810 ( 1.371 -1.987 -3.181) 3.994 8.154 ( -1.045 -7.521 -1.434) 7.728 8.366 ( 0.569 2.385 -9.274) 9.593 8.454 ( 0.423 0.776 2.897) 3.029 8.651 ( 5.352 -4.000 6.911) 9.613 9.167 ( 19.852 0.692 8.495) 21.604 9.406 ( 0.267 7.050 0.864) 7.107 9.611 ( 4.310 3.708 -4.891) 7.499 9.940 ( 3.850 -3.806 -1.398) 5.592 10.133 ( 5.667 2.150 -8.991) 10.843 10.437 ( -7.496 5.387 1.840) 9.413 10.505 ( -9.166 -2.114 1.268) 9.491 10.916 ( -7.994 -8.198 8.844) 14.468 11.142 ( -2.985 4.972 -1.736) 6.053 11.359 ( -3.289 -5.097 -2.858) 6.705 11.410 ( 0.314 -0.456 -3.078) 3.128 11.710 ( -9.683 -3.671 -5.425) 11.690 11.948 ( -11.024 -3.689 6.630) 13.383 15.312 ( -0.829 -2.050 -0.731) 2.329 15.503 ( 3.726 4.696 -0.302) 6.002 19.490 ( -1.610 1.363 -0.067) 2.111 19.773 ( -4.954 -4.434 1.016) 6.726 20.705 ( -1.276 1.507 1.409) 2.426 20.889 ( -2.770 5.185 -2.466) 6.375 21.114 ( 1.387 9.032 4.428) 10.154 21.318 ( -0.897 10.418 -6.577) 12.353 22.564 ( 14.988 -6.525 3.936) 16.814 23.046 ( 16.978 -10.996 -0.871) 20.246 24.361 ( -4.635 -1.734 2.615) 5.598 24.564 ( -2.460 -0.250 -1.841) 3.083 26.820 ( -3.987 -0.569 -1.530) 4.309 26.975 ( -4.873 -4.695 1.184) 6.869 ======================= Grid point 101 (41/95) ======================= q-point: (-0.22 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( -1.093 16.233 13.485) 21.132 1.105 ( -15.632 18.829 12.302) 27.390 1.694 ( -15.766 9.741 -7.629) 20.042 2.057 ( -8.120 18.032 -15.458) 25.100 2.152 ( -10.256 25.325 14.394) 30.882 2.386 ( 0.011 11.407 4.780) 12.368 2.615 ( 2.460 5.836 -4.042) 7.513 2.754 ( -0.305 -0.837 6.318) 6.381 2.890 ( 4.173 1.860 0.047) 4.569 3.081 ( 7.453 -2.160 -0.226) 7.763 3.105 ( -5.014 2.039 -1.819) 5.711 3.214 ( -2.089 -2.613 2.191) 3.999 3.319 ( -1.934 1.888 5.795) 6.394 3.386 ( 2.380 -1.276 -4.506) 5.254 3.617 ( -0.334 7.041 -5.989) 9.250 3.793 ( 5.951 2.311 -8.148) 10.351 3.887 ( 4.236 -1.289 -3.464) 5.622 3.955 ( 0.997 -4.260 0.614) 4.418 4.074 ( 1.938 -5.529 -3.905) 7.041 4.151 ( 6.181 -2.527 -0.220) 6.681 4.235 ( -1.474 -9.573 1.095) 9.747 4.323 ( 0.824 -2.011 -0.727) 2.291 4.432 ( 5.663 -3.146 -0.579) 6.504 4.577 ( -1.923 -0.536 0.200) 2.006 4.831 ( 0.234 -4.765 1.907) 5.138 4.987 ( -3.261 -5.788 1.942) 6.921 5.160 ( 6.544 -0.523 -4.584) 8.007 5.213 ( -0.377 -0.784 -2.968) 3.093 5.287 ( 2.750 -0.302 6.717) 7.264 5.416 ( -0.328 -2.519 2.105) 3.299 5.595 ( 5.810 0.541 3.065) 6.591 5.716 ( -4.676 -2.637 -3.773) 6.562 5.926 ( 2.283 1.965 -0.189) 3.018 6.137 ( -2.755 -1.727 -7.405) 8.088 6.230 ( -1.722 -4.415 -4.434) 6.490 6.287 ( -10.936 2.694 -1.007) 11.308 6.511 ( 1.005 -2.075 10.514) 10.764 6.694 ( -11.754 0.554 12.166) 16.926 7.309 ( -0.545 -6.788 -2.775) 7.353 7.476 ( 1.334 -5.570 -4.497) 7.282 7.837 ( 1.122 -0.374 2.107) 2.417 8.128 ( -9.504 -5.549 0.707) 11.028 8.393 ( 1.563 2.599 6.381) 7.065 8.528 ( 11.428 -6.642 -12.135) 17.944 8.669 ( -10.571 -3.922 8.485) 14.111 9.370 ( -6.687 8.749 -15.926) 19.362 9.436 ( 6.515 4.616 10.654) 13.314 9.596 ( 18.224 3.893 0.510) 18.642 10.030 ( 3.315 0.447 -4.961) 5.983 10.126 ( -10.835 -0.690 3.740) 11.483 10.298 ( -3.375 -3.420 2.108) 5.247 10.385 ( -5.457 0.370 1.542) 5.683 10.963 ( -1.534 6.790 0.803) 7.007 11.004 ( 0.948 -4.620 2.163) 5.188 11.341 ( -2.659 -3.656 -6.243) 7.708 11.429 ( 1.224 -0.334 0.739) 1.468 11.591 ( -5.728 -4.265 -4.756) 8.580 11.790 ( -10.810 -5.819 4.903) 13.219 15.330 ( 0.422 -1.677 0.599) 1.830 15.513 ( 3.122 5.806 -4.467) 7.963 19.455 ( 0.014 1.226 1.351) 1.824 19.713 ( -5.908 -3.946 1.219) 7.208 20.664 ( -0.624 3.707 1.997) 4.257 20.768 ( -3.911 4.077 -1.674) 5.892 21.002 ( -3.750 8.978 7.299) 12.163 21.245 ( 4.653 10.938 -10.757) 16.031 22.950 ( 15.873 -10.217 5.324) 19.613 23.455 ( 12.985 -13.131 -2.418) 18.625 24.286 ( -5.009 -1.245 5.665) 7.664 24.519 ( -1.947 0.723 -3.242) 3.851 26.768 ( -1.001 0.192 -2.452) 2.655 26.905 ( -10.345 -7.358 1.583) 12.793 ======================= Grid point 102 (42/95) ======================= q-point: (-0.11 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.721 ( 1.186 19.041 16.529) 25.242 0.876 ( 5.457 17.772 24.290) 30.588 1.426 ( 1.942 9.041 -5.630) 10.826 1.520 ( -4.479 35.147 23.484) 42.508 1.908 ( 2.672 14.691 -22.918) 27.353 2.337 ( -5.203 3.322 6.217) 8.761 2.602 ( -1.041 3.160 -2.404) 4.104 2.761 ( 2.255 3.134 6.800) 7.820 2.881 ( -1.393 4.484 -12.190) 13.063 3.045 ( 0.714 -3.596 5.148) 6.320 3.154 ( -4.611 -0.331 6.742) 8.175 3.230 ( 1.870 -1.765 4.576) 5.249 3.311 ( 0.340 -1.940 -0.847) 2.144 3.412 ( -1.354 -2.443 -7.539) 8.040 3.517 ( 0.064 7.082 -9.070) 11.507 3.847 ( 4.588 -0.843 -11.505) 12.415 3.983 ( -0.455 -4.762 -0.962) 4.880 4.046 ( 3.170 -0.835 3.413) 4.733 4.134 ( 1.763 -1.454 -4.916) 5.421 4.210 ( -5.173 -2.690 2.432) 6.318 4.292 ( -1.715 -9.330 1.094) 9.549 4.380 ( 1.743 -5.355 -2.730) 6.259 4.542 ( -0.138 -0.650 1.545) 1.682 4.556 ( 1.168 -3.123 0.146) 3.338 4.896 ( 2.813 -1.817 5.547) 6.479 4.966 ( -3.174 -4.579 0.592) 5.602 5.129 ( -3.018 -0.260 -1.765) 3.506 5.264 ( 3.295 2.930 -1.603) 4.692 5.328 ( -1.746 -1.983 3.079) 4.058 5.466 ( 2.138 1.941 1.486) 3.248 5.648 ( -2.125 -1.680 -1.696) 3.197 5.749 ( 4.391 0.556 1.095) 4.560 5.891 ( -10.560 2.571 4.708) 11.844 6.003 ( -0.389 1.070 -1.438) 1.834 6.200 ( -5.429 -6.515 -6.067) 10.427 6.251 ( 1.338 -1.626 -6.168) 6.518 6.516 ( 2.761 -3.058 9.810) 10.640 6.782 ( 18.961 0.633 8.083) 20.621 7.358 ( -3.506 -4.786 -8.351) 10.244 7.537 ( 2.891 -1.519 -7.737) 8.398 7.894 ( 3.450 -0.077 3.466) 4.891 7.966 ( -13.712 -4.808 7.974) 16.575 8.328 ( -6.703 1.580 3.435) 7.696 8.586 ( 1.913 2.448 3.185) 4.449 8.836 ( 12.964 -5.650 -7.702) 16.103 9.055 ( -6.373 0.198 -15.357) 16.628 9.662 ( 14.928 2.335 10.915) 18.640 9.774 ( -6.951 -0.168 4.215) 8.131 9.842 ( -10.520 2.917 6.767) 12.844 10.052 ( -2.721 -2.815 1.246) 4.109 10.274 ( 4.672 9.243 -4.395) 11.251 10.372 ( 7.039 0.631 -2.569) 7.520 10.813 ( -2.977 0.859 7.000) 7.655 11.139 ( 1.532 -0.478 -2.551) 3.014 11.338 ( -1.806 -1.953 -2.844) 3.894 11.385 ( -1.398 1.451 -6.636) 6.935 11.650 ( 1.839 -5.416 3.039) 6.477 11.725 ( 0.951 -6.216 0.631) 6.320 15.344 ( -0.503 -0.195 1.020) 1.153 15.478 ( -0.138 6.560 -8.329) 10.603 19.560 ( 9.336 -6.563 5.466) 12.654 19.658 ( -0.203 -2.033 -0.184) 2.051 20.608 ( -0.243 4.881 3.081) 5.777 20.712 ( 1.266 0.849 -0.969) 1.806 20.859 ( -1.793 6.707 4.848) 8.468 21.228 ( 6.574 11.472 -11.839) 17.747 23.271 ( 4.744 -8.898 6.891) 12.214 23.649 ( -14.485 -12.865 -5.606) 20.168 24.221 ( -4.464 -0.225 8.260) 9.392 24.471 ( -0.790 1.165 -4.161) 4.392 26.718 ( -11.296 -2.039 3.196) 11.915 26.793 ( 3.376 -0.020 -0.867) 3.485 ======================= Grid point 105 (43/95) ======================= q-point: ( 0.22 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( 18.693 0.000 0.758) 18.709 1.733 ( 10.170 0.000 0.072) 10.170 2.024 ( 0.269 0.000 -5.165) 5.172 2.086 ( 11.965 0.000 5.141) 13.023 2.397 ( -7.019 -0.000 4.114) 8.135 2.512 ( 2.168 0.000 18.566) 18.693 2.633 ( -6.398 -0.000 -2.507) 6.872 2.766 ( 6.803 0.000 -8.497) 10.885 2.789 ( -8.256 -0.000 -4.723) 9.512 2.959 ( -0.579 -0.000 -7.671) 7.693 3.083 ( 1.130 0.000 2.732) 2.956 3.207 ( 3.622 0.000 1.680) 3.993 3.357 ( -0.740 -0.000 0.043) 0.742 3.460 ( 0.024 0.000 3.011) 3.011 3.530 ( 2.616 0.000 -0.085) 2.618 3.630 ( -2.627 -0.000 3.069) 4.040 3.678 ( -1.598 -0.000 1.418) 2.136 3.719 ( -2.265 -0.000 -7.928) 8.245 4.003 ( 3.134 0.000 7.748) 8.358 4.182 ( 2.143 0.000 -9.049) 9.299 4.365 ( -0.183 -0.000 2.206) 2.214 4.411 ( 2.395 0.000 0.154) 2.400 4.504 ( 4.948 0.000 -7.875) 9.300 4.736 ( -4.273 -0.000 8.556) 9.564 4.771 ( -0.910 -0.000 -5.009) 5.091 4.911 ( -4.875 -0.000 0.953) 4.967 5.017 ( 9.000 0.000 -4.101) 9.890 5.271 ( -0.751 -0.000 -0.085) 0.756 5.305 ( 1.559 0.000 1.129) 1.925 5.472 ( -1.091 -0.000 -2.775) 2.982 5.534 ( 0.908 0.000 1.741) 1.963 5.721 ( 5.700 0.000 -2.751) 6.329 6.095 ( -1.510 -0.000 7.532) 7.682 6.168 ( -0.597 -0.000 -8.705) 8.726 6.285 ( -3.113 -0.000 2.927) 4.273 6.453 ( -0.204 -0.000 2.954) 2.961 6.934 ( 1.957 0.000 3.390) 3.915 7.057 ( 8.121 0.000 -6.247) 10.246 7.598 ( -4.462 -0.000 1.258) 4.635 7.620 ( -11.976 -0.000 1.031) 12.021 8.028 ( -10.174 -0.000 -4.826) 11.261 8.140 ( -3.799 -0.000 3.129) 4.922 8.323 ( 3.929 0.000 -1.338) 4.151 8.411 ( 17.022 0.000 5.786) 17.978 8.721 ( 0.836 0.000 7.607) 7.652 8.794 ( -2.362 -0.000 -2.118) 3.172 8.815 ( -21.303 -0.000 2.106) 21.407 9.503 ( 10.569 0.000 -8.515) 13.572 9.835 ( -4.680 -0.000 -6.603) 8.093 10.261 ( -5.673 -0.000 11.532) 12.852 10.560 ( -1.603 -0.000 0.386) 1.649 10.880 ( 13.809 0.000 -20.046) 24.342 10.968 ( -4.955 -0.000 6.168) 7.911 11.013 ( 6.802 0.000 0.765) 6.845 11.459 ( 2.910 0.000 15.864) 16.129 11.574 ( -6.829 -0.000 -2.766) 7.368 12.048 ( 7.504 0.000 -1.717) 7.698 12.176 ( -7.705 -0.000 -4.033) 8.697 15.350 ( 3.708 0.000 3.963) 5.427 15.416 ( -2.306 -0.000 -3.373) 4.086 19.544 ( -0.046 -0.000 -7.222) 7.222 19.894 ( -2.945 -0.000 10.941) 11.331 20.720 ( 7.609 0.000 -8.458) 11.377 20.731 ( 0.074 0.000 1.273) 1.275 21.409 ( -2.378 -0.000 13.552) 13.759 21.432 ( 12.622 0.000 -2.605) 12.888 22.152 ( -1.479 -0.000 -16.181) 16.248 22.382 ( -12.864 -0.000 7.388) 14.834 24.426 ( -0.211 -0.000 1.549) 1.563 24.690 ( -0.788 -0.000 0.012) 0.789 26.953 ( -1.270 -0.000 0.511) 1.369 27.085 ( -0.243 -0.000 -0.587) 0.636 ======================= Grid point 106 (44/95) ======================= q-point: ( 0.33 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( 20.180 -2.822 5.001) 20.981 1.918 ( 8.307 0.189 -5.887) 10.184 1.989 ( 0.971 4.666 1.632) 5.038 2.067 ( -7.768 0.084 5.017) 9.248 2.425 ( 5.083 6.180 1.664) 8.173 2.545 ( -0.284 -1.336 1.996) 2.419 2.571 ( 2.858 1.326 -3.249) 4.526 2.722 ( -1.128 -1.931 0.065) 2.237 2.809 ( -1.011 -7.135 -0.527) 7.225 2.939 ( 1.159 0.294 -1.877) 2.226 3.150 ( 3.292 -2.463 2.907) 5.035 3.292 ( 6.599 2.724 1.202) 7.239 3.346 ( -3.434 2.137 -3.447) 5.314 3.393 ( -0.055 -3.659 4.405) 5.727 3.489 ( -7.569 -2.140 -5.327) 9.500 3.597 ( 0.460 -1.162 -2.483) 2.780 3.722 ( 3.975 0.719 4.301) 5.901 3.830 ( 4.146 -5.618 -3.876) 7.986 4.110 ( 6.675 1.954 7.837) 10.478 4.195 ( 2.078 0.590 -4.753) 5.221 4.315 ( -0.566 6.011 0.492) 6.057 4.441 ( -0.568 1.302 -0.072) 1.422 4.586 ( 5.069 2.862 -5.254) 7.842 4.627 ( -2.976 1.419 6.597) 7.375 4.746 ( -1.285 4.697 -0.465) 4.892 4.808 ( -4.481 0.987 -0.627) 4.631 5.164 ( 3.524 0.849 -1.082) 3.783 5.206 ( -3.934 -1.218 1.796) 4.493 5.398 ( 3.836 -4.093 -4.348) 7.097 5.441 ( -1.373 0.547 -2.652) 3.036 5.554 ( 1.247 0.724 3.321) 3.620 5.715 ( -6.979 1.382 -6.687) 9.764 6.006 ( -5.503 0.169 3.691) 6.628 6.120 ( -5.994 -3.476 -1.723) 7.140 6.232 ( -2.637 -3.896 -1.218) 4.860 6.387 ( -7.404 -3.017 2.539) 8.388 6.960 ( -1.614 1.092 0.274) 1.968 7.068 ( -8.615 -0.786 -0.347) 8.658 7.503 ( -2.354 1.196 -1.092) 2.857 7.653 ( 17.520 1.784 -2.336) 17.765 7.883 ( -11.907 -4.085 -1.690) 12.702 8.028 ( -8.865 0.952 4.903) 10.175 8.303 ( -4.871 2.294 1.332) 5.546 8.504 ( -5.639 -1.014 7.812) 9.687 8.652 ( 0.246 -0.733 8.384) 8.419 8.684 ( -3.904 -1.346 -3.531) 5.433 8.944 ( 23.176 1.349 -3.558) 23.486 9.609 ( 3.747 1.745 -13.362) 13.986 9.811 ( 0.844 1.828 -3.115) 3.709 10.193 ( -1.641 1.562 8.731) 9.020 10.527 ( -4.140 -3.455 3.118) 6.229 10.874 ( -3.342 2.539 7.226) 8.356 11.057 ( 3.468 -1.297 -10.945) 11.554 11.114 ( 3.385 -2.441 -4.330) 6.014 11.424 ( -8.463 -1.881 -5.411) 10.219 11.500 ( 0.861 3.024 15.006) 15.331 11.962 ( -14.859 -2.447 -5.920) 16.181 12.123 ( 0.747 0.355 1.989) 2.154 15.355 ( -3.120 0.161 -3.782) 4.905 15.439 ( 4.877 0.277 3.978) 6.300 19.537 ( -0.823 -1.166 -5.569) 5.749 19.844 ( -2.659 1.149 8.237) 8.731 20.737 ( 1.725 1.409 1.213) 2.536 20.864 ( 6.318 -2.015 -8.862) 11.068 21.345 ( 0.368 6.862 9.267) 11.537 21.675 ( 6.587 -3.556 0.763) 7.524 22.115 ( 3.006 5.312 -7.156) 9.405 22.281 ( -0.617 -6.213 1.083) 6.337 24.405 ( -2.477 -1.048 -0.070) 2.690 24.655 ( -2.590 0.247 0.818) 2.727 26.919 ( -2.600 -0.472 -0.801) 2.761 27.051 ( -3.061 0.074 0.991) 3.218 ======================= Grid point 107 (45/95) ======================= q-point: (-0.56 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( -1.172 8.949 -2.344) 9.325 1.942 ( -0.692 5.591 -3.560) 6.665 2.013 ( 4.869 1.370 1.557) 5.292 2.178 ( 15.999 -6.913 -0.493) 17.436 2.432 ( 1.607 11.703 0.847) 11.843 2.480 ( 3.198 4.997 1.294) 6.072 2.697 ( 1.895 -5.988 3.613) 7.246 2.732 ( 3.407 2.450 1.139) 4.348 2.919 ( 1.659 -0.329 -0.503) 1.764 3.041 ( 8.146 -10.592 -2.285) 13.556 3.179 ( -7.189 0.986 2.290) 7.609 3.263 ( 1.304 -2.657 0.584) 3.017 3.335 ( -5.198 -0.691 -1.852) 5.562 3.404 ( 3.893 -3.213 1.458) 5.254 3.528 ( 3.364 -6.510 -2.110) 7.626 3.628 ( 0.203 -3.292 -1.811) 3.763 3.756 ( 2.022 4.003 3.114) 5.459 3.894 ( -0.121 0.017 -2.440) 2.443 4.122 ( 1.169 3.939 -0.398) 4.129 4.222 ( -1.098 1.676 2.759) 3.409 4.315 ( 5.224 7.405 0.284) 9.067 4.338 ( -4.330 8.448 4.609) 10.553 4.567 ( -3.229 6.054 0.669) 6.894 4.647 ( -0.927 -0.597 0.674) 1.292 4.694 ( 4.500 1.319 -0.836) 4.764 4.713 ( -0.952 3.107 -3.921) 5.093 5.052 ( -8.022 -0.840 4.158) 9.075 5.234 ( -0.028 0.883 -2.228) 2.397 5.425 ( -0.957 -1.008 -4.204) 4.428 5.475 ( -2.905 0.051 -0.965) 3.062 5.479 ( -3.442 0.808 -3.347) 4.869 5.607 ( 0.982 -2.485 0.301) 2.689 5.927 ( -4.689 -1.795 -0.632) 5.060 6.067 ( -3.342 -4.628 -0.080) 5.708 6.246 ( -2.543 -5.585 -3.372) 7.002 6.313 ( -5.559 -7.848 3.222) 10.143 6.816 ( -9.846 0.346 -1.162) 9.920 6.906 ( -9.258 -0.303 0.247) 9.266 7.483 ( -6.784 1.849 -3.714) 7.951 7.584 ( -11.450 -3.068 1.255) 11.920 7.771 ( -12.736 -1.909 7.638) 14.973 8.071 ( 7.542 -0.612 1.732) 7.763 8.217 ( 7.267 -0.615 -5.454) 9.107 8.500 ( -3.659 0.949 -2.272) 4.410 8.587 ( -0.221 -1.291 1.165) 1.753 8.805 ( 11.465 -2.027 14.108) 18.292 9.387 ( 24.269 2.210 -7.489) 25.494 9.607 ( -0.734 3.105 0.893) 3.313 9.806 ( 2.574 1.921 -6.766) 7.490 10.170 ( 1.189 2.885 -1.679) 3.543 10.473 ( -6.986 -5.334 5.730) 10.492 10.794 ( -3.560 4.434 2.647) 6.273 10.990 ( -11.847 -3.274 5.960) 13.660 11.143 ( -4.175 -5.218 -5.287) 8.522 11.358 ( 1.192 0.565 -12.722) 12.790 11.434 ( -4.540 3.927 6.420) 8.789 11.742 ( -12.137 -7.313 -2.208) 14.341 12.072 ( -6.136 0.508 5.281) 8.111 15.297 ( -2.979 -1.123 -3.529) 4.753 15.527 ( 5.393 2.326 3.142) 6.661 19.523 ( -1.723 -1.459 -2.560) 3.414 19.787 ( -3.118 0.796 4.033) 5.159 20.753 ( 1.252 1.620 1.623) 2.613 20.965 ( 3.909 -0.130 -8.305) 9.180 21.308 ( 1.943 6.774 6.081) 9.308 21.671 ( -1.948 8.142 0.431) 8.383 22.227 ( 9.136 -1.722 -0.472) 9.309 22.460 ( 11.183 -8.997 -1.083) 14.394 24.365 ( -3.146 -1.915 -1.027) 3.824 24.601 ( -3.291 -0.412 0.907) 3.439 26.867 ( -3.401 -0.718 -1.451) 3.767 26.983 ( -4.797 -1.085 1.763) 5.225 ======================= Grid point 108 (46/95) ======================= q-point: (-0.44 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( -0.312 14.769 -4.921) 15.571 1.800 ( -5.450 12.312 4.607) 14.230 2.166 ( 7.440 2.874 -4.371) 9.095 2.371 ( 4.435 11.749 1.502) 12.648 2.460 ( 0.480 6.034 -2.087) 6.403 2.503 ( 8.682 -0.773 1.185) 8.796 2.629 ( -7.115 -6.733 -0.699) 9.821 2.800 ( 6.041 1.852 4.889) 7.989 2.931 ( -1.885 -0.431 -4.672) 5.057 3.078 ( -1.975 -0.382 -4.714) 5.125 3.251 ( -2.656 -2.458 3.630) 5.126 3.280 ( -1.046 -1.159 3.018) 3.398 3.365 ( 11.400 -7.178 0.989) 13.507 3.490 ( -3.819 0.975 5.096) 6.442 3.596 ( -0.583 -0.575 0.598) 1.014 3.680 ( 0.298 -0.114 5.047) 5.058 3.708 ( 1.212 -1.148 -3.130) 3.547 3.889 ( 3.187 0.869 -3.944) 5.144 4.050 ( -4.255 10.194 3.732) 11.660 4.154 ( -2.501 2.210 -0.080) 3.338 4.206 ( 2.023 0.433 2.891) 3.555 4.331 ( 6.009 11.711 -7.041) 14.928 4.490 ( -0.921 8.401 -3.233) 9.049 4.553 ( 0.407 2.747 -2.513) 3.745 4.695 ( -2.882 -4.076 0.310) 5.002 4.826 ( 2.889 -4.389 1.794) 5.552 4.985 ( 0.393 -2.939 -0.168) 2.970 5.195 ( -1.677 -0.292 -1.474) 2.252 5.334 ( -3.279 2.038 1.161) 4.032 5.433 ( -3.833 -0.267 4.876) 6.208 5.503 ( 2.015 -0.912 0.922) 2.396 5.688 ( 3.926 -3.451 -5.316) 7.455 5.877 ( -2.548 -2.564 -2.963) 4.674 6.078 ( -1.575 -6.043 -2.701) 6.804 6.184 ( -7.891 -2.884 -5.904) 10.269 6.340 ( -2.322 -9.140 7.998) 12.365 6.647 ( -12.078 0.771 0.698) 12.123 6.734 ( -8.090 -4.953 0.609) 9.505 7.286 ( -12.125 -1.489 5.860) 13.549 7.360 ( -9.244 -3.308 -1.612) 9.949 7.763 ( 3.187 -2.717 -5.342) 6.787 8.035 ( -4.833 -4.667 2.378) 7.127 8.391 ( -4.613 0.646 -2.881) 5.477 8.477 ( 7.482 0.871 -3.890) 8.478 8.593 ( 0.665 -2.125 5.220) 5.675 9.142 ( 18.706 -2.344 14.570) 23.826 9.549 ( 1.879 6.431 4.101) 7.856 9.681 ( 8.663 4.001 -10.410) 14.122 9.898 ( 7.864 -0.512 -7.873) 11.140 10.187 ( 3.931 2.757 -6.888) 8.397 10.387 ( -8.375 -5.333 8.475) 13.054 10.598 ( -13.080 6.067 2.519) 14.637 10.794 ( -7.209 -3.442 3.678) 8.795 11.124 ( -4.958 -8.107 0.534) 9.518 11.312 ( -4.091 0.306 -0.286) 4.113 11.382 ( 0.252 -0.508 -11.585) 11.599 11.637 ( -6.702 -4.471 -1.301) 8.161 11.901 ( -12.524 -0.221 8.307) 15.031 15.271 ( -1.055 -1.878 -1.417) 2.578 15.591 ( 4.512 3.877 0.335) 5.958 19.498 ( -2.028 -0.898 0.519) 2.278 19.719 ( -4.263 -0.556 0.071) 4.300 20.752 ( 0.987 2.816 1.286) 3.250 20.980 ( -0.059 3.655 -5.226) 6.378 21.272 ( 0.064 6.683 6.725) 9.481 21.540 ( -0.246 11.319 -4.863) 12.322 22.450 ( 11.473 -5.113 4.830) 13.457 22.814 ( 14.529 -11.636 -2.521) 18.784 24.326 ( -3.106 -1.605 -0.316) 3.510 24.548 ( -3.168 -1.167 -0.381) 3.398 26.810 ( -3.017 -0.368 -1.965) 3.619 26.902 ( -6.105 -2.655 2.328) 7.052 ======================= Grid point 109 (47/95) ======================= q-point: (-0.33 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( 0.463 17.274 5.995) 18.290 1.511 ( -7.947 20.415 8.299) 23.427 1.932 ( -14.284 13.931 -6.810) 21.082 2.279 ( -4.479 6.604 -7.514) 10.961 2.431 ( 5.293 10.127 0.463) 11.436 2.649 ( 1.874 -1.476 -4.513) 5.104 2.748 ( 10.614 -4.666 3.708) 12.173 2.822 ( -1.989 3.577 2.482) 4.787 2.919 ( -2.537 11.507 -1.015) 11.827 3.073 ( 4.184 -0.349 1.081) 4.335 3.150 ( -3.168 9.877 -0.627) 10.392 3.200 ( -2.762 2.595 5.030) 6.298 3.315 ( -0.177 1.510 6.381) 6.560 3.526 ( -3.100 8.856 7.482) 12.001 3.673 ( 5.712 -7.514 -6.111) 11.245 3.693 ( 2.154 -5.702 -0.040) 6.095 3.849 ( 1.063 -8.801 -1.399) 8.974 3.958 ( 4.113 -0.880 -3.038) 5.188 3.961 ( 1.394 4.217 0.250) 4.448 4.079 ( -4.168 1.093 -0.767) 4.376 4.208 ( 1.377 4.652 -9.625) 10.778 4.324 ( 3.226 3.136 -3.852) 5.923 4.446 ( 4.361 4.417 -0.013) 6.207 4.578 ( 0.496 0.382 -0.669) 0.916 4.712 ( 1.151 -6.251 2.472) 6.820 4.868 ( -3.722 -6.025 0.560) 7.104 5.101 ( 4.726 -5.265 -4.935) 8.626 5.175 ( -1.629 -2.748 -1.770) 3.652 5.292 ( -0.454 0.754 5.147) 5.222 5.380 ( -0.444 -0.932 9.210) 9.268 5.566 ( 3.649 -1.713 0.380) 4.049 5.728 ( -1.107 1.832 -7.334) 7.640 5.898 ( 1.183 -4.400 0.681) 4.607 6.081 ( -4.505 -3.855 -3.143) 6.711 6.109 ( -2.994 -6.281 -9.361) 11.664 6.340 ( -10.685 1.203 4.699) 11.734 6.426 ( -1.900 -5.327 7.026) 9.019 6.679 ( -5.394 -2.775 7.625) 9.744 7.107 ( -8.587 -10.014 6.357) 14.644 7.413 ( 6.887 -1.802 -14.445) 16.104 7.807 ( -0.502 -2.327 2.294) 3.306 8.002 ( -7.683 -6.589 3.946) 10.863 8.407 ( 5.928 -4.664 -3.848) 8.468 8.458 ( -1.277 3.251 2.127) 4.090 8.612 ( -4.233 -2.266 3.280) 5.815 9.465 ( 7.547 -0.580 10.321) 12.799 9.551 ( -4.935 8.730 -14.763) 17.847 9.675 ( 12.408 4.091 0.988) 13.103 10.026 ( 5.090 -0.587 -5.299) 7.371 10.186 ( -3.859 0.419 -4.387) 5.858 10.243 ( -12.435 2.361 16.495) 20.791 10.383 ( 0.867 -0.283 -1.571) 1.816 10.882 ( 9.213 -5.722 -1.589) 10.962 11.073 ( -7.365 -0.919 2.433) 7.811 11.252 ( -3.591 -3.488 -2.506) 5.599 11.420 ( 5.129 -1.084 -4.204) 6.720 11.541 ( -6.708 -0.645 -5.240) 8.536 11.662 ( -15.144 -4.975 7.804) 17.748 15.292 ( 1.123 -1.857 1.313) 2.537 15.613 ( 2.288 4.319 -4.022) 6.330 19.472 ( -1.130 -0.006 2.161) 2.438 19.648 ( -4.233 -1.825 -1.426) 4.825 20.745 ( 2.156 4.059 0.343) 4.609 20.884 ( -3.632 6.891 -2.405) 8.153 21.175 ( -3.169 8.194 9.103) 12.651 21.449 ( 2.432 9.908 -7.725) 12.796 22.758 ( 12.662 -9.428 5.356) 16.670 23.178 ( 9.998 -13.999 -3.359) 17.528 24.275 ( -3.222 0.091 2.488) 4.072 24.510 ( -2.263 -1.462 -3.062) 4.079 26.769 ( -1.427 -0.157 -1.684) 2.213 26.810 ( -6.934 -2.779 2.346) 7.830 ======================= Grid point 110 (48/95) ======================= q-point: (-0.22 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( 1.548 20.522 11.823) 23.735 1.262 ( 5.754 21.227 14.949) 26.593 1.622 ( 0.133 12.771 -9.082) 15.672 2.127 ( -0.703 11.226 -19.101) 22.167 2.337 ( -4.346 23.017 20.265) 30.973 2.480 ( -3.678 20.567 0.813) 20.909 2.674 ( 0.208 4.404 -5.567) 7.102 2.788 ( 0.866 0.071 2.801) 2.933 3.018 ( 3.075 -3.736 3.550) 6.002 3.042 ( -1.647 9.324 -5.929) 11.172 3.132 ( -4.243 0.176 9.196) 10.129 3.231 ( 5.551 -1.784 -0.259) 5.837 3.241 ( -4.578 0.005 -1.497) 4.817 3.424 ( 0.488 5.757 0.862) 5.842 3.702 ( 1.890 8.193 -6.644) 10.717 3.816 ( -1.748 -3.011 -6.169) 7.084 3.857 ( 1.654 -9.817 -1.830) 10.122 4.018 ( 3.351 -1.656 -2.719) 4.622 4.024 ( -4.199 -8.755 1.832) 9.881 4.068 ( 1.044 -5.178 1.919) 5.620 4.229 ( 2.201 3.418 -5.871) 7.141 4.295 ( -1.894 -2.100 -4.690) 5.477 4.516 ( 2.501 -0.145 1.589) 2.966 4.563 ( -1.730 1.376 -0.219) 2.221 4.821 ( 3.258 -6.344 2.471) 7.548 4.856 ( -2.346 -5.353 0.382) 5.857 5.096 ( -3.797 -2.943 -1.121) 4.933 5.258 ( 1.584 -2.078 5.712) 6.281 5.293 ( -0.359 -2.884 -4.172) 5.085 5.464 ( 4.143 -1.884 3.107) 5.510 5.592 ( -5.303 -2.679 -3.397) 6.844 5.764 ( 8.352 0.366 0.494) 8.375 5.929 ( -1.467 1.135 6.162) 6.435 6.036 ( -2.794 0.498 -6.119) 6.745 6.069 ( -5.375 -5.724 -3.591) 8.634 6.214 ( 0.159 -1.708 -4.299) 4.629 6.462 ( -2.167 -3.522 11.814) 12.517 6.758 ( 14.175 -2.314 9.161) 17.035 7.133 ( -5.347 -14.834 -4.049) 16.280 7.535 ( 5.843 0.108 -13.473) 14.686 7.800 ( -8.092 -7.661 11.717) 16.170 7.917 ( -1.626 -0.539 4.477) 4.793 8.349 ( -5.881 0.540 -0.359) 5.917 8.606 ( 4.458 0.648 1.994) 4.927 8.694 ( 13.489 -7.214 -0.667) 15.312 9.128 ( -18.039 4.973 -17.607) 25.694 9.691 ( 5.970 0.108 10.889) 12.419 9.796 ( -1.175 3.333 4.218) 5.503 9.960 ( -6.027 4.802 5.659) 9.561 10.034 ( -2.222 2.540 -1.808) 3.829 10.292 ( 8.297 -2.879 0.326) 8.788 10.489 ( 13.521 5.544 -8.513) 16.912 10.859 ( -12.030 4.382 8.587) 15.416 11.102 ( 4.658 -3.588 1.106) 5.983 11.263 ( -0.004 -5.280 -0.926) 5.361 11.403 ( -5.981 -1.749 -7.279) 9.582 11.518 ( -6.991 -9.608 0.987) 11.923 11.602 ( 11.476 -1.342 -0.233) 11.556 15.335 ( 1.316 -0.639 2.852) 3.206 15.573 ( -1.936 3.605 -8.062) 9.041 19.485 ( 2.088 -1.767 3.768) 4.656 19.616 ( -0.281 -1.854 -1.665) 2.508 20.741 ( -0.588 8.057 -0.363) 8.087 20.760 ( 1.658 3.302 -0.614) 3.746 21.024 ( -3.584 9.584 7.973) 12.972 21.409 ( 3.311 7.830 -7.207) 11.145 23.056 ( 4.920 -12.467 5.512) 14.492 23.381 ( -5.700 -13.604 -4.639) 15.462 24.234 ( 0.078 1.353 5.342) 5.511 24.479 ( -1.789 -0.564 -5.000) 5.340 26.694 ( -4.775 -0.665 2.935) 5.644 26.792 ( 2.603 -0.057 -1.277) 2.900 ======================= Grid point 111 (49/95) ======================= q-point: (-0.11 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( 14.841 15.421 9.557) 23.439 1.276 ( 13.994 19.859 15.861) 29.013 1.707 ( 14.386 5.978 -12.643) 20.064 1.904 ( -0.370 22.455 5.031) 23.015 2.138 ( 8.778 16.320 -3.657) 18.889 2.305 ( 2.122 13.044 4.481) 13.955 2.541 ( -7.803 5.867 -0.459) 9.773 2.829 ( 0.085 -3.485 5.856) 6.815 2.931 ( 2.874 10.894 -6.372) 12.944 3.003 ( -4.203 1.020 5.645) 7.111 3.041 ( -3.122 -2.929 -1.832) 4.657 3.237 ( -2.178 -7.575 -0.536) 7.900 3.289 ( -1.509 -0.192 2.501) 2.928 3.418 ( 4.149 5.602 -1.304) 7.092 3.616 ( 2.285 9.291 -7.310) 12.041 3.853 ( -0.464 -3.201 -3.584) 4.828 3.933 ( -2.574 -4.133 -1.463) 5.084 4.008 ( -7.157 -0.256 -5.067) 8.773 4.072 ( -3.102 -0.808 0.628) 3.266 4.101 ( 0.389 -11.470 -1.147) 11.534 4.170 ( -3.026 -3.904 -1.565) 5.181 4.357 ( 2.234 -3.831 0.191) 4.439 4.488 ( -5.488 -3.522 -1.354) 6.660 4.524 ( -1.408 -0.333 1.221) 1.894 4.890 ( -0.690 -4.585 0.229) 4.642 4.957 ( 3.577 -5.227 4.028) 7.506 5.077 ( 0.286 -1.033 -5.464) 5.569 5.240 ( -6.748 0.015 1.146) 6.845 5.334 ( 4.331 -1.707 6.228) 7.775 5.480 ( -5.462 -0.933 7.516) 9.338 5.533 ( 0.752 0.783 -7.453) 7.532 5.799 ( -5.974 4.454 0.249) 7.455 5.862 ( 0.461 -0.851 -5.194) 5.284 6.012 ( 2.685 1.771 -7.230) 7.913 6.071 ( 0.875 -0.655 0.096) 1.097 6.296 ( 6.378 -1.517 5.777) 8.738 6.579 ( 6.030 -6.996 8.838) 12.783 7.087 ( 1.665 -6.446 -2.316) 7.049 7.215 ( 13.115 -8.560 5.564) 16.620 7.615 ( 3.829 -5.168 -6.595) 9.212 7.756 ( 0.689 0.471 0.509) 0.977 7.918 ( -2.392 1.414 7.984) 8.453 8.307 ( 2.511 -0.201 -3.854) 4.605 8.599 ( -2.358 1.519 1.403) 3.136 8.884 ( -5.856 -3.015 -7.675) 10.114 8.990 ( 2.774 -8.314 4.044) 9.652 9.568 ( -11.447 4.662 -1.287) 12.426 9.640 ( -10.492 6.460 -0.430) 12.329 10.006 ( 11.903 -3.839 4.954) 13.452 10.050 ( 5.488 0.425 -4.575) 7.157 10.442 ( 5.839 0.278 -0.339) 5.855 10.557 ( -3.171 9.371 4.272) 10.776 10.836 ( 11.097 -2.971 1.385) 11.571 11.035 ( -7.952 -0.214 0.485) 7.970 11.249 ( -1.629 -1.530 -3.642) 4.273 11.495 ( 6.131 0.139 -1.218) 6.252 11.544 ( 1.219 -8.544 -3.923) 9.480 11.861 ( 12.488 -4.011 3.003) 13.456 15.333 ( -1.561 1.397 0.799) 2.243 15.483 ( -2.037 2.609 -4.333) 5.452 19.548 ( 0.619 -2.050 -0.192) 2.150 19.721 ( 5.703 -7.968 1.609) 9.930 20.661 ( -1.243 5.729 2.356) 6.319 20.791 ( 4.085 3.444 -1.957) 5.690 20.927 ( 2.843 4.860 2.564) 6.187 21.406 ( 4.796 5.799 -7.499) 10.624 23.064 ( -24.731 -5.324 7.323) 26.337 23.182 ( -13.420 -3.624 -1.594) 13.991 24.269 ( 5.004 2.902 5.367) 7.891 24.487 ( 2.730 -2.112 -3.216) 4.718 26.723 ( 7.445 -1.413 -2.079) 7.858 26.863 ( 3.897 -0.873 2.047) 4.487 ======================= Grid point 115 (50/95) ======================= q-point: (-0.67 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( 5.161 0.000 4.252) 6.687 1.973 ( -2.602 -0.000 -12.074) 12.351 2.060 ( 4.960 0.000 3.035) 5.814 2.111 ( 11.694 0.000 1.720) 11.820 2.555 ( 4.540 0.000 5.477) 7.114 2.583 ( 3.716 0.000 -4.759) 6.038 2.681 ( -0.024 -0.000 5.736) 5.736 2.703 ( 10.916 0.000 -4.604) 11.847 2.860 ( 9.358 0.000 2.673) 9.733 2.921 ( -2.427 -0.000 3.230) 4.041 3.167 ( -3.232 -0.000 6.869) 7.592 3.255 ( -3.597 -0.000 -2.054) 4.142 3.302 ( -6.713 -0.000 -5.440) 8.640 3.413 ( 0.224 0.000 -1.002) 1.027 3.455 ( 6.446 0.000 -3.147) 7.173 3.591 ( 1.000 0.000 -2.601) 2.786 3.815 ( 3.556 0.000 4.377) 5.639 3.863 ( 1.944 0.000 -6.178) 6.476 4.195 ( -0.250 -0.000 -2.664) 2.675 4.210 ( -0.592 -0.000 6.251) 6.279 4.394 ( -3.804 -0.000 -0.087) 3.805 4.422 ( 9.035 0.000 1.116) 9.103 4.588 ( -1.143 -0.000 7.255) 7.345 4.677 ( 2.156 0.000 -4.810) 5.271 4.736 ( -2.007 -0.000 4.354) 4.794 4.774 ( -2.358 -0.000 -3.000) 3.816 5.017 ( -9.701 -0.000 6.643) 11.758 5.241 ( 1.482 0.000 -2.749) 3.123 5.432 ( 0.676 0.000 -2.364) 2.458 5.468 ( 1.730 0.000 -10.445) 10.587 5.507 ( -7.696 -0.000 -4.831) 9.087 5.569 ( -1.357 -0.000 6.953) 7.084 5.907 ( -5.526 -0.000 1.342) 5.686 6.018 ( -3.161 -0.000 -0.253) 3.171 6.176 ( -1.982 -0.000 -5.097) 5.468 6.215 ( -7.001 -0.000 2.971) 7.605 6.820 ( -14.399 -0.000 0.055) 14.399 6.905 ( -5.496 -0.000 -1.348) 5.659 7.494 ( -18.938 -0.000 -1.333) 18.984 7.579 ( 5.139 0.000 -5.751) 7.713 7.741 ( -19.496 -0.000 11.769) 22.773 8.061 ( 7.638 0.000 1.642) 7.813 8.210 ( 5.787 0.000 -5.188) 7.772 8.522 ( 2.065 0.000 4.012) 4.513 8.564 ( -5.502 -0.000 -5.711) 7.930 8.778 ( 11.852 0.000 16.008) 19.918 9.413 ( 25.193 0.000 -8.403) 26.558 9.633 ( -1.102 -0.000 0.233) 1.127 9.842 ( 2.396 0.000 -8.855) 9.174 10.203 ( 1.016 0.000 0.463) 1.116 10.414 ( -6.510 -0.000 6.589) 9.263 10.861 ( -0.018 -0.000 8.196) 8.196 10.939 ( -10.837 -0.000 4.521) 11.742 11.061 ( -11.204 -0.000 -9.578) 14.740 11.367 ( 4.137 0.000 -15.725) 16.260 11.531 ( -1.736 -0.000 14.959) 15.059 11.617 ( -17.515 -0.000 -7.413) 19.020 12.081 ( -5.799 -0.000 5.234) 7.812 15.285 ( -3.262 -0.000 -4.152) 5.280 15.552 ( 5.893 0.000 3.666) 6.940 19.504 ( -1.657 -0.000 -3.313) 3.704 19.800 ( -3.332 -0.000 4.980) 5.992 20.775 ( 1.551 0.000 3.269) 3.619 20.960 ( 5.438 0.000 -10.605) 11.917 21.383 ( -0.039 -0.000 8.778) 8.778 21.758 ( 1.919 0.000 -1.058) 2.191 22.233 ( 5.605 0.000 -0.551) 5.632 22.336 ( 11.708 0.000 -1.888) 11.859 24.345 ( -2.963 -0.000 -1.721) 3.426 24.596 ( -3.754 -0.000 1.586) 4.075 26.860 ( -3.137 -0.000 -1.737) 3.586 26.971 ( -5.416 -0.000 2.115) 5.814 ======================= Grid point 117 (51/95) ======================= q-point: (-0.56 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( 3.816 11.575 -0.919) 12.223 1.950 ( -0.388 0.228 -4.394) 4.417 2.162 ( 9.051 -1.043 1.912) 9.309 2.329 ( 6.514 -4.916 -3.769) 8.990 2.561 ( -0.937 2.312 3.034) 3.928 2.617 ( 0.349 6.982 3.614) 7.870 2.745 ( 4.209 12.478 2.440) 13.393 2.788 ( -0.616 -1.926 4.743) 5.156 2.953 ( 1.167 1.297 -4.525) 4.849 3.029 ( -4.704 -5.233 -1.896) 7.287 3.081 ( 7.349 -10.009 2.514) 12.669 3.183 ( -4.973 -3.887 -5.294) 8.238 3.276 ( 2.734 -2.035 1.078) 3.575 3.467 ( 7.027 -0.597 5.198) 8.761 3.547 ( 2.645 -2.881 -5.164) 6.478 3.627 ( 1.480 -0.665 -1.855) 2.465 3.811 ( -2.420 4.051 -2.599) 5.387 3.888 ( 1.632 -1.364 -2.480) 3.267 4.160 ( -1.339 2.647 0.987) 3.126 4.204 ( -0.385 -0.284 3.877) 3.906 4.359 ( 0.608 6.799 3.181) 7.531 4.500 ( 1.695 10.349 2.440) 10.767 4.550 ( 0.157 -1.020 6.525) 6.606 4.669 ( 0.890 2.949 -1.249) 3.324 4.700 ( -0.987 2.067 -4.710) 5.237 4.762 ( 0.406 -2.829 0.191) 2.864 4.918 ( -3.921 -1.334 3.142) 5.199 5.175 ( -5.320 -1.345 -7.147) 9.010 5.394 ( -0.422 4.033 -1.166) 4.219 5.450 ( -3.485 0.726 5.133) 6.247 5.493 ( 0.349 -0.221 2.499) 2.533 5.614 ( 6.661 -3.406 -6.258) 9.754 5.827 ( -3.374 -1.612 -0.573) 3.783 5.982 ( -2.735 -3.148 -2.105) 4.671 6.101 ( -8.160 -3.612 -7.782) 11.841 6.175 ( -1.615 -5.572 5.608) 8.069 6.596 ( -9.233 -2.417 -1.430) 9.650 6.724 ( -14.263 0.909 3.339) 14.676 7.271 ( -2.014 -0.893 -10.308) 10.540 7.343 ( -20.495 1.311 15.951) 26.004 7.711 ( 6.070 -1.995 -9.604) 11.535 7.966 ( -8.851 -1.978 4.791) 10.257 8.404 ( -2.724 0.566 2.525) 3.757 8.496 ( 6.891 1.399 -7.116) 10.004 8.548 ( -1.115 -2.494 1.474) 3.105 9.103 ( 18.813 -1.198 17.356) 25.624 9.627 ( 3.032 1.613 7.547) 8.292 9.773 ( 12.659 3.757 -14.549) 19.648 9.902 ( 6.415 0.374 -13.283) 14.756 10.233 ( 3.037 1.747 -4.212) 5.479 10.300 ( -7.412 -2.928 10.876) 13.483 10.664 ( -17.672 0.601 6.081) 18.698 10.788 ( -7.564 2.823 -3.866) 8.951 10.941 ( -2.684 -8.146 2.349) 8.893 11.295 ( -9.305 -0.420 -2.405) 9.620 11.431 ( -0.032 3.795 -5.178) 6.420 11.529 ( -3.083 -5.631 -3.717) 7.418 11.921 ( -11.630 1.096 9.171) 14.851 15.244 ( -0.972 -0.712 -1.627) 2.025 15.646 ( 4.596 1.517 0.606) 4.878 19.471 ( -2.170 -1.071 -0.530) 2.477 19.730 ( -4.043 0.770 1.254) 4.302 20.798 ( 1.456 1.389 2.379) 3.115 21.030 ( 3.191 1.309 -8.626) 9.290 21.369 ( -0.856 2.713 7.631) 8.144 21.732 ( -0.289 6.374 -2.503) 6.854 22.366 ( 7.567 -2.789 5.497) 9.760 22.624 ( 14.402 -5.981 -4.415) 16.207 24.303 ( -1.579 -0.590 -2.338) 2.882 24.528 ( -3.923 -0.635 1.137) 4.134 26.806 ( -2.392 -0.038 -2.277) 3.302 26.866 ( -6.401 -0.953 2.874) 7.081 ======================= Grid point 118 (52/95) ======================= q-point: (-0.44 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( 1.919 16.236 3.533) 16.727 1.855 ( -2.561 12.503 5.024) 13.716 2.228 ( -12.562 14.647 -5.476) 20.058 2.367 ( -3.472 2.525 0.263) 4.301 2.453 ( 2.562 -9.505 -3.500) 10.448 2.592 ( 5.252 -4.863 4.728) 8.579 2.743 ( 3.231 10.112 -2.029) 10.808 2.834 ( -0.928 -1.784 -6.753) 7.046 2.930 ( 6.806 -2.926 3.567) 8.222 3.049 ( 2.966 -0.161 -6.756) 7.380 3.170 ( -0.843 -3.291 6.784) 7.587 3.314 ( 4.614 -3.534 0.611) 5.844 3.397 ( 2.181 -7.200 4.675) 8.858 3.521 ( -3.451 6.088 0.439) 7.012 3.617 ( 1.079 -4.226 -4.690) 6.405 3.686 ( -1.553 3.535 5.657) 6.849 3.726 ( 6.464 0.054 -0.125) 6.466 3.942 ( 3.443 -1.163 -7.167) 8.036 4.065 ( -4.903 4.830 2.627) 7.366 4.194 ( 0.441 8.101 3.200) 8.721 4.256 ( 1.607 4.943 1.258) 5.348 4.526 ( 2.573 6.632 -2.792) 7.642 4.563 ( 1.218 6.304 -2.378) 6.847 4.614 ( 4.022 0.558 0.462) 4.086 4.635 ( -2.143 6.641 -2.793) 7.516 4.762 ( -3.880 -4.226 0.673) 5.776 4.953 ( 1.246 -9.200 -0.442) 9.295 5.118 ( -3.087 -2.650 -3.323) 5.253 5.300 ( -5.876 -0.318 5.167) 7.832 5.399 ( 1.163 2.943 5.658) 6.483 5.549 ( 3.642 -0.949 -0.226) 3.770 5.741 ( -4.889 -0.579 -8.776) 10.063 5.813 ( 8.099 -2.153 -0.544) 8.398 5.963 ( -4.665 -7.716 0.404) 9.026 6.005 ( -3.951 -4.479 -8.424) 10.326 6.245 ( 0.903 -7.137 7.626) 10.484 6.414 ( -13.334 1.719 0.621) 13.459 6.571 ( -1.518 -6.783 -1.130) 7.042 6.999 ( -15.704 -1.158 17.334) 23.418 7.387 ( 10.348 -0.888 -17.378) 20.245 7.764 ( -5.439 -1.509 4.992) 7.535 7.878 ( -2.205 -5.507 -1.139) 6.040 8.347 ( -0.967 -1.318 3.223) 3.614 8.519 ( -0.260 2.501 0.739) 2.621 8.565 ( -0.194 -2.434 -0.529) 2.499 9.446 ( 12.149 -0.859 12.907) 17.746 9.693 ( -12.619 5.015 -15.015) 20.244 9.762 ( 12.899 4.232 1.238) 13.632 10.003 ( 4.995 -1.653 -10.820) 12.032 10.160 ( -7.957 -0.181 8.142) 11.386 10.325 ( 0.852 2.662 3.700) 4.637 10.391 ( -4.002 1.007 1.942) 4.561 10.756 ( 4.004 -6.665 -5.053) 9.273 10.984 ( -1.298 -4.832 2.289) 5.502 11.193 ( -4.667 -1.993 0.115) 5.076 11.372 ( -5.495 -4.933 1.746) 7.588 11.538 ( 2.917 1.348 -13.252) 13.636 11.653 ( -15.647 2.231 11.845) 19.751 15.263 ( 1.829 -1.031 2.161) 3.013 15.683 ( 1.405 2.549 -3.770) 4.763 19.451 ( -1.326 -1.551 1.736) 2.679 19.646 ( -3.663 0.974 -1.459) 4.061 20.810 ( 1.730 2.210 1.318) 3.101 21.014 ( -0.828 5.389 -6.250) 8.294 21.315 ( -1.331 5.390 9.251) 10.789 21.645 ( 0.255 9.258 -4.612) 10.347 22.572 ( 7.418 -8.710 7.004) 13.415 22.931 ( 9.629 -9.860 -5.115) 14.700 24.286 ( -0.412 0.856 -0.442) 1.048 24.473 ( -3.110 -1.903 -1.507) 3.945 26.758 ( -4.974 -0.770 2.415) 5.583 26.782 ( -1.482 -0.408 -1.517) 2.159 ======================= Grid point 119 (53/95) ======================= q-point: (-0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( 2.812 18.421 10.061) 21.176 1.682 ( 3.497 19.412 6.965) 20.918 1.903 ( -2.570 14.136 -5.562) 15.407 2.253 ( -3.110 4.010 -2.564) 5.685 2.485 ( -2.366 0.519 -2.865) 3.752 2.669 ( 0.680 2.324 -10.239) 10.521 2.778 ( -2.184 -5.157 0.734) 5.648 2.889 ( 1.448 -2.922 3.479) 4.769 3.003 ( -2.989 1.802 -0.384) 3.512 3.122 ( 4.514 1.504 -8.531) 9.768 3.170 ( -1.730 0.705 6.399) 6.666 3.275 ( 2.346 18.954 6.124) 20.056 3.385 ( 1.646 5.207 6.179) 8.246 3.522 ( -2.573 -3.997 6.098) 7.732 3.579 ( -1.305 -4.457 3.009) 5.534 3.687 ( 0.236 -7.784 -4.444) 8.966 3.836 ( 4.327 4.675 -0.772) 6.417 3.925 ( -5.782 -0.461 1.415) 5.970 4.019 ( 2.670 -0.694 -3.599) 4.535 4.117 ( -2.409 6.367 -3.777) 7.785 4.254 ( 2.466 0.836 -3.288) 4.194 4.421 ( -0.168 14.005 -10.347) 17.414 4.546 ( 1.875 3.301 1.178) 3.975 4.583 ( -1.762 0.096 1.244) 2.159 4.691 ( -0.231 -4.964 1.427) 5.170 4.750 ( -0.256 -4.698 0.713) 4.758 5.016 ( -2.260 -5.416 -1.304) 6.012 5.176 ( 4.167 -6.476 -4.905) 9.130 5.234 ( -2.961 -2.110 5.132) 6.289 5.424 ( 0.685 -0.631 7.724) 7.780 5.589 ( -0.915 2.135 -6.227) 6.646 5.718 ( 4.950 -4.867 -1.024) 7.017 5.933 ( -0.681 -2.308 5.611) 6.106 5.976 ( -1.461 -3.996 -2.865) 5.129 6.017 ( 2.430 -0.577 -6.481) 6.946 6.193 ( -4.292 -0.620 -2.815) 5.170 6.362 ( 0.617 -5.994 7.875) 9.916 6.695 ( 9.325 -5.218 0.812) 10.717 6.853 ( -6.978 -10.476 5.839) 13.876 7.525 ( -1.008 -1.155 -5.909) 6.104 7.667 ( -1.949 -5.158 6.186) 8.287 7.913 ( 2.022 0.107 -1.258) 2.384 8.335 ( -3.638 -2.194 1.514) 4.511 8.586 ( 5.194 -2.376 -3.440) 6.668 8.630 ( 9.689 0.951 8.650) 13.024 9.213 ( -22.288 3.353 -16.364) 27.853 9.674 ( 2.977 -1.495 10.814) 11.316 9.882 ( 1.049 4.338 0.851) 4.543 10.002 ( -4.813 1.619 0.789) 5.139 10.105 ( 0.266 0.700 -4.831) 4.889 10.274 ( 7.349 2.563 7.595) 10.875 10.544 ( 14.034 1.367 -7.540) 15.990 10.923 ( -4.076 -1.452 1.248) 4.503 10.995 ( 5.197 -5.294 3.702) 8.291 11.156 ( -2.005 -5.689 -1.864) 6.313 11.278 ( -10.743 -7.644 -2.194) 13.366 11.384 ( -10.075 -2.247 5.747) 11.815 11.656 ( 12.191 4.225 -4.290) 13.597 15.323 ( 2.992 -0.489 4.993) 5.842 15.635 ( -3.256 2.607 -7.634) 8.700 19.461 ( 0.882 -1.065 2.863) 3.180 19.595 ( -0.646 -0.183 -2.370) 2.463 20.818 ( 0.743 2.219 0.782) 2.467 20.908 ( -1.195 7.930 -4.130) 9.021 21.226 ( -1.029 9.986 9.247) 13.649 21.565 ( 1.298 8.108 -4.790) 9.507 22.789 ( 1.743 -13.793 6.401) 15.306 23.124 ( -1.120 -11.623 -5.435) 12.880 24.272 ( 1.159 2.374 2.647) 3.739 24.450 ( -1.565 -2.204 -4.533) 5.278 26.684 ( -2.796 -0.369 2.761) 3.947 26.791 ( 1.987 -0.059 -1.527) 2.507 ======================= Grid point 120 (54/95) ======================= q-point: (-0.22 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( 6.840 16.222 6.520) 18.774 1.656 ( 13.161 18.960 11.753) 25.900 1.857 ( 8.121 8.744 -7.516) 14.103 2.169 ( -2.839 5.669 -17.140) 18.275 2.357 ( -2.994 9.960 13.486) 17.030 2.607 ( -5.439 4.945 -7.276) 10.343 2.716 ( -1.382 1.496 0.709) 2.157 2.853 ( 0.302 6.866 -0.534) 6.893 2.910 ( -4.706 -5.478 1.270) 7.333 3.078 ( -3.241 5.810 0.426) 6.666 3.157 ( -1.225 3.145 3.527) 4.882 3.180 ( 3.873 13.981 -0.959) 14.539 3.346 ( 2.664 6.503 4.337) 8.258 3.488 ( -0.147 0.477 7.879) 7.895 3.704 ( -1.063 -13.001 2.486) 13.279 3.783 ( 1.208 -5.010 -1.876) 5.484 3.836 ( 0.637 4.365 -3.893) 5.883 3.854 ( -3.890 -6.043 -0.802) 7.231 4.030 ( 0.044 -1.114 -4.455) 4.593 4.050 ( -0.977 2.293 -1.002) 2.686 4.201 ( -5.711 5.096 -7.621) 10.802 4.357 ( 4.340 4.748 -3.227) 7.197 4.471 ( -6.286 2.069 0.329) 6.626 4.524 ( -2.162 -0.291 -0.186) 2.189 4.789 ( -1.689 -4.994 0.733) 5.323 4.813 ( 3.769 -7.917 1.274) 8.860 5.046 ( 0.865 -2.131 -3.814) 4.453 5.221 ( -3.208 -2.728 -0.951) 4.318 5.290 ( 3.899 -3.062 4.017) 6.381 5.418 ( -2.972 -2.907 8.439) 9.407 5.568 ( 1.098 2.594 -5.768) 6.419 5.826 ( -2.559 -1.613 -3.540) 4.656 5.850 ( -4.419 -0.554 2.896) 5.313 6.007 ( 2.664 -2.082 -5.468) 6.429 6.059 ( 4.411 -1.065 -4.215) 6.193 6.276 ( 7.976 -0.489 7.717) 11.109 6.469 ( 6.030 -4.496 6.915) 10.218 6.873 ( -3.303 -13.868 -6.385) 15.620 7.052 ( 17.508 -7.086 5.317) 19.622 7.476 ( -1.073 -6.972 2.157) 7.377 7.770 ( 6.131 -0.088 -4.957) 7.884 7.944 ( 0.681 1.601 4.731) 5.041 8.311 ( 0.818 0.363 -1.590) 1.825 8.612 ( -4.482 -0.890 -0.655) 4.616 8.823 ( -11.844 -3.175 -2.432) 12.501 8.891 ( 8.329 -0.952 4.888) 9.704 9.664 ( -5.071 3.693 -2.046) 6.598 9.733 ( -11.098 2.865 -0.428) 11.470 9.948 ( 3.925 -1.138 0.729) 4.152 10.116 ( 3.970 5.154 -1.736) 6.734 10.430 ( 6.206 -1.016 0.829) 6.343 10.689 ( -7.939 2.447 13.591) 15.929 10.843 ( 10.179 3.340 -9.550) 14.352 11.004 ( -5.249 -2.150 0.350) 5.683 11.193 ( 1.371 -3.539 -2.334) 4.455 11.311 ( -0.010 -12.695 -4.237) 13.384 11.459 ( 12.044 -5.115 1.957) 13.231 11.835 ( 10.018 1.893 1.486) 10.303 15.364 ( 0.481 1.544 3.684) 4.023 15.521 ( -4.323 1.513 -6.338) 7.820 19.514 ( 3.337 -1.009 3.209) 4.739 19.625 ( 2.102 -2.711 -2.568) 4.285 20.758 ( -2.332 4.255 0.447) 4.873 20.873 ( 2.959 4.167 -2.535) 5.705 21.108 ( 0.536 12.186 6.092) 13.634 21.531 ( 3.455 6.653 -4.432) 8.708 22.855 ( -12.072 -13.194 7.167) 19.266 23.075 ( -13.171 -7.466 -5.325) 16.049 24.312 ( 4.997 1.391 4.145) 6.640 24.449 ( 0.402 -1.583 -4.752) 5.025 26.701 ( 4.382 -0.865 -0.062) 4.467 26.847 ( 3.399 -0.696 0.799) 3.561 ======================= Grid point 121 (55/95) ======================= q-point: (-0.11 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( 1.467 6.189 -5.168) 8.196 1.716 ( -8.513 18.128 0.677) 20.039 1.786 ( 14.577 14.980 13.664) 24.972 2.122 ( 11.177 2.164 -13.971) 18.022 2.334 ( -4.158 5.584 -0.553) 6.984 2.401 ( -2.924 1.603 1.369) 3.605 2.716 ( 1.696 3.653 6.091) 7.302 2.843 ( 1.241 3.845 -1.489) 4.306 2.895 ( -3.423 -5.750 -1.619) 6.885 3.023 ( 9.956 11.574 0.236) 15.268 3.105 ( 2.465 7.808 3.797) 9.026 3.151 ( 0.670 1.318 1.146) 1.871 3.361 ( 5.117 5.607 3.781) 8.481 3.510 ( 0.728 -0.835 6.981) 7.069 3.652 ( -16.218 -3.394 -2.184) 16.712 3.743 ( 1.305 5.412 0.350) 5.578 3.846 ( -1.499 -5.519 -0.257) 5.725 3.913 ( 0.353 -5.819 -3.913) 7.022 4.021 ( 1.823 0.643 -5.014) 5.374 4.028 ( -2.070 -0.555 0.299) 2.164 4.102 ( -0.697 -0.820 -7.628) 7.704 4.307 ( -5.839 -1.729 1.506) 6.273 4.390 ( -0.740 1.965 -2.025) 2.917 4.561 ( 6.188 0.344 -1.463) 6.368 4.788 ( -3.833 -5.289 0.357) 6.542 4.886 ( -5.522 -6.418 2.919) 8.956 5.086 ( 2.452 -2.250 -5.503) 6.430 5.123 ( -7.200 -0.387 2.237) 7.549 5.407 ( 4.338 -2.142 2.112) 5.279 5.426 ( 1.690 0.249 9.118) 9.277 5.548 ( -0.699 -0.217 -5.155) 5.207 5.695 ( -5.385 2.050 -3.883) 6.948 5.881 ( 3.722 -0.895 -4.418) 5.846 6.088 ( 4.466 -0.407 -0.846) 4.563 6.203 ( 9.380 -0.655 -5.045) 10.671 6.394 ( 3.204 0.778 9.233) 9.804 6.668 ( 9.927 -2.447 3.796) 10.907 6.938 ( -1.007 -8.686 -4.009) 9.620 7.407 ( 10.185 -9.912 10.544) 17.696 7.724 ( 17.184 -7.904 -11.492) 22.132 7.863 ( -3.045 5.863 2.944) 7.233 7.882 ( 4.717 -0.985 4.177) 6.377 8.314 ( -2.861 -1.422 -7.099) 7.785 8.559 ( -2.824 -2.562 -3.144) 4.942 8.636 ( -10.142 -5.822 6.579) 13.418 8.971 ( -6.421 1.414 7.740) 10.156 9.339 ( -9.474 7.823 0.319) 12.291 9.665 ( -2.482 5.890 -3.174) 7.137 10.077 ( -3.566 -3.060 -6.063) 7.671 10.113 ( 5.508 -5.047 -2.531) 7.888 10.456 ( -0.142 2.439 2.868) 3.768 10.665 ( 7.319 2.815 4.224) 8.907 10.750 ( -7.569 -1.827 -0.926) 7.841 11.188 ( 10.417 -0.924 5.818) 11.967 11.240 ( 2.029 -1.457 -1.098) 2.729 11.479 ( 7.344 -5.315 -10.801) 14.101 11.677 ( 8.037 0.377 0.629) 8.071 12.024 ( 9.040 -4.358 3.979) 10.796 15.309 ( -2.680 1.745 -0.865) 3.313 15.481 ( 0.222 0.774 -0.106) 0.813 19.582 ( 3.129 1.309 -1.028) 3.544 19.707 ( 1.573 -6.838 1.943) 7.281 20.672 ( -2.603 4.001 1.169) 4.914 20.886 ( 2.209 3.223 -2.750) 4.778 21.052 ( 3.254 6.535 2.054) 7.584 21.557 ( 6.650 6.195 -4.508) 10.145 22.576 ( -23.291 -2.300 4.837) 23.899 22.877 ( -14.516 -5.837 -0.793) 15.666 24.400 ( 4.829 2.378 4.051) 6.737 24.510 ( 3.514 -4.246 -3.388) 6.469 26.843 ( 7.399 -3.205 -3.053) 8.622 26.919 ( 3.122 -0.965 2.775) 4.287 ======================= Grid point 126 (56/95) ======================= q-point: (-0.56 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( 2.804 0.000 3.387) 4.397 1.918 ( -0.113 -0.000 2.655) 2.657 2.305 ( -0.695 -0.000 4.515) 4.569 2.386 ( 3.874 0.000 -4.990) 6.318 2.412 ( -5.472 -0.000 -4.511) 7.092 2.581 ( -9.287 -0.000 9.910) 13.581 2.722 ( -2.650 -0.000 -7.223) 7.694 2.906 ( -1.480 -0.000 -11.415) 11.511 2.915 ( 6.703 0.000 4.661) 8.165 3.066 ( 5.942 0.000 -3.103) 6.704 3.095 ( 3.649 0.000 11.736) 12.290 3.237 ( 6.945 0.000 -3.352) 7.712 3.328 ( 3.794 0.000 1.609) 4.121 3.526 ( -1.862 -0.000 -2.705) 3.283 3.587 ( 0.330 0.000 -8.935) 8.941 3.714 ( 8.911 0.000 7.426) 11.600 3.765 ( -1.519 -0.000 -1.759) 2.324 3.913 ( 1.278 0.000 -3.786) 3.995 4.115 ( -4.777 -0.000 2.226) 5.270 4.218 ( 0.708 0.000 0.158) 0.725 4.478 ( 5.357 0.000 4.624) 7.077 4.516 ( -0.718 -0.000 6.926) 6.963 4.630 ( 3.962 0.000 -0.074) 3.963 4.657 ( -3.029 -0.000 -1.562) 3.408 4.708 ( -1.437 -0.000 -0.199) 1.450 4.720 ( 0.419 0.000 2.775) 2.806 4.868 ( -2.532 -0.000 -2.029) 3.244 5.085 ( -2.297 -0.000 -11.805) 12.027 5.293 ( -7.927 -0.000 7.890) 11.185 5.471 ( 3.171 0.000 1.175) 3.381 5.489 ( -1.194 -0.000 0.831) 1.455 5.776 ( -1.291 -0.000 3.744) 3.960 5.794 ( 5.581 0.000 -7.118) 9.045 5.829 ( -2.684 -0.000 -5.086) 5.751 5.954 ( -3.937 -0.000 -6.528) 7.624 6.162 ( 2.382 0.000 5.007) 5.544 6.441 ( -15.183 -0.000 2.361) 15.366 6.485 ( -0.847 -0.000 -4.212) 4.296 6.999 ( -17.611 -0.000 20.960) 27.376 7.378 ( 11.555 0.000 -17.833) 21.249 7.755 ( -13.266 -0.000 11.551) 17.590 7.810 ( 6.228 0.000 -9.806) 11.617 8.339 ( -3.973 -0.000 6.705) 7.793 8.532 ( 1.260 0.000 -3.203) 3.442 8.548 ( 0.908 0.000 0.517) 1.045 9.437 ( 13.498 0.000 13.686) 19.222 9.749 ( -16.063 -0.000 -13.916) 21.253 9.803 ( 12.893 0.000 2.658) 13.164 9.986 ( 3.786 0.000 -12.690) 13.243 10.165 ( -6.645 -0.000 8.169) 10.530 10.357 ( 9.520 0.000 -5.325) 10.908 10.394 ( -9.697 -0.000 8.787) 13.086 10.674 ( -0.351 -0.000 -6.121) 6.131 10.932 ( 1.790 0.000 3.224) 3.688 11.192 ( -2.156 -0.000 0.503) 2.214 11.292 ( -12.124 -0.000 2.922) 12.472 11.559 ( 6.664 0.000 -14.312) 15.788 11.682 ( -15.723 -0.000 12.782) 20.263 15.252 ( 2.128 0.000 2.506) 3.288 15.709 ( 1.077 0.000 -3.734) 3.887 19.433 ( -1.096 -0.000 1.538) 1.888 19.659 ( -3.795 -0.000 -1.306) 4.013 20.832 ( 1.191 0.000 2.105) 2.418 21.072 ( 0.521 0.000 -8.426) 8.442 21.372 ( -0.271 -0.000 9.438) 9.442 21.757 ( -0.361 -0.000 -4.179) 4.194 22.467 ( 4.570 0.000 8.912) 10.016 22.826 ( 9.932 0.000 -6.299) 11.762 24.297 ( 1.279 0.000 -2.261) 2.598 24.451 ( -3.976 -0.000 -0.042) 3.976 26.750 ( -5.541 -0.000 3.419) 6.511 26.779 ( -0.329 -0.000 -2.469) 2.491 ======================= Grid point 128 (57/95) ======================= q-point: (-0.44 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( 3.410 13.983 7.678) 16.313 1.956 ( 2.321 6.019 3.497) 7.338 2.098 ( -5.783 2.647 2.501) 6.834 2.370 ( -2.507 8.064 3.189) 9.027 2.441 ( 0.198 0.092 -4.680) 4.685 2.586 ( 0.805 -10.391 5.154) 11.627 2.654 ( -4.233 -5.185 -16.762) 18.049 2.914 ( -0.511 1.504 -5.698) 5.915 2.970 ( -1.887 0.168 1.779) 2.599 3.146 ( 4.274 0.281 0.072) 4.284 3.179 ( 1.942 -0.564 7.642) 7.905 3.311 ( 0.752 -2.397 -1.852) 3.120 3.414 ( 3.288 -2.421 2.683) 4.886 3.509 ( -0.264 -0.360 1.966) 2.016 3.596 ( 3.696 0.013 -8.782) 9.528 3.667 ( -2.966 5.270 1.857) 6.326 3.858 ( -1.035 -0.783 2.415) 2.742 3.964 ( 2.752 -4.517 -3.758) 6.488 4.017 ( -1.241 4.072 5.155) 6.686 4.183 ( -4.713 0.744 -5.126) 7.003 4.416 ( 0.457 15.967 5.473) 16.885 4.559 ( 0.116 -0.890 5.306) 5.381 4.619 ( -3.954 0.814 -1.343) 4.254 4.627 ( -0.750 2.074 -1.103) 2.466 4.691 ( 2.232 -1.388 0.243) 2.640 4.751 ( 0.932 7.487 -3.659) 8.386 4.845 ( -0.862 -8.462 -1.000) 8.564 5.069 ( 1.114 -2.730 -8.311) 8.818 5.209 ( -2.452 -0.569 6.375) 6.853 5.455 ( 0.785 2.988 3.514) 4.679 5.588 ( 4.262 -6.983 2.578) 8.577 5.657 ( -0.072 3.661 -9.494) 10.176 5.822 ( -0.694 -5.940 3.743) 7.055 5.901 ( -1.718 -2.905 -5.775) 6.689 6.055 ( 11.030 2.736 0.173) 11.365 6.173 ( -8.390 -1.689 -0.414) 8.569 6.263 ( 2.380 -2.807 1.382) 3.931 6.550 ( 2.948 -5.513 -8.536) 10.581 6.770 ( -5.845 -0.668 16.976) 17.966 7.505 ( -11.609 -0.430 11.285) 16.196 7.593 ( 8.235 -2.263 -9.845) 13.033 7.918 ( 5.676 0.245 -6.858) 8.906 8.287 ( -2.083 -1.686 4.992) 5.665 8.567 ( 2.177 -0.211 -4.177) 4.715 8.652 ( 10.502 0.868 10.311) 14.743 9.259 ( -24.458 1.228 -14.404) 28.411 9.645 ( 0.977 -1.026 10.299) 10.396 9.939 ( -3.206 1.153 -2.376) 4.154 10.035 ( -4.640 1.287 -0.914) 4.901 10.091 ( 11.136 -0.532 -2.375) 11.398 10.338 ( 2.869 2.053 6.025) 6.982 10.580 ( 14.821 2.168 -6.926) 16.503 10.795 ( 8.253 -6.279 1.105) 10.428 10.955 ( -1.322 -0.743 1.023) 1.829 11.056 ( -11.096 -2.811 -2.341) 11.684 11.170 ( -3.456 -3.410 -1.637) 5.124 11.389 ( -14.676 1.154 10.324) 17.980 11.722 ( 11.937 1.889 -4.585) 12.926 15.317 ( 3.904 -0.132 6.311) 7.422 15.672 ( -3.918 1.016 -7.730) 8.725 19.442 ( 1.655 -0.586 3.143) 3.600 19.600 ( -1.788 0.348 -3.021) 3.527 20.846 ( 0.331 0.648 2.164) 2.283 21.027 ( -2.090 3.341 -6.837) 7.892 21.382 ( 2.341 4.630 9.591) 10.904 21.715 ( -0.315 5.458 -5.163) 7.520 22.554 ( -0.543 -7.821 8.776) 11.768 22.949 ( 0.581 -5.087 -6.285) 8.106 24.323 ( 2.028 2.540 0.198) 3.257 24.399 ( -1.884 -2.533 -2.915) 4.297 26.679 ( -2.187 -0.152 2.779) 3.540 26.790 ( 1.697 -0.027 -1.638) 2.358 ======================= Grid point 129 (58/95) ======================= q-point: (-0.33 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( 0.743 14.952 5.957) 16.112 1.946 ( 4.792 5.932 -3.467) 8.377 2.064 ( 6.800 13.810 9.573) 18.128 2.257 ( -3.441 5.837 -8.837) 11.136 2.470 ( 4.686 -1.653 5.726) 7.581 2.586 ( -7.535 -6.454 -7.822) 12.634 2.672 ( -3.230 -8.230 -0.055) 8.841 2.813 ( -3.740 7.223 -2.380) 8.474 2.907 ( -1.724 -0.791 -3.982) 4.411 3.154 ( -3.407 2.105 6.348) 7.506 3.212 ( 1.545 1.624 -6.462) 6.839 3.356 ( -2.216 -8.247 5.517) 10.167 3.429 ( -2.062 -0.933 5.321) 5.782 3.546 ( 4.022 2.461 -3.041) 5.611 3.576 ( 1.362 10.288 8.852) 13.640 3.678 ( 0.652 -4.579 -5.237) 6.986 3.751 ( -6.984 -3.850 -3.879) 8.868 4.002 ( -3.831 2.761 -0.449) 4.744 4.017 ( 3.794 6.269 3.766) 8.239 4.080 ( -0.709 0.417 -3.825) 3.913 4.292 ( -1.377 6.241 3.099) 7.103 4.482 ( -6.300 -0.698 0.855) 6.395 4.521 ( -2.656 2.628 -2.678) 4.597 4.629 ( -0.121 14.164 -5.124) 15.063 4.695 ( 4.987 -0.807 2.638) 5.700 4.739 ( 1.334 -0.823 -1.298) 2.036 4.952 ( 0.909 -9.946 -0.883) 10.027 5.109 ( -2.312 -4.386 -2.881) 5.735 5.238 ( 4.384 -1.969 3.995) 6.250 5.439 ( 0.904 4.170 4.337) 6.084 5.641 ( 0.006 4.645 -3.486) 5.808 5.745 ( 3.272 -7.291 1.874) 8.208 5.818 ( -5.349 -2.242 -0.500) 5.821 5.949 ( 3.499 -3.649 -7.459) 9.011 6.016 ( -0.723 -2.237 -3.790) 4.460 6.285 ( 9.632 1.593 8.287) 12.806 6.394 ( 8.052 -3.155 4.019) 9.537 6.592 ( -2.421 -12.708 -6.601) 14.523 6.946 ( 15.051 -3.499 3.326) 15.806 7.370 ( -2.152 -3.507 6.224) 7.461 7.747 ( 5.938 -1.850 -4.549) 7.706 7.984 ( 2.721 2.136 -1.782) 3.891 8.311 ( 2.569 -0.308 2.615) 3.678 8.571 ( -3.754 -2.089 -0.724) 4.357 8.806 ( -17.138 0.596 -6.665) 18.398 8.896 ( 9.943 0.912 11.654) 15.347 9.673 ( 1.492 -2.085 -0.539) 2.620 9.760 ( -13.570 0.260 -0.397) 13.579 9.983 ( 0.897 3.446 -5.578) 6.617 10.233 ( 4.492 6.305 -1.378) 7.864 10.408 ( 5.629 -1.233 1.166) 5.880 10.728 ( -2.857 2.488 12.523) 13.083 10.818 ( -9.867 -5.645 -6.706) 13.198 10.976 ( 1.224 -3.753 3.890) 5.542 11.069 ( 11.543 -5.660 -12.908) 18.218 11.189 ( -1.560 0.842 1.730) 2.477 11.332 ( 12.769 -6.375 3.018) 14.587 11.897 ( 8.640 3.159 1.676) 9.351 15.390 ( 2.962 0.958 6.995) 7.656 15.547 ( -6.552 1.001 -8.600) 10.858 19.506 ( 4.283 -0.044 3.965) 5.836 19.590 ( 0.507 -1.022 -3.703) 3.874 20.820 ( -2.389 1.810 1.902) 3.550 20.956 ( -0.125 3.903 -5.223) 6.521 21.356 ( 2.049 11.197 7.477) 13.619 21.660 ( 1.957 5.822 -4.323) 7.511 22.590 ( -8.068 -12.073 7.116) 16.170 22.918 ( -10.002 -7.120 -5.307) 13.376 24.334 ( 2.305 0.924 -0.089) 2.485 24.422 ( 1.439 -1.272 -1.901) 2.702 26.688 ( 2.829 -0.482 0.815) 2.983 26.836 ( 3.054 -0.354 0.096) 3.076 ======================= Grid point 130 (59/95) ======================= q-point: (-0.22 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( -6.196 9.442 -4.029) 11.990 1.934 ( -3.814 5.839 -0.993) 7.045 2.096 ( 11.006 11.778 3.683) 16.536 2.191 ( 6.358 4.851 -0.382) 8.006 2.391 ( -12.343 -2.259 -2.593) 12.813 2.524 ( -4.168 12.321 1.024) 13.047 2.699 ( -2.963 -0.386 -2.277) 3.756 2.710 ( -0.967 -7.276 3.479) 8.123 2.968 ( 7.944 3.424 -5.536) 10.271 3.058 ( -2.665 -0.370 4.345) 5.111 3.186 ( 0.890 4.147 -7.654) 8.751 3.365 ( -3.474 -6.240 9.678) 12.028 3.481 ( 0.186 -2.752 3.087) 4.140 3.500 ( -0.282 0.342 5.173) 5.192 3.599 ( 4.799 7.807 3.118) 9.680 3.615 ( -8.305 -3.899 -1.094) 9.240 3.751 ( -0.176 -4.327 -4.058) 5.935 3.896 ( -1.749 3.757 -0.500) 4.175 4.023 ( 1.415 1.907 -1.656) 2.895 4.062 ( -1.575 1.941 -0.065) 2.501 4.207 ( -1.002 5.652 1.889) 6.043 4.425 ( -0.686 2.821 -2.461) 3.806 4.446 ( -1.860 8.973 -2.878) 9.605 4.537 ( 4.440 0.190 -2.808) 5.257 4.716 ( -0.887 -0.647 0.074) 1.100 4.799 ( -0.421 -1.706 1.303) 2.187 5.023 ( -2.664 -6.436 0.283) 6.972 5.084 ( -1.527 -0.735 -1.297) 2.134 5.369 ( 5.380 -2.274 1.336) 5.992 5.430 ( 2.219 1.162 5.053) 5.640 5.553 ( -4.139 0.981 -3.111) 5.270 5.726 ( -3.976 0.847 -2.303) 4.672 5.846 ( 3.065 -2.286 -2.401) 4.515 6.050 ( 4.858 -2.610 -2.148) 5.918 6.133 ( 5.674 -6.327 -3.134) 9.058 6.416 ( 5.390 0.871 6.554) 8.531 6.636 ( 13.884 -1.704 3.325) 14.378 6.741 ( 5.325 -9.619 -7.069) 13.071 7.220 ( 8.637 -7.879 9.876) 15.304 7.588 ( 18.311 -5.339 -11.686) 22.369 7.850 ( 3.562 -2.094 6.031) 7.311 7.955 ( -2.748 3.319 1.646) 4.613 8.318 ( -3.867 1.745 -5.372) 6.845 8.509 ( -9.750 -2.327 -5.466) 11.417 8.547 ( -2.451 -3.387 5.863) 7.201 8.994 ( -5.774 1.437 14.039) 15.248 9.470 ( -8.119 4.710 -0.270) 9.390 9.765 ( 0.809 3.901 -7.321) 8.335 9.943 ( -2.174 -5.663 -4.687) 7.666 10.182 ( -0.946 7.286 -1.490) 7.497 10.495 ( -0.752 0.920 1.973) 2.303 10.664 ( 4.250 -3.421 -0.761) 5.509 10.707 ( -4.877 -1.219 8.352) 9.749 11.117 ( 4.995 -6.617 1.660) 8.455 11.173 ( 0.928 -4.436 -1.899) 4.914 11.408 ( 18.063 -0.510 -13.291) 22.431 11.669 ( 13.216 -2.451 3.766) 13.959 11.981 ( 4.166 0.670 5.335) 6.802 15.354 ( -4.173 2.606 -2.881) 5.702 15.486 ( 0.526 -0.243 1.804) 1.895 19.602 ( 5.299 -0.399 4.489) 6.956 19.616 ( 0.669 -1.647 -3.902) 4.288 20.735 ( -3.839 2.567 1.156) 4.760 20.936 ( 0.998 2.018 -4.153) 4.724 21.257 ( 0.374 12.697 4.031) 13.327 21.681 ( 6.464 5.399 -3.252) 9.028 22.468 ( -17.035 -7.440 5.613) 19.418 22.745 ( -14.167 -7.125 -3.147) 16.167 24.408 ( 4.806 -2.113 -0.486) 5.273 24.460 ( 2.092 0.025 -0.230) 2.105 26.790 ( 6.215 -2.121 -1.548) 6.747 26.903 ( 3.317 -0.630 1.921) 3.885 ======================= Grid point 131 (60/95) ======================= q-point: (-0.11 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( -3.262 6.906 -7.514) 10.714 1.779 ( -0.071 9.793 5.580) 11.272 2.162 ( -9.242 3.071 -4.554) 10.751 2.242 ( 4.476 4.170 3.237) 6.922 2.285 ( 0.090 3.485 -3.076) 4.649 2.328 ( 5.829 3.751 4.160) 8.084 2.673 ( -1.559 -3.340 0.144) 3.689 2.695 ( -6.259 -5.540 -1.673) 8.525 3.001 ( -0.327 7.074 -0.533) 7.101 3.078 ( 0.904 -1.472 1.238) 2.125 3.194 ( 2.995 1.766 -5.798) 6.761 3.301 ( -10.239 -2.340 -2.702) 10.845 3.403 ( -4.523 0.079 10.442) 11.380 3.495 ( 3.728 6.124 4.695) 8.570 3.593 ( 3.280 6.424 2.850) 7.756 3.648 ( -3.121 -14.105 2.146) 14.605 3.786 ( 2.294 3.817 3.239) 5.507 3.865 ( -0.932 -2.658 -0.301) 2.833 3.979 ( -4.519 0.574 -2.925) 5.413 4.048 ( 2.249 -2.046 -4.791) 5.675 4.178 ( 3.055 6.096 1.067) 6.901 4.314 ( -1.869 6.389 -0.859) 6.712 4.436 ( 5.045 4.275 -2.766) 7.168 4.658 ( -1.765 -5.621 0.028) 5.892 4.696 ( -3.962 -0.644 -2.321) 4.637 4.745 ( 2.268 0.953 1.040) 2.671 5.010 ( 0.621 0.071 2.260) 2.345 5.124 ( 3.726 -1.347 -3.944) 5.590 5.444 ( 0.724 -1.272 -1.840) 2.351 5.504 ( 3.336 0.131 -1.343) 3.599 5.535 ( 3.147 -3.038 0.957) 4.478 5.648 ( -2.197 3.013 -1.654) 4.079 5.934 ( 4.498 -2.581 -2.302) 5.674 6.170 ( 4.925 -2.365 0.168) 5.466 6.262 ( 2.314 -5.156 -0.246) 5.656 6.494 ( 3.759 1.459 2.060) 4.528 6.887 ( 11.237 2.212 1.766) 11.588 6.928 ( 7.600 -4.416 -3.240) 9.368 7.480 ( 8.018 -8.485 1.704) 11.798 7.789 ( -8.997 2.834 5.389) 10.863 7.936 ( 10.290 -4.881 -3.589) 11.941 8.026 ( 9.183 -4.170 5.910) 11.689 8.194 ( -5.154 -0.298 -4.756) 7.020 8.313 ( -8.032 0.876 -3.061) 8.640 8.647 ( -1.038 -4.357 0.686) 4.531 8.738 ( -8.335 2.247 8.416) 12.056 9.371 ( -6.279 5.312 -2.562) 8.614 9.531 ( -11.800 2.035 1.265) 12.041 9.947 ( -6.052 2.269 -5.326) 8.375 10.156 ( 2.764 -1.304 -1.638) 3.467 10.522 ( 6.818 -1.755 -3.193) 7.731 10.694 ( 1.762 1.523 8.081) 8.410 10.832 ( 7.476 -1.119 -2.173) 7.865 11.212 ( 0.704 -6.181 3.641) 7.209 11.293 ( 4.100 -3.207 -0.323) 5.215 11.635 ( 4.983 4.243 -5.383) 8.474 11.828 ( 9.254 -0.145 -1.216) 9.334 12.123 ( 6.168 -4.007 3.364) 8.088 15.278 ( -1.522 0.515 -0.930) 1.856 15.495 ( 0.158 0.784 0.821) 1.146 19.623 ( -1.034 -1.446 -4.708) 5.033 19.714 ( 5.267 -0.540 6.114) 8.088 20.656 ( -1.917 1.417 -0.909) 2.551 20.930 ( 0.361 1.566 -3.674) 4.010 21.152 ( -0.492 7.720 2.896) 8.260 21.766 ( 8.136 5.844 -0.952) 10.062 22.168 ( -17.936 -2.237 1.874) 18.172 22.567 ( -11.640 -5.584 -0.778) 12.934 24.487 ( 1.942 1.702 3.242) 4.145 24.533 ( 4.079 -4.307 -3.004) 6.649 26.923 ( 4.667 -2.450 -2.044) 5.654 26.968 ( 2.836 -0.847 2.137) 3.650 ======================= Grid point 137 (61/95) ======================= q-point: ( 0.56 -0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( -0.762 -0.000 -3.136) 3.227 1.978 ( -3.437 -0.000 6.699) 7.529 2.224 ( 12.742 0.000 9.782) 16.064 2.380 ( -9.612 -0.000 -4.653) 10.679 2.425 ( 0.828 0.000 8.498) 8.538 2.452 ( -3.225 -0.000 -8.648) 9.230 2.557 ( 0.941 0.000 -3.635) 3.755 2.890 ( 1.329 0.000 -11.789) 11.863 2.913 ( -2.989 -0.000 2.165) 3.691 3.189 ( -0.927 -0.000 10.663) 10.704 3.203 ( 1.805 0.000 3.195) 3.669 3.285 ( -1.026 -0.000 -7.497) 7.567 3.427 ( -1.829 -0.000 1.948) 2.672 3.558 ( 3.858 0.000 2.315) 4.499 3.602 ( -8.796 -0.000 -5.326) 10.283 3.657 ( -9.145 -0.000 -0.816) 9.181 3.747 ( 6.105 0.000 -6.104) 8.633 3.961 ( -3.681 -0.000 0.929) 3.797 4.077 ( -2.712 -0.000 -7.147) 7.644 4.117 ( 6.073 0.000 10.222) 11.890 4.462 ( -8.084 -0.000 3.122) 8.666 4.483 ( -5.448 -0.000 4.382) 6.991 4.598 ( 0.143 0.000 0.120) 0.187 4.638 ( -2.529 -0.000 1.344) 2.864 4.713 ( 6.553 0.000 1.604) 6.746 4.735 ( 0.089 0.000 -0.346) 0.357 4.875 ( 2.205 0.000 -2.169) 3.093 5.080 ( 2.382 0.000 -9.749) 10.035 5.213 ( 2.181 0.000 4.083) 4.629 5.540 ( -2.565 -0.000 3.354) 4.223 5.586 ( 8.417 0.000 4.228) 9.419 5.721 ( 1.911 0.000 -4.807) 5.173 5.771 ( -4.555 -0.000 2.337) 5.119 5.897 ( 4.077 0.000 -10.404) 11.174 6.001 ( -3.342 -0.000 -3.227) 4.646 6.323 ( 11.693 0.000 11.165) 16.167 6.345 ( 7.758 0.000 -0.093) 7.759 6.447 ( -3.163 -0.000 -6.962) 7.646 6.912 ( 14.097 0.000 3.049) 14.423 7.336 ( -2.503 -0.000 7.768) 8.161 7.722 ( 5.836 0.000 -4.600) 7.431 8.009 ( 3.039 0.000 -4.581) 5.497 8.306 ( 4.545 0.000 5.574) 7.192 8.550 ( -4.238 -0.000 -2.027) 4.698 8.814 ( -21.441 -0.000 -10.745) 23.983 8.910 ( 13.191 0.000 16.948) 21.476 9.642 ( 1.781 0.000 0.044) 1.782 9.759 ( -14.009 -0.000 -0.531) 14.019 10.024 ( 2.487 0.000 -7.852) 8.237 10.329 ( 12.107 0.000 0.739) 12.129 10.378 ( -1.825 -0.000 -1.421) 2.313 10.727 ( -15.427 -0.000 -4.455) 16.058 10.786 ( -0.733 -0.000 9.917) 9.944 10.881 ( 3.766 0.000 4.805) 6.105 11.042 ( 9.596 0.000 -11.476) 14.960 11.217 ( -1.571 -0.000 -0.431) 1.630 11.250 ( 14.287 0.000 4.067) 14.854 11.932 ( 8.520 0.000 2.043) 8.761 15.400 ( 3.985 0.000 8.377) 9.277 15.558 ( -7.467 -0.000 -9.605) 12.166 19.506 ( 4.905 0.000 4.556) 6.694 19.580 ( -0.300 -0.000 -4.335) 4.346 20.836 ( -2.065 -0.000 2.660) 3.367 21.001 ( -1.532 -0.000 -6.361) 6.543 21.484 ( 4.302 0.000 8.671) 9.680 21.728 ( -0.506 -0.000 -6.040) 6.061 22.450 ( -6.487 -0.000 8.266) 10.507 22.838 ( -8.995 -0.000 -5.605) 10.599 24.346 ( -0.390 -0.000 -4.291) 4.309 24.405 ( 3.534 0.000 1.950) 4.036 26.683 ( 2.362 0.000 1.081) 2.598 26.833 ( 2.937 0.000 -0.123) 2.939 ======================= Grid point 139 (62/95) ======================= q-point: (-0.33 0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( -11.198 6.783 -0.594) 13.105 1.987 ( 0.223 0.248 -5.983) 5.992 2.161 ( -6.709 0.463 0.729) 6.764 2.343 ( -11.541 -1.420 -2.943) 11.995 2.387 ( 10.144 7.070 7.520) 14.472 2.534 ( 0.424 -4.185 1.684) 4.530 2.614 ( 4.231 -1.141 -0.748) 4.445 2.889 ( 2.438 6.686 -0.295) 7.123 2.994 ( 7.418 -0.996 -2.542) 7.905 3.070 ( -9.726 6.755 7.964) 14.271 3.214 ( -1.134 0.707 -5.497) 5.657 3.307 ( -6.124 -0.182 2.377) 6.571 3.343 ( -1.041 -9.365 0.007) 9.423 3.396 ( -5.560 -4.378 -1.181) 7.174 3.581 ( -2.558 -1.886 1.372) 3.462 3.631 ( -0.100 -1.433 -2.262) 2.680 3.786 ( -1.584 4.769 -5.158) 7.201 3.884 ( 0.076 -3.646 -4.830) 6.052 4.075 ( -0.516 0.136 -1.226) 1.337 4.217 ( 5.094 5.727 10.808) 13.250 4.312 ( -4.657 6.189 1.485) 7.886 4.383 ( -2.668 -0.806 2.264) 3.591 4.517 ( 0.134 3.602 1.819) 4.037 4.662 ( -3.117 -0.107 -1.250) 3.360 4.731 ( 0.971 -0.697 -0.703) 1.387 4.845 ( 3.694 2.723 0.279) 4.597 4.876 ( 1.535 -1.270 2.443) 3.152 5.116 ( 3.802 3.105 -5.689) 7.514 5.302 ( 4.431 -4.040 0.154) 5.998 5.473 ( -1.411 2.223 1.011) 2.821 5.580 ( -7.571 1.053 -0.035) 7.644 5.720 ( -1.470 -0.998 -0.648) 1.892 5.815 ( 6.201 -0.463 0.462) 6.235 5.980 ( 2.395 -5.227 -4.501) 7.302 6.028 ( 4.879 -0.971 -1.049) 5.085 6.395 ( 2.291 -2.896 -0.308) 3.705 6.567 ( 14.645 -2.271 -1.777) 14.926 6.648 ( 14.912 -1.175 -1.166) 15.004 7.117 ( 7.380 -2.437 10.560) 13.112 7.518 ( 18.832 -1.769 -11.816) 22.303 7.811 ( 3.486 -1.342 6.420) 7.428 7.998 ( -3.523 1.078 0.716) 3.753 8.377 ( -4.888 3.783 -2.995) 6.869 8.462 ( -1.170 -3.303 -0.558) 3.548 8.493 ( -8.783 -1.249 -0.578) 8.890 9.025 ( -6.652 1.197 16.866) 18.170 9.527 ( -6.112 1.399 -0.820) 6.323 9.761 ( 9.506 -2.492 -8.757) 13.162 9.932 ( -13.785 2.361 -4.695) 14.752 10.349 ( 4.567 8.405 -4.316) 10.494 10.490 ( -4.495 -0.964 0.588) 4.635 10.556 ( 4.744 -6.301 -0.095) 7.888 10.690 ( -5.286 -0.911 11.475) 12.667 10.988 ( 5.063 -4.172 1.259) 6.680 11.110 ( 0.287 -1.486 -3.982) 4.260 11.425 ( 18.615 0.989 -12.557) 22.476 11.604 ( 18.454 -2.558 5.371) 19.390 12.016 ( 1.269 1.551 5.985) 6.311 15.401 ( -6.057 1.704 -6.873) 9.318 15.474 ( 1.864 -0.706 5.843) 6.174 19.575 ( -0.197 -0.718 -4.443) 4.505 19.620 ( 6.581 0.274 5.162) 8.368 20.771 ( -4.496 0.928 1.885) 4.963 20.968 ( -0.666 1.050 -5.672) 5.807 21.502 ( 0.867 10.029 6.347) 11.900 21.729 ( 2.199 -1.161 -3.676) 4.438 22.340 ( -8.666 -3.850 4.951) 10.698 22.622 ( -15.091 -4.055 -3.856) 16.095 24.370 ( 3.023 -1.085 -4.751) 5.735 24.467 ( 2.802 0.224 3.534) 4.515 26.761 ( 5.341 -0.742 -0.844) 5.458 26.895 ( 3.444 -0.214 1.445) 3.741 ======================= Grid point 140 (63/95) ======================= q-point: (-0.22 0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( -3.432 7.182 -2.733) 8.416 1.904 ( -3.278 1.996 0.678) 3.897 2.108 ( -12.820 -2.020 0.581) 12.991 2.207 ( 4.924 -2.890 -5.191) 7.716 2.449 ( -8.763 6.147 -0.226) 10.707 2.534 ( 10.050 6.810 7.122) 14.075 2.631 ( -1.274 2.627 -1.761) 3.409 2.689 ( -5.870 5.737 0.677) 8.236 3.004 ( -2.326 -3.295 2.804) 4.912 3.071 ( -2.309 -3.104 -0.550) 3.908 3.212 ( 1.850 0.208 -2.878) 3.428 3.225 ( -6.396 -7.123 6.862) 11.779 3.333 ( -3.152 -2.240 -4.487) 5.923 3.424 ( -0.027 -0.776 -0.865) 1.163 3.545 ( -3.617 -5.842 0.488) 6.888 3.629 ( -1.130 0.816 1.922) 2.375 3.737 ( -1.326 -3.762 -1.398) 4.227 3.966 ( 5.606 -1.298 -5.312) 7.832 4.006 ( -5.455 1.335 -3.880) 6.826 4.140 ( 0.474 13.481 5.755) 14.666 4.261 ( 0.312 3.218 8.702) 9.283 4.367 ( -1.971 -0.124 -0.342) 2.004 4.550 ( -2.543 -5.335 -1.320) 6.055 4.589 ( 4.099 8.191 0.098) 9.159 4.766 ( 2.722 3.287 -2.624) 5.010 4.777 ( -1.801 5.489 -0.389) 5.790 4.988 ( 6.177 -2.655 5.412) 8.631 5.150 ( 4.039 4.089 -4.137) 7.082 5.413 ( 2.416 -3.757 -0.380) 4.483 5.470 ( -0.902 -1.110 -3.278) 3.576 5.503 ( 2.659 -0.002 -2.920) 3.949 5.696 ( -0.231 1.166 -0.663) 1.361 5.896 ( 4.350 -0.659 -0.516) 4.430 6.077 ( 1.641 -7.119 1.011) 7.375 6.166 ( 6.643 -2.717 -1.272) 7.288 6.473 ( 1.726 -3.278 0.283) 3.716 6.866 ( 13.387 -1.203 -2.000) 13.589 6.907 ( 11.724 -0.564 0.719) 11.760 7.345 ( 12.742 -4.275 -0.985) 13.476 7.826 ( -7.628 0.733 1.681) 7.845 7.876 ( 7.919 -1.187 -2.455) 8.375 7.939 ( 7.600 -3.870 10.684) 13.671 8.201 ( -5.095 0.604 -6.235) 8.075 8.356 ( -1.982 3.151 -4.312) 5.696 8.566 ( -2.884 -3.877 4.631) 6.693 8.782 ( -8.292 1.951 10.356) 13.409 9.449 ( -5.723 2.395 -6.342) 8.872 9.554 ( -20.392 0.842 0.597) 20.418 9.958 ( 6.872 -0.950 -12.020) 13.878 10.253 ( -2.164 9.787 7.504) 12.521 10.481 ( 3.190 -1.957 2.902) 4.736 10.709 ( 3.391 -1.141 4.791) 5.979 10.770 ( 9.135 -4.856 -3.143) 10.812 11.088 ( 0.423 -3.994 0.931) 4.123 11.190 ( 5.073 -6.154 -3.219) 8.600 11.718 ( 12.896 2.894 -8.512) 15.721 11.849 ( 4.298 1.756 2.422) 5.237 12.053 ( 6.281 -2.504 6.212) 9.183 15.294 ( -3.050 0.895 -3.910) 5.039 15.505 ( 0.532 0.220 3.517) 3.563 19.573 ( -1.150 -2.081 -4.443) 5.039 19.743 ( 6.884 1.701 6.015) 9.299 20.676 ( -4.136 0.800 -0.001) 4.213 20.945 ( -0.733 0.232 -5.081) 5.138 21.360 ( -3.325 11.894 4.226) 13.053 21.804 ( 1.807 -3.085 1.287) 3.800 22.167 ( -10.420 3.222 -1.482) 11.007 22.433 ( -9.588 -7.521 -0.776) 12.210 24.460 ( 4.467 -2.711 -4.625) 6.978 24.511 ( 1.996 0.658 4.505) 4.971 26.877 ( 5.513 -1.768 -2.091) 6.156 26.960 ( 2.901 -0.211 2.404) 3.774 ======================= Grid point 141 (64/95) ======================= q-point: (-0.11 0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( -0.159 5.632 3.079) 6.421 1.882 ( 2.768 4.088 0.590) 4.972 1.963 ( -7.469 -7.321 0.108) 10.459 2.142 ( -5.863 8.086 1.764) 10.143 2.351 ( -2.183 -2.599 -0.616) 3.450 2.501 ( -1.560 0.692 -3.351) 3.760 2.559 ( -1.340 4.436 -4.017) 6.133 2.742 ( 6.176 4.050 3.860) 8.334 2.905 ( -5.355 -2.406 -0.460) 5.889 3.047 ( -1.898 -0.025 -3.359) 3.858 3.192 ( -3.329 -2.059 3.395) 5.181 3.268 ( 0.032 -4.907 3.171) 5.843 3.333 ( 0.362 -4.227 -1.732) 4.582 3.430 ( 0.706 -1.797 0.520) 1.999 3.552 ( -3.587 -7.742 2.888) 9.008 3.606 ( 0.964 2.081 2.062) 3.084 3.796 ( 0.904 -7.509 0.451) 7.577 3.886 ( -4.954 -0.102 -2.479) 5.541 4.023 ( 2.589 15.916 4.827) 16.832 4.080 ( 3.221 -2.606 -5.140) 6.602 4.232 ( -3.199 -1.943 2.392) 4.442 4.312 ( 1.402 6.928 1.381) 7.202 4.462 ( -8.134 -1.482 -2.361) 8.599 4.597 ( 0.871 5.064 0.269) 5.145 4.706 ( 1.379 3.497 -0.085) 3.760 4.789 ( 2.113 3.297 -1.146) 4.080 5.151 ( 7.168 0.354 1.390) 7.310 5.176 ( 1.938 0.793 -4.152) 4.650 5.450 ( 1.301 0.258 -2.212) 2.579 5.510 ( -0.094 -1.833 -0.249) 1.852 5.529 ( -0.630 -5.046 -3.784) 6.339 5.688 ( 0.786 3.598 -2.523) 4.464 5.994 ( 2.465 -2.289 2.885) 4.432 6.223 ( 7.609 -3.822 0.416) 8.526 6.308 ( 6.166 -2.219 -2.496) 7.012 6.512 ( -0.509 -2.462 1.036) 2.719 7.029 ( 0.217 -0.135 1.425) 1.448 7.061 ( 6.644 0.362 0.252) 6.658 7.530 ( -1.677 2.282 1.658) 3.281 7.618 ( -3.406 -2.097 -5.128) 6.504 7.907 ( -7.633 -2.415 4.867) 9.370 8.110 ( 7.271 -0.995 1.258) 7.446 8.207 ( 4.183 0.857 0.944) 4.373 8.436 ( 16.032 1.254 -1.252) 16.129 8.535 ( 0.856 -2.838 5.946) 6.644 8.762 ( -0.935 1.162 1.103) 1.854 9.063 ( -23.438 2.626 5.831) 24.295 9.398 ( -3.244 -3.746 -15.837) 16.594 9.941 ( -2.441 8.436 1.256) 8.872 10.171 ( -0.806 2.036 1.571) 2.695 10.648 ( 7.268 -5.629 -1.997) 9.408 10.773 ( 3.787 1.677 3.498) 5.421 10.909 ( 2.324 -0.103 -0.271) 2.342 11.157 ( 1.513 -7.662 1.816) 8.018 11.331 ( 3.834 -3.053 -2.642) 5.568 11.667 ( -5.971 5.982 3.122) 9.010 12.000 ( 8.551 -0.827 -2.217) 8.872 12.185 ( 2.672 -0.710 -0.296) 2.781 15.267 ( 0.434 -0.427 0.522) 0.802 15.495 ( -1.139 0.765 -0.212) 1.389 19.566 ( -1.688 -2.470 -3.970) 4.971 19.837 ( 4.766 3.132 6.516) 8.659 20.634 ( 0.033 -1.523 -3.282) 3.618 20.927 ( -0.791 -0.366 -4.575) 4.658 21.186 ( -4.866 7.323 4.865) 10.049 21.747 ( -12.466 -3.195 7.914) 15.107 22.047 ( 3.566 2.546 -8.200) 9.297 22.404 ( 0.995 -1.627 -0.036) 1.907 24.520 ( 0.272 1.077 2.556) 2.787 24.566 ( 3.133 -2.593 -1.991) 4.528 26.971 ( 2.411 -0.555 -1.111) 2.712 27.006 ( 1.871 -0.747 1.275) 2.384 ======================= Grid point 148 (65/95) ======================= q-point: ( 0.67 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( -4.202 -0.000 1.782) 4.564 1.898 ( -6.945 -0.000 -2.945) 7.544 2.112 ( -11.593 -0.000 1.177) 11.653 2.165 ( 5.053 0.000 -3.162) 5.961 2.475 ( -0.277 -0.000 -1.064) 1.100 2.592 ( 3.103 0.000 2.026) 3.705 2.684 ( 2.912 0.000 1.241) 3.166 2.829 ( -17.653 -0.000 -0.660) 17.666 2.967 ( -7.378 -0.000 4.677) 8.736 3.023 ( 8.009 0.000 2.817) 8.490 3.096 ( -7.011 -0.000 6.120) 9.307 3.232 ( 1.920 0.000 -3.626) 4.103 3.296 ( -5.749 -0.000 -1.434) 5.925 3.426 ( 4.113 0.000 -7.994) 8.990 3.492 ( -2.973 -0.000 2.475) 3.869 3.612 ( -2.182 -0.000 -2.712) 3.480 3.715 ( -4.163 -0.000 -0.426) 4.185 3.943 ( 5.351 0.000 -5.300) 7.531 4.009 ( -6.687 -0.000 -1.097) 6.776 4.295 ( -1.083 -0.000 10.812) 10.866 4.326 ( -2.398 -0.000 0.646) 2.484 4.350 ( 2.936 0.000 0.536) 2.984 4.465 ( -2.869 -0.000 0.040) 2.869 4.707 ( -0.510 -0.000 0.217) 0.554 4.765 ( 8.760 0.000 -1.903) 8.965 4.877 ( -2.150 -0.000 0.372) 2.182 4.948 ( 6.148 0.000 7.022) 9.333 5.225 ( 3.191 0.000 -2.847) 4.276 5.332 ( 2.542 0.000 -3.199) 4.085 5.480 ( -2.661 -0.000 -2.095) 3.387 5.502 ( 3.905 0.000 -4.660) 6.080 5.700 ( 0.310 0.000 0.086) 0.322 5.910 ( 2.562 0.000 2.869) 3.846 5.967 ( 3.424 0.000 -1.727) 3.834 6.149 ( 7.697 0.000 -1.465) 7.835 6.422 ( 1.607 0.000 -0.617) 1.721 6.867 ( 15.660 0.000 -1.922) 15.778 6.886 ( 10.445 0.000 1.024) 10.495 7.307 ( 14.707 0.000 -2.004) 14.843 7.845 ( 14.497 0.000 -9.780) 17.488 7.847 ( -13.118 -0.000 4.667) 13.924 7.903 ( 6.498 0.000 14.496) 15.885 8.208 ( -5.150 -0.000 -7.210) 8.860 8.408 ( 0.345 0.000 -2.375) 2.399 8.510 ( -4.090 -0.000 5.519) 6.869 8.804 ( -8.244 -0.000 11.149) 13.866 9.471 ( -5.242 -0.000 -8.781) 10.227 9.564 ( -24.198 -0.000 0.828) 24.212 9.946 ( 11.702 0.000 -12.479) 17.108 10.409 ( -3.999 -0.000 15.289) 15.803 10.469 ( -2.660 -0.000 7.539) 7.995 10.618 ( 11.687 0.000 -12.445) 17.072 10.730 ( 6.630 0.000 4.009) 7.748 11.083 ( 6.981 0.000 -2.671) 7.475 11.093 ( -0.827 -0.000 -1.313) 1.552 11.745 ( 15.846 0.000 -9.455) 18.452 11.868 ( 5.371 0.000 2.353) 5.864 12.031 ( 3.566 0.000 8.042) 8.797 15.305 ( -3.662 -0.000 -5.515) 6.620 15.507 ( 0.697 0.000 5.017) 5.065 19.552 ( -1.101 -0.000 -5.177) 5.293 19.761 ( 7.334 0.000 6.986) 10.128 20.685 ( -4.950 -0.000 0.497) 4.975 20.946 ( -1.562 -0.000 -5.871) 6.075 21.539 ( -6.172 -0.000 10.244) 11.960 21.709 ( -0.112 -0.000 -4.544) 4.546 22.269 ( 1.981 0.000 0.458) 2.033 22.293 ( -16.409 -0.000 -2.985) 16.679 24.432 ( 4.617 0.000 -5.045) 6.839 24.517 ( 1.928 0.000 4.911) 5.276 26.859 ( 5.594 0.000 -1.983) 5.935 26.958 ( 3.072 0.000 2.362) 3.875 ======================= Grid point 150 (66/95) ======================= q-point: (-0.22 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( -3.287 4.430 7.383) 9.217 1.807 ( -6.423 -5.753 -5.578) 10.270 1.962 ( -2.669 2.272 0.942) 3.629 2.245 ( 1.665 -0.067 2.912) 3.355 2.367 ( -6.936 4.333 0.889) 8.226 2.569 ( -4.002 6.552 0.963) 7.737 2.631 ( -2.695 2.007 -1.388) 3.636 2.743 ( 2.144 -5.568 -1.829) 6.240 2.866 ( -0.564 0.186 0.528) 0.795 2.997 ( -5.159 -3.771 2.812) 6.982 3.102 ( -5.385 -5.367 -2.195) 7.913 3.228 ( 0.915 2.416 1.781) 3.138 3.262 ( 2.269 -1.584 1.958) 3.390 3.445 ( -2.235 -1.785 -3.270) 4.344 3.483 ( 1.840 3.473 -2.248) 4.528 3.593 ( 1.221 -5.250 -1.989) 5.745 3.667 ( -2.323 -2.235 2.265) 3.939 3.874 ( -6.754 -0.755 0.806) 6.843 4.027 ( 1.822 -1.845 -6.534) 7.029 4.228 ( -4.246 0.760 8.353) 9.401 4.259 ( -0.295 6.518 -0.728) 6.565 4.388 ( -0.217 -0.114 0.297) 0.385 4.445 ( -1.230 0.813 -0.800) 1.677 4.700 ( 1.936 4.361 -1.618) 5.038 4.815 ( -0.371 4.555 1.258) 4.740 4.865 ( 2.284 2.803 0.540) 3.656 5.102 ( 7.159 -2.485 0.933) 7.635 5.227 ( -0.074 2.036 -0.140) 2.042 5.396 ( 1.865 -4.254 -2.984) 5.521 5.476 ( 1.980 0.960 -0.763) 2.329 5.504 ( -3.698 -0.688 -3.178) 4.924 5.735 ( 1.616 1.050 -3.719) 4.189 5.949 ( 0.897 -1.726 2.894) 3.487 6.149 ( 12.941 -2.337 -0.890) 13.181 6.285 ( 7.163 0.098 -2.247) 7.508 6.441 ( -1.177 -3.455 3.797) 5.267 7.026 ( 0.177 0.083 0.757) 0.781 7.054 ( 7.176 -0.722 -1.283) 7.325 7.575 ( 4.476 1.714 -2.954) 5.630 7.597 ( -3.344 -0.402 -1.971) 3.902 7.869 ( -8.683 -1.249 2.182) 9.039 8.088 ( 9.472 -0.862 0.703) 9.537 8.228 ( 5.495 0.895 7.715) 9.514 8.463 ( 10.277 1.316 0.537) 10.375 8.496 ( 5.521 -1.401 1.749) 5.958 8.785 ( -0.787 0.802 3.347) 3.531 9.097 ( -24.916 0.803 6.263) 25.703 9.343 ( -5.116 -1.533 -17.463) 18.261 10.093 ( 4.619 5.280 -9.611) 11.899 10.241 ( -6.566 3.493 11.744) 13.901 10.537 ( 1.700 -4.165 6.435) 7.851 10.772 ( 4.236 -1.592 -8.435) 9.572 10.892 ( 8.349 -1.230 4.733) 9.675 11.069 ( -0.406 -0.586 1.414) 1.584 11.243 ( 7.169 -4.038 -5.449) 9.868 11.774 ( -8.288 3.467 6.485) 11.080 11.985 ( 9.841 -0.501 -3.853) 10.580 12.171 ( 5.384 -0.514 -0.287) 5.416 15.265 ( -0.233 0.066 -1.252) 1.275 15.504 ( -1.170 0.161 1.458) 1.876 19.531 ( -1.143 -0.868 -5.091) 5.289 19.886 ( 5.605 1.354 8.344) 10.142 20.613 ( -2.358 -0.482 -2.040) 3.155 20.910 ( -1.972 -0.831 -6.093) 6.458 21.339 ( -10.226 5.904 8.768) 14.707 21.686 ( -7.728 -2.531 1.279) 8.232 22.060 ( -4.280 -0.494 -5.495) 6.983 22.388 ( 8.866 -0.068 -0.717) 8.896 24.518 ( 3.965 -0.869 -4.336) 5.939 24.543 ( 0.556 0.069 5.105) 5.135 26.956 ( 4.480 -0.571 -2.458) 5.142 27.002 ( 1.269 0.031 2.649) 2.938 ======================= Grid point 151 (67/95) ======================= q-point: (-0.11 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( -7.538 2.137 3.812) 8.713 1.696 ( -11.750 -8.806 -4.793) 15.446 1.950 ( 2.721 2.188 -3.596) 5.012 2.167 ( -8.898 4.521 9.323) 13.657 2.260 ( 1.657 4.565 4.850) 6.863 2.443 ( -6.078 -6.534 -1.318) 9.021 2.643 ( 3.267 5.207 -0.122) 6.149 2.802 ( 5.651 -1.102 -5.547) 7.995 2.953 ( 7.068 0.492 3.174) 7.763 2.960 ( -3.532 -3.190 -5.402) 7.200 3.137 ( 1.821 -9.086 4.886) 10.476 3.182 ( -1.322 1.324 -3.006) 3.541 3.322 ( -1.286 -2.645 2.909) 4.137 3.414 ( -4.236 -2.796 -0.224) 5.080 3.470 ( 1.726 0.655 5.623) 5.918 3.654 ( -0.667 -3.137 0.560) 3.256 3.752 ( 6.401 -4.844 -2.913) 8.539 3.818 ( -0.903 -1.680 0.062) 1.908 4.005 ( -7.392 -5.010 -2.545) 9.285 4.139 ( -1.021 6.794 2.306) 7.247 4.223 ( -0.657 0.768 -6.884) 6.957 4.336 ( -2.940 2.176 2.692) 4.541 4.422 ( 3.204 6.509 -2.603) 7.708 4.642 ( -1.758 7.114 1.343) 7.450 4.803 ( 3.741 5.932 1.403) 7.152 4.858 ( 1.087 1.295 -1.184) 2.064 5.179 ( -3.726 1.892 1.364) 4.396 5.207 ( 1.883 -1.592 -5.711) 6.221 5.412 ( -5.636 -3.248 -0.990) 6.580 5.476 ( 1.737 -2.337 -1.122) 3.120 5.527 ( 3.306 -0.691 1.106) 3.554 5.691 ( -3.184 2.401 -2.922) 4.944 5.964 ( -2.410 -2.669 1.684) 3.970 6.319 ( 1.721 -0.086 -1.195) 2.097 6.384 ( 1.252 -0.472 0.487) 1.424 6.486 ( 2.672 -3.370 2.060) 4.769 6.885 ( -11.299 -0.889 1.421) 11.422 7.132 ( -1.891 1.052 -2.687) 3.450 7.542 ( -0.099 2.095 3.272) 3.886 7.610 ( 8.282 -1.874 -1.162) 8.570 7.915 ( 7.042 1.615 0.805) 7.269 8.178 ( -4.190 0.819 -2.279) 4.839 8.296 ( 2.955 3.086 1.823) 4.645 8.585 ( 3.037 0.034 7.164) 7.781 8.666 ( -9.628 -1.213 3.436) 10.295 8.676 ( -3.500 1.912 -5.007) 6.401 8.881 ( 18.803 -0.275 7.471) 20.235 9.346 ( 2.458 -3.948 -12.589) 13.420 9.974 ( -2.731 9.071 1.660) 9.618 10.183 ( -1.424 3.017 -0.482) 3.370 10.563 ( -6.858 -9.135 0.623) 11.439 10.813 ( -1.820 -0.840 -5.350) 5.713 10.962 ( 1.925 0.323 -1.879) 2.709 11.176 ( 7.269 -3.168 8.399) 11.551 11.373 ( 2.993 -1.086 -3.626) 4.825 11.575 ( -8.813 3.746 6.354) 11.493 12.097 ( 1.528 1.097 -0.396) 1.922 12.186 ( -2.710 0.629 -4.224) 5.058 15.286 ( 1.850 -0.554 2.260) 2.973 15.468 ( -2.244 0.297 -1.697) 2.829 19.517 ( -1.037 -1.172 -4.461) 4.727 19.938 ( 1.402 3.316 8.279) 9.028 20.628 ( 2.568 -3.352 -5.131) 6.646 20.886 ( -1.630 -2.347 -5.632) 6.315 21.109 ( -9.518 3.419 8.044) 12.922 21.492 ( -12.376 -1.788 2.904) 12.837 22.134 ( 8.990 -1.245 -5.276) 10.498 22.580 ( 13.594 3.652 0.112) 14.077 24.522 ( -1.902 1.131 4.506) 5.020 24.590 ( 1.707 -1.405 -3.192) 3.883 26.988 ( -1.588 1.103 1.399) 2.387 27.034 ( 2.403 -0.450 -1.419) 2.827 ======================= Grid point 159 (68/95) ======================= q-point: (-0.22 -0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( -5.509 -0.000 17.259) 18.117 1.542 ( -17.145 -0.000 -18.164) 24.977 1.982 ( 3.784 0.000 -5.654) 6.804 2.243 ( -2.752 -0.000 11.278) 11.609 2.325 ( -1.005 -0.000 6.938) 7.010 2.358 ( -17.884 -0.000 6.525) 19.037 2.707 ( -7.474 -0.000 -14.444) 16.263 2.753 ( 10.652 0.000 4.227) 11.460 2.916 ( 1.426 0.000 -8.894) 9.007 2.973 ( 11.603 0.000 -0.564) 11.617 3.004 ( 3.500 0.000 8.388) 9.089 3.223 ( -2.336 -0.000 -3.760) 4.426 3.290 ( -2.353 -0.000 7.461) 7.823 3.386 ( -3.365 -0.000 -5.616) 6.547 3.529 ( 2.171 0.000 -6.225) 6.592 3.571 ( -5.797 -0.000 9.902) 11.474 3.707 ( 11.274 0.000 -1.728) 11.406 3.794 ( -1.549 -0.000 0.720) 1.708 3.944 ( -8.300 -0.000 -3.239) 8.910 4.206 ( -0.080 -0.000 4.345) 4.345 4.238 ( -3.055 -0.000 -8.291) 8.836 4.360 ( -1.371 -0.000 1.750) 2.223 4.494 ( 3.472 0.000 -2.765) 4.439 4.783 ( 4.336 0.000 -5.018) 6.631 4.812 ( -5.880 -0.000 6.192) 8.539 4.884 ( 2.815 0.000 0.358) 2.838 5.196 ( -3.884 -0.000 3.970) 5.554 5.197 ( 4.361 0.000 -6.037) 7.448 5.372 ( -7.664 -0.000 1.292) 7.772 5.428 ( 3.802 0.000 -4.822) 6.141 5.536 ( 2.518 0.000 2.655) 3.660 5.717 ( -3.801 -0.000 -3.891) 5.439 5.931 ( -2.105 -0.000 1.298) 2.473 6.312 ( 2.826 0.000 -2.001) 3.463 6.400 ( -1.640 -0.000 6.049) 6.267 6.422 ( 6.996 0.000 -0.209) 6.999 6.876 ( -11.621 -0.000 0.969) 11.662 7.145 ( -1.260 -0.000 -4.277) 4.458 7.564 ( 4.213 0.000 1.927) 4.633 7.586 ( 1.823 0.000 0.701) 1.953 7.936 ( 9.876 0.000 -0.822) 9.910 8.182 ( -2.063 -0.000 -2.232) 3.039 8.334 ( 4.468 0.000 3.487) 5.668 8.592 ( 4.499 0.000 3.887) 5.946 8.643 ( -9.375 -0.000 3.701) 10.080 8.704 ( -6.561 -0.000 -2.914) 7.179 8.878 ( 17.833 0.000 9.368) 20.144 9.303 ( 2.333 0.000 -13.300) 13.503 10.126 ( -5.301 -0.000 11.389) 12.562 10.186 ( 0.639 0.000 -14.798) 14.811 10.450 ( -8.053 -0.000 7.902) 11.282 10.786 ( -0.449 -0.000 -11.001) 11.010 10.975 ( -1.839 -0.000 -1.134) 2.161 11.148 ( 9.993 0.000 11.907) 15.545 11.345 ( 5.621 0.000 -7.490) 9.364 11.622 ( -9.770 -0.000 9.079) 13.337 12.110 ( 3.574 0.000 0.881) 3.681 12.190 ( -3.173 -0.000 -6.387) 7.132 15.282 ( 1.722 0.000 1.651) 2.385 15.470 ( -2.479 -0.000 -1.044) 2.690 19.507 ( -0.536 -0.000 -5.610) 5.636 19.971 ( 1.592 0.000 10.364) 10.486 20.593 ( 1.287 0.000 -4.597) 4.774 20.855 ( -2.523 -0.000 -6.655) 7.117 21.154 ( -11.875 -0.000 9.058) 14.936 21.477 ( -13.218 -0.000 2.810) 13.513 22.117 ( 11.168 0.000 -7.357) 13.373 22.618 ( 14.534 0.000 0.552) 14.545 24.534 ( -2.083 -0.000 6.284) 6.620 24.573 ( 2.365 0.000 -4.605) 5.177 27.001 ( -1.895 -0.000 2.545) 3.173 27.028 ( 3.794 0.000 -2.620) 4.611 ======================= Grid point 160 (69/95) ======================= q-point: (-0.11 -0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( -18.316 -0.955 -16.050) 24.372 1.440 ( -9.790 -7.132 15.024) 19.298 1.986 ( -10.130 7.438 10.345) 16.277 2.111 ( 7.164 2.152 -11.671) 13.863 2.209 ( -7.495 -5.938 -2.212) 9.815 2.304 ( -6.244 -8.098 9.795) 14.160 2.558 ( -5.747 -3.055 -2.886) 7.119 2.898 ( 3.429 -2.245 3.084) 5.129 2.939 ( -1.113 3.898 -1.204) 4.229 3.093 ( 2.558 0.549 4.021) 4.797 3.127 ( -4.619 -0.831 -5.803) 7.464 3.256 ( 1.051 -0.419 5.490) 5.606 3.309 ( 3.384 0.430 -1.169) 3.606 3.349 ( 13.414 -1.736 -3.610) 13.999 3.437 ( -7.109 0.618 12.074) 14.025 3.615 ( 1.309 -3.990 -8.331) 9.330 3.765 ( -2.036 -1.400 -1.479) 2.879 3.800 ( -4.297 -3.250 1.755) 5.666 3.897 ( 7.910 0.039 -3.104) 8.498 4.161 ( -3.434 1.425 -6.410) 7.410 4.204 ( 1.270 2.358 -4.031) 4.840 4.369 ( 3.906 3.922 -0.054) 5.536 4.547 ( 3.842 3.241 -2.469) 5.600 4.643 ( -6.285 4.042 3.358) 8.192 4.879 ( 4.626 0.091 -5.715) 7.354 4.957 ( 6.020 2.896 2.009) 6.976 5.086 ( -7.379 1.570 4.739) 8.909 5.229 ( 0.142 1.802 -2.974) 3.480 5.283 ( -3.031 -3.418 2.305) 5.117 5.482 ( 0.568 -1.473 -2.285) 2.777 5.590 ( 0.616 2.155 1.019) 2.463 5.648 ( 1.926 -2.548 -2.885) 4.304 5.876 ( -4.202 -1.430 -1.841) 4.805 6.279 ( -10.946 -0.308 2.518) 11.236 6.321 ( -0.729 0.234 -2.868) 2.969 6.539 ( 3.267 -1.606 6.241) 7.225 6.691 ( -8.557 -0.606 0.928) 8.629 7.055 ( -4.477 1.039 -0.915) 4.686 7.616 ( -3.151 1.570 1.447) 3.806 7.666 ( 0.269 -0.853 1.501) 1.748 7.969 ( -14.201 1.568 -0.733) 14.306 8.126 ( 12.675 -0.092 -1.094) 12.722 8.339 ( 0.095 3.029 1.174) 3.249 8.581 ( -3.951 3.671 3.544) 6.453 8.650 ( 5.590 2.581 1.538) 6.347 8.733 ( 12.620 -4.901 -2.334) 13.738 9.276 ( 15.637 -0.137 2.637) 15.858 9.335 ( 1.588 -2.969 0.159) 3.371 10.057 ( 3.234 6.784 -3.569) 8.320 10.156 ( -3.334 1.590 -2.211) 4.305 10.301 ( -9.620 -7.724 -0.313) 12.341 10.729 ( -5.725 0.490 -5.171) 7.730 10.935 ( -2.186 -2.974 -3.892) 5.364 11.329 ( 7.320 0.743 10.054) 12.459 11.397 ( -1.598 2.253 3.388) 4.371 11.455 ( -5.874 0.463 0.306) 5.900 12.036 ( -9.968 2.684 -9.809) 14.240 12.121 ( -3.695 -0.663 3.975) 5.468 15.322 ( 2.002 -0.223 3.163) 3.750 15.420 ( -2.524 -0.379 -2.631) 3.666 19.493 ( -0.683 -0.054 -5.685) 5.726 19.958 ( -2.800 1.817 9.633) 10.195 20.658 ( 4.269 -2.412 -5.695) 7.514 20.812 ( -3.020 -2.906 -5.095) 6.597 20.959 ( -8.427 0.738 6.280) 10.535 21.255 ( -11.050 -2.169 2.839) 11.613 22.396 ( 18.826 1.773 -5.978) 19.831 22.910 ( 18.024 2.540 2.631) 18.391 24.476 ( -4.348 0.419 6.921) 8.184 24.589 ( -0.652 -0.472 -4.298) 4.373 26.934 ( -4.961 0.527 1.366) 5.172 27.087 ( 2.998 1.079 -2.167) 3.853 ======================= Grid point 169 (70/95) ======================= q-point: (-0.11 -0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( -12.201 -0.000 -0.728) 12.222 1.145 ( -18.946 -0.000 18.893) 26.756 1.864 ( -9.460 -0.000 -9.803) 13.624 1.952 ( -24.830 -0.000 15.662) 29.357 1.981 ( -12.319 -0.000 -9.601) 15.618 2.272 ( 5.951 0.000 0.574) 5.978 2.461 ( -3.442 -0.000 0.732) 3.519 2.860 ( -5.569 -0.000 4.709) 7.293 2.897 ( -7.408 -0.000 -6.666) 9.966 3.022 ( 4.703 0.000 -0.884) 4.785 3.091 ( -2.664 -0.000 7.948) 8.383 3.287 ( -1.759 -0.000 -4.232) 4.583 3.302 ( -0.318 -0.000 7.905) 7.911 3.407 ( 2.972 0.000 6.499) 7.146 3.487 ( -2.506 -0.000 -17.664) 17.841 3.692 ( 9.817 0.000 -7.449) 12.323 3.784 ( 7.127 0.000 -2.907) 7.697 3.928 ( 14.029 0.000 9.425) 16.901 4.014 ( 4.993 0.000 -3.287) 5.978 4.108 ( -1.094 -0.000 -4.408) 4.541 4.268 ( 4.874 0.000 -3.660) 6.095 4.476 ( -2.303 -0.000 -1.016) 2.517 4.585 ( 4.103 0.000 -0.330) 4.116 4.594 ( -0.062 -0.000 -0.737) 0.740 4.950 ( -3.019 -0.000 1.882) 3.557 5.009 ( 3.326 0.000 -3.550) 4.865 5.063 ( 3.319 0.000 3.327) 4.699 5.253 ( 2.772 0.000 8.348) 8.796 5.257 ( -0.230 -0.000 -4.219) 4.226 5.460 ( -1.419 -0.000 -4.059) 4.300 5.594 ( 3.125 0.000 -2.817) 4.207 5.741 ( 2.193 0.000 -2.609) 3.408 5.812 ( 4.036 0.000 -2.576) 4.788 6.030 ( -13.344 -0.000 1.475) 13.425 6.313 ( -0.385 -0.000 -9.422) 9.429 6.478 ( -11.619 -0.000 8.273) 14.263 6.579 ( -3.805 -0.000 9.663) 10.385 6.955 ( -9.799 -0.000 1.993) 9.999 7.430 ( -10.677 -0.000 6.008) 12.251 7.624 ( -4.261 -0.000 4.719) 6.358 7.853 ( -1.015 -0.000 -1.847) 2.107 8.250 ( 0.744 0.000 -9.796) 9.824 8.426 ( 8.881 0.000 -9.961) 13.345 8.500 ( -6.875 -0.000 11.558) 13.448 8.920 ( 11.658 0.000 6.077) 13.147 8.955 ( 15.667 0.000 2.857) 15.925 9.245 ( -2.464 -0.000 7.082) 7.499 9.422 ( -3.438 -0.000 -11.393) 11.901 10.068 ( -5.195 -0.000 -0.194) 5.198 10.216 ( 9.250 0.000 -4.702) 10.376 10.223 ( 5.965 0.000 -4.286) 7.345 10.587 ( -10.585 -0.000 -0.897) 10.623 10.853 ( -3.742 -0.000 -2.311) 4.398 11.312 ( -8.292 -0.000 7.252) 11.016 11.413 ( 0.067 0.000 -6.670) 6.670 11.441 ( 2.759 0.000 7.704) 8.183 11.825 ( -11.508 -0.000 -12.621) 17.080 12.014 ( -8.081 -0.000 7.292) 10.885 15.354 ( 1.054 0.000 2.904) 3.089 15.371 ( -1.893 -0.000 -2.498) 3.134 19.467 ( -1.785 -0.000 -6.308) 6.556 19.895 ( -5.627 -0.000 9.012) 10.625 20.707 ( -5.834 -0.000 0.709) 5.877 20.726 ( 4.008 0.000 -5.199) 6.565 20.846 ( -4.462 -0.000 0.596) 4.502 21.070 ( -7.141 -0.000 1.151) 7.233 22.802 ( 22.675 0.000 -3.972) 23.020 23.292 ( 21.333 0.000 4.279) 21.758 24.393 ( -5.019 -0.000 9.820) 11.028 24.544 ( -3.394 -0.000 -4.742) 5.832 26.834 ( -5.472 -0.000 -0.614) 5.506 27.154 ( 3.144 0.000 -3.211) 4.493 ======================= Grid point 170 (71/95) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( 3.249 0.000 -18.185) 18.473 1.029 ( -3.249 -0.000 18.185) 18.473 1.142 ( 3.785 0.000 -24.680) 24.969 1.142 ( -3.785 -0.000 24.680) 24.969 2.062 ( -3.092 -0.000 -43.483) 43.593 2.062 ( 3.092 0.000 43.483) 43.593 2.453 ( 4.659 0.000 -7.138) 8.524 2.453 ( -4.659 -0.000 7.138) 8.524 3.081 ( -0.465 -0.000 -8.747) 8.760 3.081 ( 0.465 0.000 8.747) 8.760 3.228 ( 0.251 0.000 -7.321) 7.325 3.228 ( -0.251 -0.000 7.321) 7.325 3.357 ( -6.416 -0.000 -0.472) 6.433 3.357 ( 6.416 0.000 0.472) 6.433 3.533 ( 5.795 0.000 -14.668) 15.772 3.533 ( -5.795 -0.000 14.668) 15.772 4.066 ( 0.827 0.000 -1.814) 1.994 4.066 ( -0.827 -0.000 1.814) 1.994 4.182 ( -5.702 -0.000 -5.631) 8.014 4.182 ( 5.702 0.000 5.631) 8.014 4.423 ( -2.106 -0.000 0.114) 2.109 4.423 ( 2.106 0.000 -0.114) 2.109 4.614 ( -1.138 -0.000 -1.432) 1.830 4.614 ( 1.138 0.000 1.432) 1.830 5.014 ( -6.135 -0.000 -1.861) 6.411 5.014 ( 6.135 0.000 1.861) 6.411 5.121 ( -1.059 -0.000 -1.601) 1.920 5.121 ( 1.059 0.000 1.601) 1.920 5.469 ( -4.726 -0.000 -2.697) 5.442 5.469 ( 4.726 0.000 2.697) 5.442 5.719 ( -0.986 -0.000 -1.940) 2.176 5.719 ( 0.986 0.000 1.940) 2.176 5.997 ( 16.157 0.000 -11.347) 19.743 5.997 ( -16.157 -0.000 11.347) 19.743 6.079 ( 1.342 0.000 -6.986) 7.114 6.079 ( -1.342 -0.000 6.986) 7.114 6.692 ( 3.999 0.000 -2.705) 4.828 6.692 ( -3.999 -0.000 2.705) 4.828 7.453 ( -2.509 -0.000 -8.069) 8.450 7.453 ( 2.509 0.000 8.069) 8.450 7.949 ( -3.869 -0.000 -5.038) 6.352 7.949 ( 3.869 0.000 5.038) 6.352 8.684 ( 7.182 0.000 -8.408) 11.058 8.684 ( -7.182 -0.000 8.408) 11.058 8.704 ( 14.068 0.000 -22.507) 26.542 8.704 ( -14.068 -0.000 22.507) 26.542 9.756 ( -14.452 -0.000 -1.659) 14.547 9.756 ( 14.452 0.000 1.659) 14.547 9.994 ( 20.477 0.000 -6.896) 21.607 9.994 ( -20.477 -0.000 6.896) 21.607 10.249 ( 11.163 0.000 -6.558) 12.947 10.249 ( -11.163 -0.000 6.558) 12.947 10.982 ( -5.145 -0.000 -10.329) 11.540 10.982 ( 5.145 0.000 10.329) 11.540 11.317 ( -9.816 -0.000 -0.935) 9.860 11.317 ( 9.816 0.000 0.935) 9.860 11.780 ( -8.056 -0.000 2.043) 8.311 11.780 ( 8.056 0.000 -2.043) 8.311 15.353 ( -1.974 -0.000 0.385) 2.011 15.353 ( 1.974 0.000 -0.385) 2.011 19.685 ( -13.254 -0.000 1.132) 13.303 19.685 ( 13.254 0.000 -1.132) 13.303 20.662 ( -0.851 -0.000 -4.486) 4.566 20.662 ( 0.851 0.000 4.486) 4.566 20.878 ( -0.779 -0.000 -6.302) 6.350 20.878 ( 0.779 0.000 6.302) 6.350 23.575 ( -6.994 -0.000 -11.590) 13.536 23.575 ( 6.994 0.000 11.590) 13.536 24.372 ( 5.823 0.000 -5.258) 7.846 24.372 ( -5.823 -0.000 5.258) 7.846 26.776 ( -9.637 -0.000 0.915) 9.680 26.776 ( 9.637 0.000 -0.915) 9.680 ======================= Grid point 172 (72/95) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( 1.896 -4.655 1.327) 5.198 1.260 ( 15.570 -7.772 0.267) 17.404 1.294 ( 15.078 -2.241 -0.804) 15.265 1.421 ( 14.365 -11.327 -7.874) 19.916 2.136 ( 12.045 -10.996 -20.550) 26.236 2.271 ( 12.130 -7.840 36.467) 39.223 2.415 ( 1.307 -1.726 -6.896) 7.228 2.471 ( -4.464 -3.275 -1.392) 5.709 3.020 ( -3.245 5.616 -8.367) 10.586 3.099 ( -2.859 3.546 4.735) 6.571 3.147 ( -4.982 2.468 3.404) 6.520 3.235 ( -0.973 -1.682 1.291) 2.333 3.246 ( 0.122 -3.860 -2.730) 4.729 3.392 ( -1.866 -0.100 2.978) 3.516 3.500 ( -0.179 -1.256 10.887) 10.961 3.640 ( 5.495 -1.674 -16.282) 17.265 3.979 ( -11.589 3.481 -2.385) 12.333 4.015 ( -3.725 2.772 1.649) 4.927 4.063 ( -1.650 0.379 -0.987) 1.959 4.211 ( -2.862 0.281 5.381) 6.101 4.351 ( -3.911 6.733 -1.492) 7.928 4.411 ( 0.639 -0.003 -2.344) 2.430 4.548 ( -2.798 6.902 0.770) 7.488 4.609 ( -0.809 1.675 1.424) 2.343 4.938 ( 0.479 2.300 -2.050) 3.118 5.075 ( -5.502 0.230 0.726) 5.554 5.120 ( 4.311 2.620 3.223) 5.987 5.159 ( -0.171 -2.951 -1.502) 3.315 5.394 ( -0.921 0.705 -3.533) 3.719 5.512 ( -0.115 -1.286 -0.474) 1.375 5.610 ( -9.643 0.543 0.456) 9.669 5.746 ( -1.639 0.496 5.684) 5.936 5.789 ( -3.171 -1.646 -0.396) 3.595 5.901 ( -5.021 -4.423 8.365) 10.712 6.101 ( 1.305 -0.975 3.723) 4.064 6.318 ( 13.971 -0.594 -4.176) 14.594 6.755 ( 8.381 5.956 -9.330) 13.884 6.915 ( 9.504 -5.031 -10.950) 15.347 7.440 ( 5.110 4.523 -6.080) 9.140 7.546 ( 7.394 1.991 5.720) 9.557 7.862 ( -5.501 0.506 0.452) 5.542 8.022 ( 2.686 -0.812 7.216) 7.743 8.366 ( -10.315 1.273 9.490) 14.074 8.656 ( 1.129 6.615 -9.315) 11.480 8.846 ( 11.074 -3.020 9.416) 14.847 9.039 ( 10.336 2.662 -8.078) 13.386 9.442 ( -16.409 -8.270 -4.148) 18.838 9.535 ( -21.237 -1.394 1.837) 21.362 9.970 ( 4.206 0.276 -1.492) 4.471 10.174 ( 3.779 3.845 3.812) 6.603 10.341 ( 10.932 -3.022 -2.941) 11.717 10.454 ( 4.944 -0.859 -3.129) 5.914 10.891 ( -3.954 -1.860 -4.671) 6.397 11.094 ( 7.605 2.646 4.119) 9.044 11.197 ( -0.020 -0.864 5.657) 5.723 11.481 ( 7.290 -0.357 -0.354) 7.308 11.638 ( -5.006 3.970 1.142) 6.490 11.943 ( 10.783 2.033 -2.603) 11.277 15.328 ( -1.287 -0.587 1.177) 1.841 15.397 ( 1.622 -1.486 -0.961) 2.401 19.499 ( -5.167 -0.087 -3.997) 6.533 19.881 ( 9.613 5.359 -5.157) 12.155 20.666 ( -1.521 -1.590 5.623) 6.038 20.679 ( 2.223 -1.793 -3.221) 4.305 20.896 ( 1.462 -1.618 -2.508) 3.323 21.028 ( 8.883 -7.614 -7.510) 13.903 23.177 ( -28.193 3.468 2.087) 28.482 23.478 ( -12.511 4.654 11.794) 17.812 24.355 ( 2.766 -0.710 6.589) 7.181 24.475 ( 4.948 1.121 -3.313) 6.060 26.724 ( 3.586 -0.036 1.139) 3.762 26.962 ( 7.928 2.252 5.445) 9.878 ======================= Grid point 173 (73/95) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( -9.027 -6.892 -11.994) 16.518 1.603 ( 8.160 -11.122 11.885) 18.208 1.645 ( 18.576 -6.143 -12.721) 23.337 1.802 ( 13.811 -10.221 8.529) 19.182 2.235 ( -8.746 1.695 -2.095) 9.152 2.473 ( 2.523 -1.278 1.250) 3.092 2.701 ( 11.158 -12.111 -11.414) 20.036 2.730 ( 17.365 -14.297 16.665) 27.994 2.911 ( 3.248 2.575 -3.434) 5.382 2.987 ( 0.239 2.377 -0.616) 2.467 3.068 ( -2.215 5.206 5.419) 7.834 3.213 ( -0.423 -1.925 0.421) 2.016 3.339 ( -2.585 -2.922 1.890) 4.335 3.374 ( 5.105 -3.231 -1.022) 6.127 3.576 ( 0.286 -6.844 2.633) 7.339 3.637 ( -8.962 2.195 -7.865) 12.124 3.777 ( 0.966 -1.255 -3.800) 4.117 3.911 ( -4.393 3.664 2.061) 6.080 4.024 ( -1.691 0.906 1.391) 2.370 4.072 ( -11.120 1.273 -2.906) 11.563 4.189 ( -2.498 7.724 -1.844) 8.324 4.369 ( -4.575 4.952 -0.388) 6.753 4.492 ( 2.008 6.825 1.172) 7.210 4.557 ( 0.453 0.395 2.161) 2.243 4.883 ( -6.828 3.094 2.376) 7.864 5.021 ( 4.704 1.338 -3.605) 6.076 5.071 ( -3.982 5.273 -0.009) 6.607 5.156 ( -3.271 -1.302 2.933) 4.582 5.399 ( 0.947 1.189 -6.078) 6.265 5.513 ( -1.955 -3.699 -5.770) 7.127 5.558 ( 1.151 -2.268 3.380) 4.230 5.612 ( -5.454 2.126 11.032) 12.488 5.810 ( 2.621 -2.088 -1.833) 3.820 6.061 ( 9.664 -3.946 2.778) 10.802 6.172 ( 6.834 1.120 1.865) 7.172 6.528 ( 6.732 -1.956 3.153) 7.687 6.762 ( -0.241 5.665 -5.438) 7.856 6.995 ( 0.745 2.338 -3.169) 4.008 7.582 ( 12.875 0.709 -9.381) 15.946 7.670 ( 8.491 5.772 -3.910) 10.986 7.786 ( 0.625 1.360 2.122) 2.597 8.068 ( 0.135 -1.754 10.552) 10.698 8.278 ( 0.218 4.254 -1.130) 4.407 8.600 ( 0.394 6.370 -4.337) 7.716 8.849 ( -13.418 7.367 -1.100) 15.347 9.044 ( -9.487 -8.056 10.584) 16.337 9.218 ( -4.950 -3.834 1.989) 6.570 9.481 ( 0.817 -9.395 -0.741) 9.460 10.061 ( 0.257 5.051 -3.375) 6.081 10.149 ( 3.200 6.651 -6.837) 10.061 10.370 ( -7.334 -6.643 -5.285) 11.219 10.535 ( 7.994 -0.327 0.252) 8.004 10.871 ( -1.975 -4.040 6.566) 7.958 11.218 ( 3.796 -3.171 4.237) 6.513 11.342 ( 15.256 8.832 -1.719) 17.712 11.542 ( 0.022 5.672 1.610) 5.896 11.610 ( 6.339 -2.764 0.431) 6.928 12.103 ( 8.252 2.196 -2.905) 9.020 15.318 ( 0.071 0.587 2.132) 2.212 15.430 ( -0.047 -2.280 -1.636) 2.807 19.470 ( -0.027 -2.187 -2.994) 3.708 19.936 ( 5.057 8.519 -1.079) 9.965 20.646 ( -3.743 -4.054 5.316) 7.662 20.768 ( 2.593 -5.055 -1.135) 5.793 20.966 ( 4.794 -1.709 -3.718) 6.303 21.254 ( 8.819 -5.507 -10.821) 15.006 22.653 ( -24.708 0.624 5.990) 25.432 23.133 ( -18.134 6.556 8.686) 21.149 24.442 ( 3.995 -0.855 4.134) 5.813 24.533 ( 3.886 2.375 -3.476) 5.730 26.838 ( 7.606 1.303 -1.911) 7.950 27.019 ( 1.655 2.451 4.290) 5.210 ======================= Grid point 174 (74/95) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( 7.205 -9.844 -0.302) 12.203 1.782 ( 1.482 -6.517 6.816) 9.546 1.925 ( -3.073 -3.934 -4.935) 7.020 2.069 ( 11.896 -3.934 -4.419) 13.286 2.211 ( 10.095 -5.358 3.206) 11.870 2.453 ( -5.485 5.135 -1.253) 7.617 2.696 ( -3.842 0.248 -3.361) 5.111 2.849 ( -1.029 3.582 0.154) 3.730 2.939 ( -7.401 3.224 5.058) 9.526 3.071 ( 4.884 -3.179 -0.791) 5.881 3.182 ( -8.672 -2.408 2.816) 9.431 3.227 ( -1.026 -0.364 1.818) 2.119 3.324 ( 3.664 -14.128 5.352) 15.546 3.465 ( 4.653 -3.778 -3.583) 6.982 3.603 ( 2.464 -5.671 0.051) 6.184 3.754 ( 2.779 -5.539 -4.377) 7.587 3.782 ( 0.214 0.277 -3.115) 3.134 3.865 ( -4.355 0.773 -4.022) 5.978 3.888 ( 2.948 -4.216 1.357) 5.321 4.028 ( 2.238 1.072 1.984) 3.178 4.088 ( 0.032 7.982 -0.742) 8.016 4.303 ( 2.323 1.312 0.007) 2.668 4.376 ( -2.154 6.390 0.772) 6.788 4.620 ( 2.170 3.095 -4.485) 5.865 4.769 ( -1.222 2.426 2.682) 3.818 4.891 ( -7.628 5.174 2.282) 9.495 5.065 ( -1.873 1.116 4.040) 4.591 5.129 ( 3.647 1.192 -0.142) 3.839 5.396 ( 0.514 -0.069 -3.553) 3.591 5.521 ( 0.586 1.174 -2.437) 2.768 5.560 ( -1.243 -2.314 3.412) 4.306 5.600 ( 1.221 -0.289 1.535) 1.982 5.912 ( 6.858 -0.668 -1.853) 7.135 6.213 ( 5.403 0.496 2.911) 6.157 6.330 ( 7.389 1.734 -0.971) 7.652 6.551 ( -3.912 -1.112 5.966) 7.220 6.793 ( 8.032 -0.810 -5.671) 9.866 6.996 ( 3.963 2.762 0.718) 4.883 7.642 ( -1.446 6.645 -3.635) 7.711 7.743 ( -2.390 -5.849 -0.742) 6.362 7.935 ( 14.910 5.920 -4.985) 16.799 8.110 ( 0.085 -0.825 1.282) 1.527 8.225 ( 2.545 6.315 0.682) 6.842 8.428 ( -8.421 4.438 5.704) 11.098 8.695 ( 1.095 2.828 -2.796) 4.125 8.798 ( -14.350 -5.255 3.469) 15.671 9.282 ( -2.840 -3.495 3.132) 5.486 9.447 ( -13.860 -3.620 -3.298) 14.700 9.877 ( -5.572 2.401 0.115) 6.068 10.159 ( 3.626 6.150 -5.590) 9.067 10.449 ( 7.916 -3.912 -1.130) 8.902 10.719 ( 8.777 -2.883 -3.257) 9.796 10.883 ( -1.785 -3.193 10.798) 11.400 11.291 ( 0.415 -3.093 4.622) 5.577 11.465 ( 6.163 4.277 -9.346) 11.984 11.496 ( 0.895 6.962 0.172) 7.021 11.813 ( 12.314 -0.223 3.992) 12.947 12.183 ( 2.367 1.301 -2.079) 3.408 15.324 ( 1.569 1.791 2.553) 3.491 15.437 ( -1.548 -2.628 -2.161) 3.737 19.504 ( 0.612 -3.108 -2.551) 4.067 19.924 ( 2.880 7.973 2.334) 8.793 20.624 ( -3.264 -3.919 3.691) 6.296 20.845 ( 0.715 -4.085 0.174) 4.151 21.080 ( 5.367 -0.695 -3.406) 6.395 21.467 ( 10.090 -5.802 -10.713) 15.819 22.276 ( -17.145 -1.052 5.120) 17.924 22.742 ( -16.559 6.483 6.056) 18.786 24.506 ( 2.013 -0.123 1.586) 2.565 24.571 ( 2.895 2.191 -1.698) 4.008 26.938 ( 4.954 2.417 -1.703) 5.770 27.022 ( 0.569 0.626 1.993) 2.165 ======================= Grid point 175 (75/95) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( 10.326 -4.545 3.706) 11.875 1.853 ( 1.969 -1.443 2.985) 3.856 1.913 ( 2.283 -8.642 -3.675) 9.664 2.181 ( -11.730 9.813 -0.855) 15.318 2.300 ( 8.889 -0.650 -6.888) 11.264 2.420 ( 2.619 -4.246 4.401) 6.652 2.537 ( -10.377 6.506 -1.356) 12.322 2.770 ( -3.763 -0.893 3.494) 5.213 2.881 ( 4.405 -1.729 0.474) 4.756 3.009 ( -7.175 0.492 -1.498) 7.346 3.184 ( 4.096 -1.351 -1.929) 4.725 3.220 ( 1.379 -0.477 2.304) 2.727 3.475 ( 0.267 -5.098 -0.156) 5.108 3.574 ( -4.637 5.321 2.204) 7.394 3.625 ( 0.603 -6.505 -0.929) 6.599 3.688 ( -2.346 -6.550 -1.938) 7.222 3.805 ( -0.179 -2.721 1.623) 3.173 3.861 ( 0.530 -2.086 -0.395) 2.188 3.957 ( 1.300 13.820 -0.922) 13.911 4.040 ( 3.717 -1.582 -0.148) 4.043 4.167 ( 2.632 -6.717 2.137) 7.524 4.300 ( 1.441 1.089 0.703) 1.938 4.393 ( 0.709 0.474 -4.359) 4.441 4.572 ( -1.139 1.005 -0.920) 1.776 4.719 ( -1.297 4.095 -0.861) 4.381 4.750 ( -2.197 3.327 1.796) 4.372 5.101 ( 3.194 -2.608 2.694) 4.926 5.177 ( 1.586 0.891 1.109) 2.130 5.419 ( 1.863 -1.057 1.085) 2.401 5.489 ( -1.195 3.579 -3.283) 5.002 5.577 ( -0.648 -2.650 0.480) 2.770 5.618 ( 1.158 1.153 0.040) 1.635 6.055 ( 6.355 -0.589 -1.249) 6.504 6.276 ( 2.008 1.622 0.801) 2.703 6.339 ( -1.364 1.125 2.318) 2.915 6.531 ( -0.636 -0.152 0.023) 0.654 6.974 ( 9.252 -1.110 -4.335) 10.278 7.086 ( 3.161 -1.608 3.070) 4.690 7.545 ( -2.582 2.198 -1.157) 3.583 7.606 ( -9.993 1.476 -0.621) 10.120 7.985 ( -0.093 -0.471 -3.549) 3.581 8.124 ( -1.992 1.885 0.772) 2.849 8.206 ( 0.305 1.275 1.984) 2.378 8.513 ( 15.426 1.416 6.753) 16.899 8.677 ( 2.711 1.831 -0.128) 3.274 8.731 ( -3.105 -1.893 -0.570) 3.681 9.121 ( -13.368 2.467 -15.660) 20.737 9.174 ( -11.049 -4.226 10.518) 15.829 9.862 ( 1.953 0.433 0.304) 2.023 10.163 ( 1.233 1.965 -1.786) 2.928 10.630 ( 6.624 -1.141 0.175) 6.724 10.817 ( -1.974 -2.789 1.960) 3.939 10.930 ( 3.949 -0.703 2.599) 4.779 11.311 ( -0.459 -0.944 1.681) 1.982 11.408 ( -2.138 2.842 -2.974) 4.636 11.531 ( 2.933 1.452 -2.107) 3.892 12.013 ( 8.368 1.101 1.940) 8.660 12.167 ( -2.719 -0.173 -1.058) 2.922 15.339 ( 1.268 1.319 1.470) 2.346 15.428 ( -1.237 -1.553 -1.335) 2.393 19.537 ( 0.239 -1.694 -1.342) 2.175 19.902 ( 1.009 3.511 1.690) 4.026 20.612 ( -1.285 -1.600 1.335) 2.448 20.879 ( 0.108 -1.416 0.165) 1.430 21.146 ( 1.851 0.322 -0.985) 2.122 21.732 ( 12.394 -6.358 -11.218) 17.886 22.012 ( -12.862 2.327 8.641) 15.669 22.458 ( -7.519 2.948 1.992) 8.318 24.527 ( 0.532 0.281 0.245) 0.649 24.592 ( 1.014 0.709 -0.331) 1.281 26.973 ( 1.266 1.061 -0.348) 1.688 27.033 ( 0.574 0.084 0.317) 0.661 ======================= Grid point 181 (76/95) ======================= q-point: ( 0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( -10.895 -0.000 -6.438) 12.655 1.491 ( 13.008 0.000 -1.577) 13.103 1.596 ( 15.688 0.000 11.167) 19.257 1.670 ( 18.485 0.000 -4.840) 19.108 2.277 ( -9.833 -0.000 0.628) 9.853 2.463 ( 7.976 0.000 -0.738) 8.010 2.516 ( 20.485 0.000 -21.482) 29.683 2.581 ( 18.329 0.000 24.322) 30.455 2.986 ( 0.399 0.000 -10.558) 10.566 3.015 ( -3.045 -0.000 0.350) 3.065 3.145 ( -2.733 -0.000 9.542) 9.925 3.190 ( -5.064 -0.000 -0.468) 5.086 3.239 ( 2.386 0.000 4.730) 5.298 3.373 ( 3.905 0.000 -4.125) 5.681 3.496 ( -0.794 -0.000 10.903) 10.932 3.675 ( -6.172 -0.000 -11.517) 13.067 3.766 ( -3.567 -0.000 -4.032) 5.383 3.961 ( -4.100 -0.000 0.986) 4.217 4.031 ( -2.695 -0.000 2.834) 3.911 4.084 ( -12.235 -0.000 -3.613) 12.758 4.268 ( -4.273 -0.000 -4.222) 6.007 4.449 ( -0.049 -0.000 0.749) 0.750 4.556 ( -2.896 -0.000 1.953) 3.493 4.562 ( 0.545 0.000 2.627) 2.682 4.915 ( -8.108 -0.000 2.500) 8.485 5.043 ( 6.638 0.000 -4.401) 7.965 5.111 ( -4.153 -0.000 -0.731) 4.217 5.151 ( -1.932 -0.000 5.732) 6.049 5.439 ( 2.895 0.000 -1.940) 3.485 5.442 ( -4.091 -0.000 -9.523) 10.364 5.513 ( 0.875 0.000 4.486) 4.571 5.625 ( -7.126 -0.000 10.837) 12.970 5.809 ( 4.104 0.000 -5.278) 6.686 6.001 ( 11.625 0.000 4.528) 12.475 6.178 ( 7.418 0.000 2.379) 7.790 6.507 ( 6.110 0.000 2.167) 6.483 6.852 ( -2.983 -0.000 -11.432) 11.815 6.987 ( 2.949 0.000 0.795) 3.054 7.579 ( 6.826 0.000 -7.327) 10.014 7.723 ( 11.259 0.000 -4.169) 12.006 7.809 ( 0.391 0.000 1.811) 1.852 8.047 ( 0.342 0.000 9.804) 9.810 8.330 ( 3.468 0.000 -1.094) 3.637 8.714 ( 0.212 0.000 -8.802) 8.805 8.895 ( -11.682 -0.000 10.706) 15.846 8.972 ( -21.041 -0.000 0.805) 21.057 9.192 ( 5.506 0.000 6.966) 8.879 9.340 ( -0.282 -0.000 -3.355) 3.367 10.154 ( 12.970 0.000 -8.243) 15.368 10.237 ( 2.853 0.000 -6.283) 6.901 10.253 ( -15.350 -0.000 -5.072) 16.167 10.530 ( 4.302 0.000 4.389) 6.146 10.831 ( -0.220 -0.000 1.096) 1.118 11.175 ( 1.338 0.000 8.653) 8.755 11.455 ( 19.732 0.000 3.101) 19.974 11.564 ( 2.157 0.000 -4.520) 5.008 11.602 ( -0.675 -0.000 4.555) 4.604 12.125 ( 7.441 0.000 -3.462) 8.207 15.323 ( 0.759 0.000 2.089) 2.222 15.407 ( 0.214 0.000 -2.101) 2.112 19.448 ( -0.451 -0.000 -3.014) 3.048 20.037 ( 4.842 0.000 -3.771) 6.138 20.592 ( -4.113 -0.000 6.376) 7.587 20.705 ( 1.810 0.000 -1.165) 2.152 20.969 ( 6.416 0.000 -7.443) 9.827 21.192 ( 11.787 0.000 -11.323) 16.344 22.657 ( -27.303 -0.000 11.430) 29.600 23.200 ( -19.237 -0.000 9.595) 21.497 24.430 ( 3.946 0.000 6.146) 7.304 24.559 ( 4.072 0.000 -5.606) 6.929 26.852 ( 8.376 0.000 -2.729) 8.809 27.047 ( 0.221 0.000 6.009) 6.014 ======================= Grid point 182 (77/95) ======================= q-point: ( 0.22 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( 6.708 -6.384 4.921) 10.487 1.704 ( 8.822 -1.033 -0.195) 8.884 1.866 ( -1.105 -1.674 1.040) 2.259 1.958 ( 17.266 -4.837 11.633) 21.374 2.230 ( 10.997 3.673 -11.934) 16.639 2.524 ( -0.018 1.362 -4.869) 5.056 2.656 ( -3.301 -3.382 -7.590) 8.940 2.864 ( 3.926 -5.295 10.611) 12.492 2.936 ( -7.063 0.813 -0.501) 7.127 3.031 ( 2.826 0.644 4.285) 5.173 3.079 ( -4.885 1.023 11.018) 12.096 3.238 ( 4.038 -0.826 -7.020) 8.141 3.254 ( -1.457 -1.189 1.099) 2.178 3.412 ( -1.238 -1.271 -6.893) 7.117 3.521 ( 3.434 -0.986 2.710) 4.484 3.610 ( 4.281 -5.834 0.142) 7.237 3.798 ( -5.251 1.094 -0.740) 5.415 3.830 ( -1.967 -1.606 -4.216) 4.922 3.875 ( -3.397 0.280 -5.613) 6.566 4.036 ( 2.501 0.191 2.669) 3.662 4.240 ( 2.411 4.001 -4.335) 6.373 4.364 ( -1.123 3.847 0.257) 4.016 4.483 ( -4.275 2.493 3.015) 5.795 4.677 ( 8.364 1.795 -0.174) 8.556 4.785 ( -4.127 -0.104 2.663) 4.913 4.981 ( -7.151 3.191 -0.078) 7.831 5.098 ( -3.913 1.364 7.090) 8.212 5.165 ( 5.952 1.898 -2.834) 6.860 5.393 ( -0.259 0.034 -5.644) 5.650 5.450 ( -2.931 -4.343 1.468) 5.441 5.563 ( 1.783 -0.836 4.383) 4.805 5.588 ( 2.335 0.257 0.132) 2.353 5.911 ( 6.915 0.618 -5.668) 8.962 6.183 ( 5.967 -2.096 6.260) 8.899 6.364 ( 10.209 1.124 -1.825) 10.432 6.519 ( -5.611 -1.311 7.235) 9.249 6.800 ( 3.667 1.056 -7.657) 8.555 7.020 ( 1.050 -0.070 2.648) 2.850 7.646 ( -1.694 -2.935 -0.710) 3.462 7.730 ( -4.261 2.123 -3.966) 6.197 8.010 ( 14.493 1.797 -4.940) 15.416 8.096 ( 2.798 -0.449 2.127) 3.543 8.371 ( 0.088 5.935 -0.692) 5.976 8.513 ( -13.696 3.547 4.773) 14.931 8.688 ( -7.935 -4.083 2.095) 9.166 8.751 ( -0.347 0.957 -3.288) 3.441 9.243 ( -6.433 0.385 4.413) 7.810 9.350 ( -4.629 -5.022 0.340) 6.838 9.949 ( -9.540 3.535 0.913) 10.215 10.269 ( 4.894 1.552 -11.457) 12.554 10.405 ( 10.454 2.314 -6.195) 12.370 10.609 ( 1.906 -6.885 5.353) 8.927 10.872 ( 4.286 1.375 3.263) 5.559 11.207 ( -0.736 -3.409 9.456) 10.078 11.536 ( -2.644 1.724 -8.380) 8.955 11.601 ( 3.129 2.992 -0.573) 4.368 11.814 ( 15.530 0.256 7.214) 17.126 12.196 ( 0.595 0.205 -2.832) 2.901 15.352 ( 2.306 0.983 2.889) 3.825 15.397 ( -1.405 -1.261 -2.980) 3.527 19.457 ( 0.563 -1.331 -1.844) 2.343 20.063 ( 0.986 4.530 1.017) 4.747 20.557 ( -1.222 -1.908 2.039) 3.048 20.752 ( 1.290 -3.809 0.605) 4.067 21.109 ( 9.794 1.937 -6.686) 12.016 21.395 ( 10.357 -1.635 -9.942) 14.449 22.242 ( -18.745 -1.489 8.240) 20.530 22.835 ( -18.656 2.526 7.956) 20.438 24.490 ( 1.326 -0.693 4.757) 4.987 24.613 ( 2.863 1.271 -5.151) 6.029 26.979 ( 5.402 1.399 -2.760) 6.225 27.028 ( -1.580 -0.047 3.129) 3.506 ======================= Grid point 183 (78/95) ======================= q-point: ( 0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( 19.316 -6.749 9.525) 22.570 1.803 ( -1.767 -1.934 -5.840) 6.401 1.846 ( 6.158 0.943 3.873) 7.335 2.307 ( 11.974 -2.620 4.751) 13.146 2.355 ( -10.802 5.700 0.577) 12.227 2.379 ( 6.690 5.757 -9.185) 12.739 2.669 ( -0.698 3.974 -3.805) 5.546 2.740 ( -8.537 -1.190 2.175) 8.889 2.852 ( -2.561 -1.099 2.236) 3.573 2.978 ( -7.038 -5.869 3.281) 9.734 3.132 ( 5.670 -3.875 2.298) 7.242 3.235 ( 1.317 1.942 -0.893) 2.510 3.308 ( 3.585 -5.108 1.359) 6.387 3.496 ( 2.589 -4.766 -4.799) 7.242 3.523 ( -3.530 -5.843 -1.322) 6.954 3.642 ( -9.359 0.856 0.079) 9.398 3.730 ( 0.272 -4.077 -0.305) 4.097 3.886 ( 1.994 -3.884 2.491) 5.027 3.924 ( 5.690 -2.669 -5.805) 8.556 4.111 ( 5.314 0.640 3.788) 6.557 4.224 ( 3.105 10.709 -3.721) 11.755 4.372 ( 1.665 3.546 1.129) 4.077 4.413 ( 1.660 1.131 -3.029) 3.634 4.647 ( -1.647 5.311 -0.498) 5.583 4.804 ( -3.393 4.274 1.149) 5.577 4.857 ( -0.284 5.178 -0.218) 5.190 5.049 ( 1.987 -1.812 6.268) 6.820 5.204 ( 1.369 2.033 -0.125) 2.454 5.412 ( 1.264 -0.122 -1.432) 1.914 5.465 ( -1.326 -6.763 0.632) 6.920 5.568 ( -0.743 3.219 -0.756) 3.389 5.635 ( 1.826 0.176 -0.261) 1.853 6.027 ( 4.839 -1.716 -4.138) 6.594 6.264 ( -1.210 -2.206 4.213) 4.908 6.362 ( -5.124 1.061 1.937) 5.580 6.504 ( -0.186 -1.847 0.579) 1.944 6.947 ( 10.840 -1.223 -4.524) 11.810 7.047 ( -0.118 -1.823 4.953) 5.279 7.573 ( -6.546 1.384 0.762) 6.734 7.634 ( -3.468 0.046 -3.016) 4.596 7.966 ( -9.021 -0.830 -3.534) 9.724 8.148 ( -1.160 0.464 0.866) 1.520 8.283 ( -0.488 5.339 2.592) 5.955 8.532 ( 14.497 0.062 6.185) 15.762 8.705 ( -3.929 1.284 -3.807) 5.619 8.733 ( 3.625 1.409 -1.834) 4.300 9.063 ( -14.104 -4.414 13.069) 19.728 9.175 ( -6.829 0.939 -18.320) 19.574 9.884 ( 1.018 1.865 8.070) 8.345 10.276 ( 2.275 8.233 -5.065) 9.931 10.589 ( 9.413 -2.925 -5.138) 11.115 10.698 ( -2.048 -8.214 5.086) 9.876 10.944 ( 4.481 2.672 1.547) 5.442 11.230 ( -2.221 -5.436 5.008) 7.718 11.423 ( -7.047 -0.440 -10.666) 12.791 11.634 ( 4.206 5.546 3.479) 7.781 12.035 ( 7.820 1.249 3.002) 8.469 12.148 ( -5.175 -1.554 -0.390) 5.418 15.347 ( -2.214 -0.358 -2.799) 3.586 15.419 ( 2.928 0.419 2.413) 3.817 19.486 ( 0.666 -2.466 -1.370) 2.899 20.003 ( -2.163 5.027 2.962) 6.223 20.578 ( 1.728 -0.930 -1.563) 2.509 20.820 ( 1.248 -4.091 1.225) 4.449 21.231 ( 7.199 6.816 -3.131) 10.397 21.618 ( 11.859 -5.091 -8.080) 15.226 22.012 ( -9.252 -1.605 5.317) 10.791 22.512 ( -12.956 2.249 5.455) 14.237 24.502 ( -1.457 -1.602 3.555) 4.163 24.629 ( 1.004 1.818 -3.791) 4.322 26.981 ( -1.915 -0.048 1.465) 2.412 27.044 ( 1.479 0.749 -1.732) 2.398 ======================= Grid point 184 (79/95) ======================= q-point: (-0.56 0.11 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( -1.025 6.135 -1.538) 6.407 1.891 ( 1.223 0.218 -0.692) 1.422 1.965 ( 9.959 -6.992 -0.053) 12.168 2.106 ( -3.128 7.332 5.270) 9.556 2.348 ( -5.386 3.359 -0.613) 6.377 2.447 ( 5.711 -0.545 2.811) 6.389 2.529 ( 3.422 5.671 -3.058) 7.296 2.816 ( 6.678 2.851 -0.770) 7.302 2.875 ( -5.951 -2.433 0.504) 6.449 2.965 ( 5.911 -3.780 2.717) 7.524 3.213 ( -1.028 1.933 -1.979) 2.951 3.250 ( 1.117 0.671 1.339) 1.868 3.431 ( -0.913 -6.445 2.143) 6.853 3.473 ( -0.358 -7.662 -4.129) 8.711 3.587 ( 0.259 -6.700 2.004) 6.998 3.604 ( 2.605 -7.037 -1.994) 7.764 3.774 ( -0.361 -2.813 1.835) 3.379 3.879 ( 0.875 3.864 -2.753) 4.824 4.022 ( -0.657 -2.234 -0.235) 2.341 4.121 ( -1.161 12.644 -2.595) 12.960 4.217 ( 5.400 1.644 2.098) 6.022 4.397 ( 2.921 5.946 -5.295) 8.481 4.410 ( 1.471 2.011 2.834) 3.773 4.609 ( 2.209 3.649 0.529) 4.298 4.692 ( -3.947 2.947 -0.557) 4.957 4.754 ( -2.896 3.235 2.205) 4.870 5.123 ( 0.112 -0.021 0.222) 0.250 5.184 ( -1.734 1.292 -1.562) 2.667 5.433 ( 0.395 -1.483 2.929) 3.307 5.461 ( -4.627 2.608 -4.056) 6.683 5.523 ( -0.803 -5.501 0.082) 5.560 5.643 ( -0.024 1.435 1.623) 2.166 6.044 ( -6.173 -1.410 -1.018) 6.414 6.212 ( -4.873 -4.254 1.413) 6.621 6.298 ( -2.945 -3.320 -1.941) 4.844 6.503 ( -1.258 -2.621 1.691) 3.363 6.988 ( -7.095 0.382 3.295) 7.832 7.090 ( -2.967 -1.376 -0.669) 3.338 7.499 ( -6.904 -1.170 2.763) 7.528 7.602 ( 14.159 0.537 -1.693) 14.270 7.956 ( -2.608 -3.376 -0.292) 4.276 8.094 ( -0.997 -1.247 2.205) 2.723 8.241 ( 0.031 4.775 -0.388) 4.791 8.495 ( -16.180 -0.232 -6.413) 17.407 8.632 ( -4.872 -2.795 -3.000) 6.368 8.795 ( 6.599 3.893 -1.557) 7.818 9.047 ( 10.762 -4.062 17.287) 20.764 9.256 ( 15.191 3.253 -13.600) 20.648 9.859 ( -3.447 0.362 7.010) 7.820 10.216 ( -0.403 6.636 0.074) 6.649 10.640 ( -4.643 -0.416 -2.254) 5.178 10.800 ( 3.732 -3.979 -1.052) 5.556 10.945 ( -2.526 0.815 -1.474) 3.036 11.247 ( -1.906 -5.299 -0.534) 5.657 11.316 ( -5.207 -5.173 -6.523) 9.819 11.618 ( -0.395 7.249 7.589) 10.503 11.983 ( -9.664 -2.108 -0.511) 9.905 12.158 ( 1.361 -0.791 1.729) 2.339 15.306 ( -2.593 -1.612 -2.870) 4.191 15.469 ( 3.325 2.155 2.201) 4.532 19.524 ( 0.686 -2.479 0.003) 2.572 19.902 ( -4.299 2.839 0.849) 5.221 20.629 ( 3.576 0.595 -3.295) 4.899 20.872 ( 0.920 -1.970 0.857) 2.337 21.234 ( 2.523 8.580 0.246) 8.946 21.846 ( -8.063 1.537 8.751) 11.998 21.930 ( 14.420 -2.425 -7.543) 16.453 22.397 ( 1.161 -3.267 0.349) 3.485 24.483 ( -3.150 -2.926 2.996) 5.240 24.611 ( -0.732 1.488 -2.962) 3.394 26.944 ( -3.184 -1.547 1.040) 3.690 27.039 ( -0.980 0.449 -1.301) 1.690 ======================= Grid point 185 (80/95) ======================= q-point: (-0.44 0.11 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( -5.343 10.724 -0.366) 11.987 1.884 ( 2.117 3.080 -2.868) 4.711 2.009 ( 1.060 3.905 7.667) 8.670 2.204 ( -1.119 9.820 2.406) 10.172 2.328 ( 9.854 -5.196 -1.791) 11.283 2.394 ( -5.336 9.383 -2.636) 11.111 2.677 ( 8.069 -3.528 -0.287) 8.811 2.724 ( -3.515 -2.122 -4.193) 5.868 2.974 ( 3.466 2.048 2.262) 4.618 3.091 ( -1.102 -1.395 2.398) 2.985 3.142 ( 1.806 -0.534 -2.738) 3.324 3.240 ( 6.251 1.502 1.332) 6.565 3.500 ( -1.113 1.286 3.661) 4.037 3.582 ( 3.037 -7.247 -1.662) 8.032 3.687 ( 0.275 2.151 -0.179) 2.176 3.703 ( 3.140 -8.698 -4.594) 10.326 3.764 ( -5.476 -5.599 2.261) 8.151 3.869 ( -3.044 6.571 3.551) 8.066 3.920 ( 2.088 6.879 -5.850) 9.269 4.020 ( 0.925 3.811 -0.977) 4.042 4.201 ( -6.092 13.151 1.711) 14.594 4.298 ( 0.296 1.650 -1.311) 2.128 4.360 ( -4.425 5.205 2.732) 7.358 4.589 ( -2.479 0.658 4.804) 5.445 4.685 ( 2.199 -4.803 -1.996) 5.647 4.798 ( 6.574 -3.809 -1.443) 7.734 5.064 ( -2.881 0.659 -0.661) 3.028 5.123 ( -2.012 0.624 -4.586) 5.047 5.390 ( -1.391 -0.844 0.887) 1.853 5.465 ( 0.743 -2.219 1.781) 2.940 5.563 ( -0.741 -4.209 -0.935) 4.375 5.622 ( 0.315 2.633 0.932) 2.811 5.918 ( -6.019 -0.415 -0.819) 6.088 6.160 ( -5.752 -3.953 0.105) 6.980 6.287 ( -4.833 -3.613 -1.698) 6.269 6.530 ( 1.258 -3.699 -0.041) 3.908 6.817 ( -9.343 0.757 3.939) 10.167 6.935 ( -10.574 -2.278 -0.863) 10.851 7.491 ( -1.179 -7.304 0.607) 7.424 7.789 ( -18.347 -6.258 7.610) 20.825 7.851 ( 4.056 3.056 -0.081) 5.079 8.119 ( 6.829 -0.253 2.114) 7.153 8.155 ( -8.915 -1.080 -2.786) 9.402 8.354 ( 5.286 -2.407 -7.910) 9.813 8.655 ( 0.194 -1.260 1.005) 1.623 8.898 ( 15.230 4.545 -4.561) 16.535 9.325 ( 8.446 -0.092 2.221) 8.733 9.508 ( 14.211 3.583 1.055) 14.693 9.832 ( 2.039 -3.181 3.690) 5.281 10.123 ( -4.181 3.411 2.622) 5.999 10.512 ( -6.114 2.281 -3.510) 7.410 10.746 ( -9.492 0.198 4.194) 10.379 10.944 ( 3.607 1.578 -13.083) 13.663 11.245 ( -4.705 -5.861 2.289) 7.857 11.325 ( -2.991 -9.440 -2.025) 10.107 11.478 ( -8.909 3.933 6.970) 11.976 11.818 ( -8.701 0.141 -0.026) 8.702 12.147 ( -4.252 -1.969 1.102) 4.813 15.286 ( -1.118 -1.860 -1.576) 2.682 15.496 ( 2.246 3.128 0.755) 3.925 19.548 ( 0.054 0.111 2.478) 2.481 19.807 ( -5.079 -2.368 -2.439) 6.112 20.682 ( 3.634 2.056 -3.295) 5.319 20.891 ( 0.189 0.528 -0.154) 0.581 21.177 ( 0.677 8.751 0.369) 8.785 21.616 ( -9.267 8.381 10.053) 16.037 22.258 ( 16.783 -3.060 -3.965) 17.515 22.595 ( 12.638 -7.933 -3.077) 15.235 24.456 ( -3.696 -4.091 3.116) 6.333 24.567 ( -2.409 1.009 -3.122) 4.070 26.890 ( -4.873 -2.209 0.944) 5.433 27.007 ( -2.380 -0.799 -1.296) 2.825 ======================= Grid point 186 (81/95) ======================= q-point: (-0.33 0.11 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( 7.053 9.951 9.208) 15.282 1.796 ( -11.549 7.744 14.507) 20.095 1.869 ( -4.458 12.982 -8.582) 16.189 2.037 ( -11.869 13.492 -12.961) 22.156 2.266 ( 10.786 5.279 3.880) 12.620 2.492 ( 3.373 0.372 -2.771) 4.381 2.765 ( 3.194 -3.468 2.848) 5.508 2.860 ( 5.543 -3.226 2.255) 6.799 2.913 ( -3.634 -0.716 -9.652) 10.339 2.983 ( -7.159 0.689 1.838) 7.423 3.229 ( -9.513 16.686 -4.568) 19.743 3.293 ( 1.507 2.394 -8.672) 9.122 3.327 ( -8.141 7.458 6.213) 12.669 3.509 ( 0.055 5.034 3.761) 6.284 3.639 ( 6.918 5.257 3.554) 9.388 3.706 ( -2.259 2.355 9.105) 9.672 3.800 ( 1.175 0.276 -6.110) 6.228 3.868 ( 0.476 -3.066 -0.866) 3.222 3.960 ( 1.462 -5.048 2.153) 5.680 3.988 ( 1.302 -2.404 0.380) 2.760 4.091 ( 4.584 -0.263 -3.725) 5.913 4.317 ( 4.072 0.298 1.350) 4.301 4.350 ( 0.859 -4.579 0.778) 4.723 4.544 ( -2.275 -0.915 0.288) 2.469 4.793 ( 3.691 -5.532 -1.161) 6.751 4.945 ( 2.540 -6.271 -1.744) 6.987 5.008 ( -2.340 -0.166 2.360) 3.327 5.164 ( 4.432 -0.629 -1.038) 4.595 5.385 ( -0.945 -0.806 3.673) 3.877 5.522 ( 3.509 -1.985 1.137) 4.189 5.567 ( -1.022 -1.396 -3.166) 3.608 5.607 ( -0.006 1.935 -0.840) 2.110 5.857 ( 0.381 1.159 -1.378) 1.841 6.093 ( -4.706 -2.481 -3.292) 6.256 6.142 ( -9.949 -0.217 0.638) 9.972 6.572 ( -5.981 1.596 -5.325) 8.166 6.668 ( -3.015 -3.967 5.409) 7.354 6.872 ( -2.871 -9.060 1.088) 9.566 7.463 ( -14.700 -10.530 4.022) 18.524 7.562 ( -9.205 -4.103 6.599) 12.046 7.771 ( -3.118 -0.528 1.736) 3.607 8.087 ( -1.392 -0.815 -7.176) 7.355 8.228 ( 4.512 0.535 -0.891) 4.631 8.514 ( 1.198 -2.575 1.999) 3.473 8.719 ( 8.196 -5.238 -0.643) 9.748 9.185 ( 12.353 6.009 -10.807) 17.479 9.326 ( 5.811 6.062 0.322) 8.404 9.616 ( -0.557 3.585 2.140) 4.212 9.999 ( 1.589 -7.700 4.469) 9.044 10.031 ( 1.662 2.667 0.639) 3.207 10.468 ( 4.648 2.435 1.371) 5.423 10.560 ( -7.858 2.379 5.424) 9.840 10.962 ( 2.727 4.115 -12.993) 13.900 11.150 ( -16.669 -8.446 9.329) 20.886 11.265 ( -5.361 -0.421 -0.135) 5.380 11.391 ( -1.480 -8.506 -4.160) 9.584 11.663 ( -6.981 2.428 0.943) 7.451 12.043 ( -9.875 -3.317 2.164) 10.640 15.300 ( 1.149 -1.026 -0.204) 1.554 15.490 ( 0.517 3.411 -0.773) 3.535 19.525 ( -0.768 2.734 3.120) 4.219 19.763 ( -5.199 -7.522 -2.076) 9.377 20.707 ( 1.566 2.364 -1.457) 3.188 20.860 ( -1.797 3.411 -0.263) 3.864 21.090 ( 0.845 10.259 -2.729) 10.649 21.393 ( -6.584 8.213 9.550) 14.213 22.621 ( 20.042 -2.912 0.828) 20.269 22.956 ( 15.443 -10.607 -6.541) 19.844 24.429 ( -3.791 -3.222 3.541) 6.107 24.498 ( -3.840 0.077 -4.204) 5.695 26.808 ( -5.933 -1.518 0.476) 6.143 26.967 ( -3.713 -2.513 -1.687) 4.791 ======================= Grid point 187 (82/95) ======================= q-point: (-0.22 0.11 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( 0.067 9.257 4.649) 10.359 1.427 ( -15.892 13.019 15.138) 25.519 1.559 ( -8.835 15.285 -1.042) 17.685 1.681 ( -10.073 13.938 -10.594) 20.198 2.372 ( 5.821 7.340 -0.243) 9.371 2.538 ( -1.174 5.064 -1.652) 5.455 2.599 ( -3.792 20.381 -24.150) 31.827 2.637 ( -12.213 21.150 16.910) 29.705 2.910 ( 3.073 -2.971 8.286) 9.324 2.997 ( 0.551 -4.199 -7.699) 8.787 3.065 ( 8.103 -4.809 -0.737) 9.451 3.226 ( 0.876 -1.897 2.588) 3.326 3.348 ( -1.461 2.081 -5.195) 5.784 3.405 ( -0.238 3.951 1.397) 4.198 3.593 ( -2.884 7.359 -1.391) 8.025 3.702 ( -4.901 5.303 6.748) 9.883 3.894 ( 8.694 -4.661 4.273) 10.750 3.931 ( 3.570 -5.008 -3.160) 6.914 4.027 ( 3.109 -3.038 1.801) 4.705 4.158 ( 4.571 -11.461 -1.443) 12.423 4.195 ( 2.581 -2.316 -3.628) 5.019 4.340 ( -5.688 -6.032 1.687) 8.461 4.446 ( 6.632 -1.554 1.794) 7.044 4.563 ( 1.235 -1.577 -1.622) 2.577 4.868 ( -0.644 -4.604 1.824) 4.993 5.001 ( -3.038 -6.905 -0.678) 7.575 5.070 ( 6.509 -1.747 -3.362) 7.532 5.202 ( -0.473 0.059 2.728) 2.769 5.383 ( 0.775 -0.192 3.609) 3.697 5.533 ( -3.622 0.036 -7.442) 8.277 5.617 ( 4.375 0.293 4.426) 6.230 5.654 ( 6.118 -4.201 2.525) 7.840 5.895 ( 5.392 3.623 -2.200) 6.859 5.972 ( -2.862 2.557 -4.042) 5.574 6.092 ( -0.527 -2.786 -5.214) 5.936 6.331 ( -15.087 0.804 1.867) 15.224 6.672 ( -1.811 -2.568 0.866) 3.260 6.925 ( -4.075 -5.440 10.583) 12.578 7.328 ( -7.448 -6.262 -0.501) 9.743 7.437 ( -9.622 -7.277 4.734) 12.960 7.839 ( 6.676 -2.140 -2.980) 7.617 8.037 ( -3.777 0.025 -4.883) 6.174 8.332 ( 7.844 -1.414 -6.364) 10.199 8.561 ( 4.976 -1.771 5.505) 7.629 8.798 ( -10.162 -5.313 3.240) 11.916 9.075 ( -9.788 4.258 -8.437) 13.606 9.584 ( 14.672 4.006 -0.971) 15.240 9.616 ( 14.812 6.272 3.732) 16.512 9.975 ( 0.701 0.787 0.749) 1.293 10.093 ( -3.934 -2.807 -3.578) 6.014 10.392 ( -7.885 1.258 3.909) 8.890 10.500 ( -6.768 3.807 8.036) 11.175 10.940 ( -0.153 1.283 -5.475) 5.625 11.030 ( 2.403 -1.685 0.711) 3.020 11.205 ( -2.117 -1.073 -1.441) 2.776 11.489 ( -4.025 -3.541 2.794) 6.045 11.508 ( -0.852 -4.291 -3.274) 5.464 11.867 ( -13.012 -5.074 2.202) 14.139 15.342 ( 2.788 0.640 0.296) 2.876 15.447 ( -1.448 3.156 -1.181) 3.667 19.509 ( 2.067 0.987 3.035) 3.803 19.731 ( -7.374 -7.951 0.415) 10.852 20.694 ( -0.411 1.782 0.025) 1.829 20.756 ( -3.710 5.229 0.819) 6.463 21.028 ( 4.070 10.250 -7.573) 13.378 21.208 ( -5.769 9.332 10.277) 15.033 23.065 ( 21.442 -7.205 4.618) 23.087 23.311 ( 10.169 -11.436 -9.713) 18.126 24.374 ( -3.050 0.561 -0.433) 3.131 24.435 ( -4.072 -2.358 -1.552) 4.955 26.725 ( -2.556 0.058 -1.595) 3.013 26.899 ( -7.173 -3.254 -1.438) 8.007 ======================= Grid point 188 (83/95) ======================= q-point: (-0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( 1.947 10.053 -18.443) 21.095 1.096 ( -1.947 10.053 18.443) 21.095 1.381 ( 1.446 16.189 -23.684) 28.724 1.381 ( -1.446 16.189 23.684) 28.724 2.259 ( -0.473 19.506 -34.432) 39.576 2.259 ( 0.473 19.506 34.432) 39.576 2.494 ( 1.681 4.152 -7.305) 8.569 2.494 ( -1.681 4.152 7.305) 8.569 3.021 ( -2.083 -5.811 -7.319) 9.575 3.021 ( 2.083 -5.811 7.319) 9.575 3.259 ( 1.870 2.851 -3.663) 5.004 3.259 ( -1.870 2.851 3.663) 5.004 3.312 ( -8.077 -2.948 -1.500) 8.728 3.312 ( 8.077 -2.948 1.500) 8.728 3.565 ( 5.017 3.331 -12.663) 14.022 3.565 ( -5.017 3.331 12.663) 14.022 4.009 ( 0.041 -4.994 -3.705) 6.218 4.009 ( -0.041 -4.994 3.705) 6.218 4.172 ( -6.078 -0.967 -5.011) 7.936 4.172 ( 6.078 -0.967 5.011) 7.936 4.334 ( 2.774 -8.642 -2.237) 9.348 4.334 ( -2.774 -8.642 2.237) 9.348 4.560 ( -2.980 -2.416 0.127) 3.838 4.560 ( 2.980 -2.416 -0.127) 3.838 4.958 ( -4.732 -4.426 -1.261) 6.601 4.958 ( 4.732 -4.426 1.261) 6.601 5.168 ( 2.574 1.526 -4.645) 5.525 5.168 ( -2.574 1.526 4.645) 5.525 5.451 ( -4.601 -1.244 -5.026) 6.927 5.451 ( 4.601 -1.244 5.026) 6.927 5.718 ( -1.391 -0.385 -6.413) 6.574 5.718 ( 1.391 -0.385 6.413) 6.574 6.011 ( 0.871 -0.157 -1.544) 1.780 6.011 ( -0.871 -0.157 1.544) 1.780 6.070 ( -2.898 -0.497 -3.274) 4.401 6.070 ( 2.898 -0.497 3.274) 4.401 6.748 ( 10.964 3.660 -10.302) 15.483 6.748 ( -10.964 3.660 10.302) 15.483 7.376 ( -1.758 -7.002 -8.031) 10.799 7.376 ( 1.758 -7.002 8.031) 10.799 7.957 ( -4.143 0.254 -3.455) 5.400 7.957 ( 4.143 0.254 3.455) 5.400 8.583 ( 7.320 -5.422 -8.850) 12.700 8.583 ( -7.320 -5.422 8.850) 12.700 8.766 ( -13.520 2.521 -6.665) 15.283 8.766 ( 13.520 2.521 6.665) 15.283 9.800 ( -10.178 3.616 -2.707) 11.135 9.800 ( 10.178 3.616 2.707) 11.135 9.983 ( 4.602 -0.734 -6.066) 7.650 9.983 ( -4.602 -0.734 6.066) 7.650 10.287 ( 8.156 3.186 -4.736) 9.955 10.287 ( -8.156 3.186 4.736) 9.955 10.995 ( -1.035 1.581 -9.983) 10.160 10.995 ( 1.035 1.581 9.983) 10.160 11.313 ( -9.685 -0.581 -1.614) 9.835 11.313 ( 9.685 -0.581 1.614) 9.835 11.711 ( -6.837 -6.467 -0.926) 9.456 11.711 ( 6.837 -6.467 0.926) 9.456 15.379 ( -0.396 2.154 -2.589) 3.391 15.379 ( 0.396 2.154 2.589) 3.391 19.631 ( -8.382 -4.093 -1.755) 9.492 19.631 ( 8.382 -4.093 1.755) 9.492 20.672 ( -0.033 2.030 -2.858) 3.506 20.672 ( 0.033 2.030 2.858) 3.506 21.008 ( 4.500 10.253 -9.650) 14.781 21.008 ( -4.500 10.253 9.650) 14.781 23.462 ( -7.031 -10.069 -10.892) 16.415 23.462 ( 7.031 -10.069 10.892) 16.415 24.370 ( 1.389 -0.325 -6.044) 6.210 24.370 ( -1.389 -0.325 6.044) 6.210 26.766 ( -6.522 -0.783 1.153) 6.670 26.766 ( 6.522 -0.783 -1.153) 6.670 ======================= Grid point 192 (84/95) ======================= q-point: ( 0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( 22.167 0.000 13.488) 25.948 1.791 ( -2.168 -0.000 -2.662) 3.433 1.873 ( 8.904 0.000 -2.933) 9.375 2.248 ( 11.835 0.000 9.080) 14.917 2.435 ( -8.194 -0.000 -1.683) 8.365 2.550 ( 17.098 0.000 -11.521) 20.617 2.569 ( -1.567 -0.000 -1.926) 2.483 2.779 ( -6.597 -0.000 3.855) 7.641 2.837 ( -14.372 -0.000 -2.739) 14.631 2.851 ( -4.739 -0.000 10.930) 11.913 3.139 ( 5.928 0.000 3.652) 6.963 3.238 ( 0.384 0.000 -11.787) 11.793 3.287 ( 2.488 0.000 4.976) 5.564 3.442 ( -5.169 -0.000 0.336) 5.180 3.455 ( 3.803 0.000 -7.800) 8.678 3.638 ( -3.357 -0.000 0.973) 3.495 3.696 ( -5.891 -0.000 -0.337) 5.901 3.799 ( 4.900 0.000 9.736) 10.900 3.931 ( 4.420 0.000 -12.459) 13.220 4.122 ( 5.419 0.000 4.236) 6.878 4.344 ( 5.896 0.000 -7.812) 9.787 4.399 ( 2.521 0.000 -1.670) 3.024 4.430 ( -2.770 -0.000 3.523) 4.482 4.713 ( -2.101 -0.000 0.613) 2.188 4.853 ( -0.266 -0.000 3.240) 3.251 4.909 ( 2.234 0.000 -3.126) 3.842 5.040 ( -1.799 -0.000 7.655) 7.863 5.255 ( 2.084 0.000 -1.808) 2.759 5.353 ( -3.133 -0.000 3.041) 4.366 5.409 ( 1.847 0.000 -2.704) 3.275 5.613 ( 2.335 0.000 5.518) 5.991 5.629 ( 0.497 0.000 -5.886) 5.907 6.007 ( 3.214 0.000 -6.315) 7.086 6.231 ( -1.880 -0.000 5.673) 5.977 6.373 ( -8.312 -0.000 4.509) 9.456 6.483 ( 1.046 0.000 -1.160) 1.562 6.935 ( 10.804 0.000 -5.068) 11.933 7.027 ( -1.090 -0.000 6.016) 6.114 7.605 ( 0.143 0.000 -0.590) 0.607 7.613 ( -7.089 -0.000 -1.907) 7.341 7.958 ( -13.439 -0.000 -2.407) 13.653 8.151 ( -2.058 -0.000 0.390) 2.095 8.352 ( 0.995 0.000 1.411) 1.726 8.525 ( 11.558 0.000 5.857) 12.957 8.725 ( 1.881 0.000 -4.169) 4.574 8.750 ( -1.848 -0.000 -3.006) 3.528 9.013 ( -12.072 -0.000 14.646) 18.980 9.181 ( -6.094 -0.000 -18.826) 19.788 9.912 ( 0.162 0.000 11.042) 11.043 10.418 ( 8.628 0.000 -15.539) 17.773 10.530 ( -3.331 -0.000 13.909) 14.302 10.576 ( 6.257 0.000 -7.189) 9.531 11.000 ( 6.111 0.000 -2.009) 6.433 11.150 ( -4.112 -0.000 10.678) 11.443 11.414 ( -8.979 -0.000 -12.338) 15.259 11.695 ( 4.783 0.000 4.491) 6.561 12.054 ( 8.810 0.000 4.178) 9.750 12.126 ( -7.875 -0.000 -1.089) 7.950 15.341 ( -3.097 -0.000 -3.813) 4.912 15.426 ( 4.089 0.000 3.210) 5.198 19.460 ( 0.629 0.000 -0.987) 1.170 20.057 ( -3.661 -0.000 3.313) 4.937 20.578 ( 3.675 0.000 -4.345) 5.691 20.763 ( 1.940 0.000 2.573) 3.223 21.330 ( 12.707 0.000 -7.502) 14.757 21.548 ( 6.666 0.000 -1.552) 6.844 21.988 ( -6.881 -0.000 2.345) 7.270 22.537 ( -15.036 -0.000 7.217) 16.679 24.484 ( -1.829 -0.000 3.958) 4.360 24.648 ( 0.637 0.000 -4.288) 4.335 26.979 ( -3.067 -0.000 2.024) 3.674 27.053 ( 1.660 0.000 -2.378) 2.900 ======================= Grid point 193 (85/95) ======================= q-point: ( 0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( 13.505 1.430 5.514) 14.657 1.789 ( 2.075 -2.467 -5.882) 6.708 1.991 ( 5.222 3.059 -1.420) 6.216 2.194 ( -8.450 0.673 6.382) 10.610 2.424 ( 2.409 4.549 -3.201) 6.062 2.523 ( 2.104 6.229 2.140) 6.914 2.603 ( -0.402 0.278 1.712) 1.780 2.773 ( -1.589 -4.509 2.204) 5.265 2.843 ( 9.998 -1.691 -1.985) 10.332 2.876 ( 4.239 -5.115 4.690) 8.132 3.225 ( 4.938 1.364 3.093) 5.985 3.266 ( -1.304 1.720 -2.155) 3.050 3.297 ( -1.390 -4.854 -7.897) 9.373 3.408 ( -3.319 1.852 2.939) 4.805 3.469 ( -0.796 -5.549 -1.931) 5.929 3.526 ( -0.355 -2.327 1.158) 2.623 3.720 ( 2.306 -1.800 -2.427) 3.801 3.894 ( 1.305 -2.229 5.787) 6.338 3.993 ( 3.800 0.564 -9.260) 10.025 4.231 ( 6.630 1.530 0.877) 6.860 4.332 ( -0.904 5.533 1.198) 5.734 4.430 ( 0.249 -0.350 -0.715) 0.835 4.467 ( 5.075 1.501 -5.973) 7.980 4.687 ( 0.903 3.201 -1.438) 3.624 4.780 ( -3.135 3.138 5.124) 6.777 4.843 ( -5.270 3.939 2.291) 6.966 5.126 ( 4.824 0.068 -1.525) 5.060 5.223 ( -2.246 3.486 0.156) 4.150 5.369 ( -0.757 -7.303 -0.063) 7.342 5.430 ( -0.427 0.182 2.287) 2.334 5.537 ( -6.894 3.109 -6.284) 9.833 5.652 ( 0.676 -0.400 3.740) 3.822 6.021 ( -3.039 -0.382 -3.014) 4.297 6.116 ( -8.833 -4.459 1.945) 10.084 6.241 ( -6.329 -1.495 1.713) 6.724 6.450 ( -4.546 -1.952 2.597) 5.587 6.994 ( -3.922 0.215 2.588) 4.704 7.055 ( -3.299 -1.342 -0.772) 3.644 7.500 ( -9.969 0.486 1.310) 10.066 7.621 ( 13.121 1.135 -1.166) 13.221 7.881 ( -1.859 -2.991 0.620) 3.576 8.073 ( -3.885 -0.659 1.001) 4.066 8.360 ( -0.169 5.393 1.120) 5.510 8.501 ( -17.305 0.684 -7.320) 18.802 8.563 ( -4.769 -3.796 -3.241) 6.904 8.858 ( 7.099 1.893 -2.935) 7.912 8.981 ( 10.863 -2.043 17.319) 20.545 9.297 ( 15.720 0.974 -14.036) 21.097 9.878 ( -4.577 1.008 8.592) 9.787 10.389 ( -1.138 9.831 5.044) 11.107 10.576 ( -2.731 -6.848 4.259) 8.515 10.709 ( 7.550 -3.147 -14.481) 16.631 10.996 ( -3.802 4.947 0.368) 6.250 11.130 ( -3.169 -6.944 3.431) 8.368 11.234 ( -8.147 -2.059 -12.013) 14.660 11.753 ( 1.302 5.134 8.370) 9.905 11.928 ( -12.895 -2.928 1.698) 13.332 12.148 ( 1.239 -0.199 0.922) 1.558 15.283 ( -2.859 -0.644 -2.713) 3.994 15.502 ( 4.084 0.943 1.728) 4.533 19.479 ( 0.747 -1.403 -0.101) 1.593 19.959 ( -5.809 1.860 1.858) 6.376 20.652 ( 5.281 1.463 -6.192) 8.268 20.820 ( 2.072 -2.425 2.785) 4.234 21.450 ( 5.405 12.155 -0.590) 13.316 21.695 ( 4.590 -11.259 0.857) 12.189 22.002 ( 7.620 3.671 -1.661) 8.620 22.336 ( -6.031 -2.305 3.552) 7.369 24.438 ( -3.938 -1.281 3.118) 5.183 24.633 ( -1.402 0.585 -3.080) 3.434 26.920 ( -3.787 -0.675 0.957) 3.964 27.046 ( -1.773 0.212 -1.417) 2.280 ======================= Grid point 194 (86/95) ======================= q-point: (-0.56 0.22 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( -2.131 12.391 -3.248) 12.986 1.901 ( 1.263 -2.557 0.455) 2.888 2.079 ( 5.294 3.137 2.947) 6.823 2.173 ( 6.028 -4.585 -0.643) 7.601 2.439 ( 7.628 7.309 0.332) 10.569 2.538 ( 3.940 5.109 4.444) 7.834 2.683 ( -5.224 5.004 -5.880) 9.322 2.732 ( 4.951 -0.123 -1.052) 5.063 2.974 ( 3.048 0.469 6.275) 6.992 3.023 ( 4.824 -4.489 0.163) 6.591 3.176 ( -4.407 1.068 -0.121) 4.536 3.253 ( 0.033 -3.038 1.059) 3.217 3.380 ( 4.283 -6.241 -5.123) 9.140 3.435 ( 3.480 -7.073 4.131) 8.899 3.543 ( -0.854 -4.008 5.792) 7.095 3.572 ( 1.898 -5.529 -3.375) 6.750 3.761 ( 0.356 -0.733 -2.857) 2.971 3.896 ( -2.231 -0.445 2.658) 3.499 4.029 ( 3.438 3.256 -6.051) 7.684 4.229 ( 0.310 10.597 -2.475) 10.887 4.324 ( 1.749 0.607 1.896) 2.650 4.434 ( -0.032 4.759 -0.716) 4.813 4.508 ( 1.946 6.145 -2.578) 6.942 4.620 ( -4.747 3.637 -2.578) 6.512 4.693 ( -4.650 6.150 4.159) 8.761 4.754 ( 4.229 0.685 2.254) 4.841 5.097 ( -4.883 2.760 1.245) 5.745 5.132 ( -4.584 -0.297 -7.540) 8.829 5.375 ( -2.615 -0.407 1.034) 2.841 5.447 ( 1.148 -5.202 -0.435) 5.345 5.450 ( 0.802 -0.893 1.017) 1.573 5.661 ( 0.551 1.262 2.723) 3.051 5.907 ( -5.490 0.094 -1.218) 5.624 6.077 ( -4.829 -4.602 1.081) 6.757 6.178 ( -4.684 -5.837 -2.577) 7.915 6.411 ( -3.361 -7.272 5.226) 9.566 6.822 ( -12.287 0.470 1.640) 12.405 6.909 ( -11.506 -1.148 0.142) 11.564 7.394 ( -2.701 -2.116 -4.464) 5.631 7.683 ( -18.072 -3.727 8.203) 20.193 7.887 ( 1.028 0.361 1.427) 1.795 8.096 ( 7.510 -1.802 1.335) 7.838 8.153 ( -7.828 0.242 -2.701) 8.284 8.363 ( 1.917 3.444 -6.852) 7.906 8.619 ( 1.498 -2.877 -0.110) 3.246 8.971 ( 14.175 2.608 -3.276) 14.780 9.302 ( 14.547 -1.211 4.101) 15.163 9.577 ( 14.714 2.320 -2.236) 15.063 9.780 ( -4.124 -1.079 4.436) 6.152 10.248 ( -4.805 7.567 6.519) 11.084 10.534 ( -5.223 -0.621 -0.932) 5.342 10.740 ( -7.612 0.138 -3.869) 8.540 10.930 ( 2.427 -2.485 -12.302) 12.783 11.122 ( -4.689 -8.337 2.279) 9.833 11.167 ( -3.633 -3.294 -4.166) 6.434 11.553 ( -15.260 3.234 6.569) 16.925 11.809 ( -5.785 -1.156 5.511) 8.073 12.123 ( -3.758 -0.214 -0.484) 3.795 15.255 ( -0.710 -1.140 -0.239) 1.364 15.552 ( 2.749 2.172 -0.751) 3.583 19.512 ( 0.462 -2.441 1.391) 2.848 19.822 ( -6.557 2.148 -1.093) 6.986 20.726 ( 5.003 2.523 -4.322) 7.076 20.876 ( 1.345 -1.714 0.998) 2.397 21.391 ( 2.521 11.789 1.386) 12.135 21.745 ( -5.910 2.340 5.595) 8.468 22.191 ( 15.633 -1.404 -2.790) 15.942 22.434 ( 8.722 -8.278 -0.927) 12.060 24.382 ( -4.237 -2.872 2.643) 5.761 24.585 ( -2.814 0.614 -2.476) 3.798 26.854 ( -4.514 -1.324 0.199) 4.708 26.993 ( -3.671 -0.479 -0.704) 3.768 ======================= Grid point 195 (87/95) ======================= q-point: (-0.44 0.22 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( 7.691 13.404 4.554) 16.111 1.917 ( -1.031 3.705 3.992) 5.543 2.073 ( -0.346 8.078 -1.698) 8.262 2.299 ( -6.163 7.686 -5.910) 11.488 2.394 ( 3.038 6.789 -2.850) 7.965 2.537 ( 6.569 5.275 0.331) 8.431 2.666 ( 6.002 -2.692 2.161) 6.924 2.782 ( -0.436 -1.968 -3.558) 4.089 2.922 ( -4.259 0.213 0.155) 4.267 3.014 ( -5.278 2.153 2.176) 6.102 3.203 ( 5.663 -4.206 -5.053) 8.677 3.402 ( 3.909 -2.993 7.913) 9.320 3.479 ( 1.102 1.512 2.985) 3.523 3.569 ( 2.592 -1.336 -0.426) 2.947 3.602 ( 1.191 -11.984 -2.483) 12.297 3.637 ( -0.776 -5.759 3.374) 6.720 3.753 ( 0.975 0.479 -4.376) 4.508 3.836 ( -2.570 1.639 3.140) 4.376 4.047 ( 2.278 5.295 -5.629) 8.057 4.122 ( 0.532 12.846 -4.553) 13.639 4.198 ( -7.125 14.903 3.199) 16.825 4.341 ( 0.042 3.801 5.834) 6.964 4.403 ( 2.625 7.305 -2.080) 8.036 4.535 ( -1.970 0.953 -1.100) 2.449 4.697 ( 2.747 -3.306 0.746) 4.363 4.836 ( 0.229 -4.368 -1.328) 4.571 5.013 ( -2.148 0.368 1.908) 2.896 5.119 ( 1.627 -4.464 -4.272) 6.389 5.363 ( -0.478 -0.664 1.757) 1.938 5.502 ( 0.250 -3.474 -2.029) 4.031 5.519 ( 4.950 0.802 0.472) 5.037 5.644 ( -1.742 1.520 4.172) 4.770 5.843 ( -1.622 -2.032 -0.972) 2.775 6.019 ( -4.174 -3.583 -0.816) 5.561 6.111 ( -8.497 -4.227 -1.329) 9.583 6.497 ( 1.570 -9.054 3.840) 9.959 6.628 ( -10.675 -2.632 -0.143) 10.995 6.713 ( -9.085 -3.417 -3.122) 10.196 7.277 ( -14.940 -6.954 2.587) 16.681 7.493 ( -5.253 -2.178 0.635) 5.722 7.749 ( -8.204 -1.789 7.335) 11.149 8.045 ( -2.610 -2.523 -1.803) 4.053 8.286 ( 4.219 4.466 -3.690) 7.166 8.470 ( 7.789 -2.210 0.396) 8.106 8.637 ( 1.351 -3.573 -1.603) 4.143 9.286 ( 16.428 4.091 -9.999) 19.662 9.425 ( 3.724 3.467 0.693) 5.135 9.671 ( 0.289 3.126 2.145) 3.803 9.860 ( 3.153 -5.763 3.849) 7.614 10.133 ( 1.535 6.072 1.088) 6.357 10.480 ( -0.364 -0.640 2.131) 2.254 10.592 ( -4.201 0.046 1.133) 4.351 10.969 ( -5.657 -4.091 0.201) 6.984 11.073 ( -4.520 1.497 -5.408) 7.205 11.150 ( -4.387 -9.230 1.939) 10.402 11.292 ( -7.906 -1.804 -2.965) 8.634 11.680 ( -9.784 -1.512 2.382) 10.183 12.011 ( -8.520 0.731 2.261) 8.845 15.282 ( 2.368 -0.772 2.567) 3.577 15.555 ( 0.597 2.969 -3.425) 4.572 19.538 ( -0.478 -1.938 3.232) 3.798 19.687 ( -6.023 0.208 -3.215) 6.831 20.764 ( 2.494 3.522 -0.730) 4.377 20.899 ( 0.266 0.647 -1.348) 1.519 21.322 ( 2.786 11.950 -1.982) 12.430 21.564 ( -6.350 8.282 6.560) 12.327 22.533 ( 16.552 -5.525 1.396) 17.506 22.735 ( 12.332 -11.028 -3.369) 16.883 24.350 ( -2.985 -3.763 2.663) 5.492 24.512 ( -4.072 0.745 -2.917) 5.064 26.782 ( -4.386 -1.040 -0.675) 4.558 26.925 ( -4.718 -1.596 -0.083) 4.981 ======================= Grid point 196 (88/95) ======================= q-point: (-0.33 0.22 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( 5.470 13.607 6.024) 15.854 1.734 ( -9.477 16.210 7.684) 20.288 1.840 ( -8.897 12.997 6.197) 16.926 1.962 ( -8.772 14.296 -17.005) 23.885 2.491 ( 5.343 3.136 3.133) 6.942 2.557 ( -0.238 0.449 -4.886) 4.912 2.820 ( 3.996 -3.208 -6.228) 8.065 2.830 ( 8.065 -1.755 1.329) 8.360 2.910 ( -0.838 1.160 3.278) 3.577 3.012 ( 5.990 -0.048 -0.118) 5.991 3.213 ( -6.608 16.993 -1.435) 18.289 3.285 ( -1.291 4.402 -0.848) 4.665 3.389 ( -0.490 11.786 -2.776) 12.119 3.521 ( -4.581 5.144 4.142) 8.038 3.680 ( -0.712 -4.187 4.035) 5.859 3.766 ( 0.501 -6.509 2.210) 6.892 3.818 ( 1.765 -2.371 -1.604) 3.363 3.858 ( 1.669 0.346 -1.248) 2.113 3.947 ( 1.783 2.646 -3.656) 4.852 4.058 ( 5.253 5.697 -0.316) 7.756 4.099 ( -1.023 -4.529 1.623) 4.918 4.299 ( -3.444 1.299 1.445) 3.954 4.458 ( 6.504 2.814 1.027) 7.161 4.550 ( 3.034 -0.111 -1.821) 3.541 4.766 ( 0.038 -4.903 2.167) 5.361 4.855 ( -3.359 -7.085 -1.742) 8.032 5.031 ( 3.449 -2.193 -1.910) 4.512 5.169 ( -2.033 -3.338 2.190) 4.480 5.370 ( 0.730 -1.267 0.593) 1.578 5.523 ( -3.371 -0.513 -6.949) 7.740 5.565 ( 2.043 -3.174 -2.467) 4.509 5.632 ( 3.175 -0.241 12.258) 12.665 5.902 ( 4.492 -2.704 -0.280) 5.251 6.000 ( -4.451 -0.331 0.074) 4.464 6.011 ( -1.534 -3.885 -3.987) 5.774 6.358 ( -16.107 1.734 -1.245) 16.248 6.598 ( 1.059 -6.142 -0.282) 6.239 6.730 ( -1.417 -12.289 4.455) 13.148 7.169 ( -3.918 -7.999 -9.293) 12.872 7.358 ( -10.950 -0.830 15.419) 18.930 7.772 ( 5.597 -4.426 -4.895) 8.653 8.007 ( -4.947 -2.922 -1.241) 5.878 8.326 ( 4.983 0.909 -3.129) 5.954 8.573 ( 8.144 1.857 4.337) 9.412 8.690 ( -6.838 -5.387 5.268) 10.175 9.162 ( -13.335 4.540 -16.976) 22.059 9.672 ( 9.588 4.396 -0.747) 10.574 9.690 ( 15.734 1.901 5.230) 16.689 9.945 ( 3.563 -3.485 -0.995) 5.082 10.118 ( -2.969 4.242 -2.347) 5.685 10.399 ( -4.754 -0.304 2.342) 5.308 10.574 ( -11.788 2.935 15.568) 19.747 10.893 ( 6.359 -5.074 0.041) 8.136 11.062 ( 4.460 2.410 -10.789) 11.921 11.128 ( -5.267 -5.912 2.497) 8.302 11.334 ( 5.627 -6.019 -3.801) 9.074 11.496 ( -12.313 -2.981 -1.459) 12.752 11.797 ( -14.015 -0.213 4.862) 14.836 15.353 ( 4.442 0.522 4.317) 6.216 15.510 ( -1.891 2.959 -5.051) 6.151 19.531 ( -0.627 0.649 2.807) 2.949 19.607 ( -4.561 -3.918 -2.104) 6.370 20.756 ( 1.340 4.286 0.546) 4.523 20.853 ( -2.685 4.089 -0.487) 4.916 21.256 ( 3.805 11.969 -7.644) 14.702 21.388 ( -4.366 8.784 8.342) 12.877 22.902 ( 14.763 -8.996 6.692) 18.538 23.055 ( 8.046 -13.517 -7.006) 17.220 24.347 ( -1.464 -2.700 4.123) 5.141 24.420 ( -4.255 0.551 -5.042) 6.620 26.725 ( -1.482 -0.006 -2.098) 2.568 26.847 ( -5.911 -1.976 0.928) 6.301 ======================= Grid point 197 (89/95) ======================= q-point: (-0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( 0.394 17.238 -12.174) 21.107 1.384 ( -0.394 17.238 12.174) 21.107 1.685 ( -2.956 14.526 -22.606) 27.033 1.685 ( 2.956 14.526 22.606) 27.033 2.533 ( 1.567 2.557 -5.516) 6.279 2.533 ( -1.567 2.557 5.516) 6.279 2.790 ( -1.083 21.497 -15.095) 26.290 2.790 ( 1.083 21.497 15.095) 26.290 2.941 ( -0.842 2.231 -5.700) 6.179 2.941 ( 0.842 2.231 5.700) 6.179 3.195 ( -3.945 -3.971 -0.081) 5.598 3.195 ( 3.945 -3.971 0.081) 5.598 3.370 ( 4.471 4.478 -9.893) 11.744 3.370 ( -4.471 4.478 9.893) 11.744 3.680 ( -2.780 7.424 -5.690) 9.758 3.680 ( 2.780 7.424 5.690) 9.758 3.880 ( -0.740 -7.706 -4.956) 9.192 3.880 ( 0.740 -7.706 4.956) 9.192 4.106 ( -3.577 -7.926 -0.632) 8.719 4.106 ( 3.577 -7.926 0.632) 8.719 4.190 ( -5.330 -1.055 -3.891) 6.683 4.190 ( 5.330 -1.055 3.891) 6.683 4.548 ( -3.271 0.719 -1.346) 3.610 4.548 ( 3.271 0.719 1.346) 3.610 4.850 ( -3.647 -6.193 -0.665) 7.218 4.850 ( 3.647 -6.193 0.665) 7.218 5.144 ( 3.803 -3.321 -5.578) 7.524 5.144 ( -3.803 -3.321 5.578) 7.524 5.431 ( -2.691 -0.858 -7.076) 7.619 5.431 ( 2.691 -0.858 7.076) 7.619 5.682 ( 3.022 -3.503 -9.112) 10.219 5.682 ( -3.022 -3.503 9.112) 10.219 5.981 ( -1.305 -1.927 -4.339) 4.924 5.981 ( 1.305 -1.927 4.339) 4.924 6.070 ( -2.812 0.343 -6.728) 7.301 6.070 ( 2.812 0.343 6.728) 7.301 6.748 ( 6.337 -4.991 -12.288) 14.699 6.748 ( -6.337 -4.991 12.288) 14.699 7.232 ( 4.426 -5.649 -14.242) 15.948 7.232 ( -4.426 -5.649 14.242) 15.948 7.933 ( -3.238 -2.954 -2.611) 5.102 7.933 ( 3.238 -2.954 2.611) 5.102 8.499 ( 7.179 -2.953 -9.227) 12.058 8.499 ( -7.179 -2.953 9.227) 12.058 8.813 ( -16.690 2.609 -11.570) 20.475 8.813 ( 16.690 2.609 11.570) 20.475 9.863 ( -6.144 2.102 -3.136) 7.211 9.863 ( 6.144 2.102 3.136) 7.211 9.980 ( 3.050 0.668 -1.885) 3.647 9.980 ( -3.050 0.668 1.885) 3.647 10.350 ( 0.721 2.813 -5.074) 5.846 10.350 ( -0.721 2.813 5.074) 5.846 11.036 ( 5.425 1.406 -8.197) 9.929 11.036 ( -5.425 1.406 8.197) 9.929 11.279 ( -10.923 -3.377 -3.613) 11.990 11.279 ( 10.923 -3.377 3.613) 11.990 11.567 ( -8.583 -5.984 0.909) 10.502 11.567 ( 8.583 -5.984 -0.909) 10.502 15.424 ( -2.667 2.180 -6.019) 6.935 15.424 ( 2.667 2.180 6.019) 6.935 19.562 ( -2.503 -2.497 -3.408) 4.911 19.562 ( 2.503 -2.497 3.408) 4.911 20.746 ( -1.967 4.898 -0.263) 5.285 20.746 ( 1.967 4.898 0.263) 5.285 21.219 ( 4.665 10.456 -10.623) 15.618 21.219 ( -4.665 10.456 10.623) 15.618 23.224 ( -5.151 -13.111 -9.733) 17.122 23.224 ( 5.151 -13.111 9.733) 17.122 24.360 ( -1.186 -0.602 -6.523) 6.658 24.360 ( 1.186 -0.602 6.523) 6.658 26.753 ( 3.648 -0.509 -2.349) 4.369 26.753 ( -3.648 -0.509 2.349) 4.369 ======================= Grid point 203 (90/95) ======================= q-point: (-0.67 0.33 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( -1.101 -0.000 -8.906) 8.973 1.810 ( 4.382 0.000 5.266) 6.851 2.117 ( 7.597 0.000 1.145) 7.683 2.136 ( 2.145 0.000 0.529) 2.209 2.494 ( 2.061 0.000 -3.149) 3.764 2.633 ( 6.641 0.000 -2.273) 7.019 2.671 ( -1.311 -0.000 3.865) 4.081 2.776 ( 12.291 0.000 3.753) 12.851 2.975 ( 6.640 0.000 7.811) 10.252 2.985 ( 2.297 0.000 3.122) 3.876 3.151 ( -7.661 -0.000 -6.890) 10.304 3.210 ( -4.470 -0.000 -2.099) 4.939 3.308 ( 2.288 0.000 4.807) 5.323 3.413 ( 4.692 0.000 -3.437) 5.816 3.467 ( -1.458 -0.000 6.959) 7.110 3.527 ( 2.573 0.000 -2.622) 3.674 3.751 ( 1.267 0.000 -4.427) 4.605 3.888 ( -1.004 -0.000 2.460) 2.657 4.069 ( 4.540 0.000 -6.753) 8.137 4.313 ( -2.131 -0.000 2.843) 3.553 4.378 ( -3.726 -0.000 -1.547) 4.034 4.410 ( 9.459 0.000 -1.194) 9.534 4.556 ( 3.893 0.000 -7.870) 8.780 4.712 ( -5.039 -0.000 4.176) 6.544 4.722 ( 0.505 0.000 -1.618) 1.695 4.835 ( 0.233 0.000 4.310) 4.316 5.121 ( -6.548 -0.000 -8.767) 10.942 5.144 ( -9.496 -0.000 5.372) 10.910 5.323 ( 1.340 0.000 -3.121) 3.396 5.423 ( 0.490 0.000 2.081) 2.138 5.444 ( -0.192 -0.000 -0.042) 0.196 5.672 ( 1.136 0.000 2.996) 3.205 5.937 ( -5.240 -0.000 1.507) 5.452 5.983 ( -2.694 -0.000 -3.440) 4.369 6.126 ( -5.860 -0.000 0.078) 5.860 6.316 ( -7.156 -0.000 7.075) 10.063 6.835 ( -15.543 -0.000 1.228) 15.591 6.888 ( -8.558 -0.000 0.019) 8.558 7.381 ( -3.233 -0.000 -7.210) 7.902 7.646 ( -18.672 -0.000 8.893) 20.682 7.886 ( 0.908 0.000 1.785) 2.003 8.072 ( 7.273 0.000 0.003) 7.273 8.156 ( -7.776 -0.000 -2.412) 8.141 8.429 ( 0.604 0.000 -5.502) 5.535 8.566 ( 1.957 0.000 -0.020) 1.957 8.997 ( 13.639 0.000 -1.318) 13.702 9.291 ( 16.559 0.000 3.136) 16.854 9.595 ( 15.159 0.000 -2.523) 15.367 9.778 ( -5.974 -0.000 3.026) 6.697 10.354 ( -8.589 -0.000 12.439) 15.117 10.500 ( -2.363 -0.000 2.328) 3.317 10.755 ( -4.157 -0.000 -17.650) 18.133 10.902 ( -3.572 -0.000 -10.166) 10.775 11.004 ( -2.799 -0.000 5.578) 6.241 11.145 ( -2.184 -0.000 -5.324) 5.755 11.592 ( -18.827 -0.000 4.487) 19.354 11.789 ( -4.530 -0.000 9.532) 10.554 12.126 ( -2.659 -0.000 -1.156) 2.899 15.243 ( -0.536 -0.000 0.361) 0.646 15.575 ( 2.920 0.000 -1.382) 3.231 19.484 ( 0.468 0.000 1.345) 1.424 19.847 ( -6.956 -0.000 -0.907) 7.014 20.763 ( 6.122 0.000 -7.548) 9.719 20.847 ( 1.631 0.000 4.109) 4.421 21.572 ( -1.207 -0.000 8.871) 8.953 21.700 ( 3.404 0.000 -5.316) 6.312 22.244 ( 13.400 0.000 1.650) 13.501 22.290 ( 4.828 0.000 -1.926) 5.199 24.352 ( -4.354 -0.000 2.433) 4.988 24.591 ( -3.007 -0.000 -2.139) 3.690 26.841 ( -4.304 -0.000 -0.122) 4.306 26.989 ( -4.140 -0.000 -0.459) 4.166 ======================= Grid point 205 (91/95) ======================= q-point: (-0.56 0.33 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( 8.700 12.097 0.865) 14.926 1.919 ( 4.887 -3.897 0.754) 6.296 2.197 ( 3.835 3.742 -0.992) 5.449 2.270 ( 6.026 -3.395 1.374) 7.052 2.563 ( 4.075 -0.540 -6.147) 7.395 2.577 ( -5.068 6.607 -2.710) 8.757 2.686 ( -0.547 0.065 -7.387) 7.407 2.874 ( -2.822 8.539 1.870) 9.186 2.913 ( -10.021 -0.847 3.219) 10.559 3.023 ( 1.727 -0.902 5.796) 6.115 3.154 ( 5.602 0.492 2.176) 6.030 3.260 ( 8.442 -8.739 6.169) 13.627 3.380 ( 1.938 -5.257 3.114) 6.411 3.438 ( -0.357 -2.432 1.095) 2.690 3.507 ( 1.434 -4.812 -2.653) 5.679 3.613 ( 6.770 0.952 -0.407) 6.848 3.750 ( 0.012 -0.295 -0.830) 0.881 3.856 ( -2.374 0.716 -0.915) 2.643 4.111 ( 0.883 2.347 -4.154) 4.852 4.277 ( -2.488 -0.415 2.730) 3.717 4.353 ( 4.749 3.280 -2.202) 6.178 4.519 ( 2.085 7.339 -8.287) 11.264 4.595 ( -1.856 5.527 -3.682) 6.896 4.618 ( 2.137 5.981 2.410) 6.793 4.683 ( -1.481 2.736 4.378) 5.371 4.801 ( -2.165 2.504 2.629) 4.227 4.997 ( -5.355 -4.681 -6.218) 9.448 5.004 ( -4.634 -3.299 2.995) 6.428 5.351 ( 0.387 -1.224 -4.023) 4.223 5.459 ( 2.817 0.417 0.563) 2.903 5.546 ( 9.043 0.509 2.654) 9.439 5.668 ( -3.240 0.837 6.043) 6.907 5.823 ( -5.576 1.504 0.550) 5.802 5.938 ( -5.799 -6.444 -2.156) 8.933 6.017 ( -5.991 -1.487 -0.541) 6.196 6.298 ( 0.350 -8.030 6.490) 10.331 6.567 ( -12.209 -1.613 -1.473) 12.402 6.709 ( -10.424 0.459 -4.278) 11.278 7.194 ( -16.060 -1.774 2.160) 16.302 7.481 ( 1.031 0.412 -7.376) 7.459 7.709 ( -13.375 -1.660 13.464) 19.051 8.005 ( -3.745 -1.245 -0.439) 3.971 8.380 ( 7.561 3.581 -3.595) 9.106 8.443 ( 7.584 0.638 0.894) 7.663 8.554 ( -3.041 -4.584 -1.926) 5.828 9.340 ( 20.118 1.185 -4.137) 20.573 9.475 ( 2.131 1.729 -4.510) 5.279 9.711 ( -0.739 -0.252 -3.800) 3.880 9.803 ( 5.888 0.304 7.876) 9.839 10.232 ( -0.626 3.069 4.431) 5.427 10.458 ( -1.861 -1.040 4.319) 4.817 10.573 ( -7.872 -1.119 -5.683) 9.773 10.898 ( -5.714 -2.111 4.257) 7.432 10.994 ( -2.274 -4.825 1.522) 5.547 11.111 ( 1.819 1.199 -12.444) 12.634 11.281 ( -11.720 0.309 0.741) 11.747 11.627 ( -13.699 -2.331 3.272) 14.276 12.045 ( -6.223 1.527 2.831) 7.005 15.271 ( 3.156 -0.264 4.358) 5.387 15.599 ( 0.490 1.188 -4.976) 5.140 19.496 ( -0.174 -1.336 2.879) 3.179 19.712 ( -6.639 1.046 -3.117) 7.408 20.837 ( 3.554 3.390 -1.937) 5.280 20.889 ( 1.972 -1.528 -0.694) 2.590 21.526 ( 0.639 7.101 5.627) 9.083 21.682 ( -3.686 2.640 -1.344) 4.729 22.451 ( 13.475 -0.876 -2.190) 13.680 22.539 ( 11.006 -7.895 1.098) 13.589 24.297 ( -2.303 -1.409 1.874) 3.286 24.522 ( -4.133 0.236 -1.665) 4.462 26.768 ( -3.493 -0.359 -1.361) 3.766 26.904 ( -5.058 -0.546 0.697) 5.135 ======================= Grid point 206 (92/95) ======================= q-point: (-0.44 0.33 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( 7.787 14.083 5.509) 17.009 1.996 ( 2.973 8.351 2.509) 9.212 2.087 ( -8.196 11.900 -2.017) 14.589 2.242 ( -9.656 12.914 -7.109) 17.623 2.435 ( 1.831 -5.480 1.408) 5.947 2.580 ( -8.377 -2.481 -5.688) 10.425 2.696 ( 7.977 -4.458 3.908) 9.939 2.839 ( 1.160 -8.062 -6.450) 10.390 2.877 ( 8.026 6.663 -1.728) 10.574 3.050 ( 1.496 3.086 7.074) 7.862 3.262 ( 3.976 -1.322 -2.023) 4.653 3.389 ( -0.207 0.126 9.575) 9.578 3.469 ( -0.492 -11.540 -2.007) 11.724 3.519 ( -0.085 -3.860 -0.803) 3.944 3.584 ( 1.120 -3.676 2.120) 4.388 3.664 ( -1.148 3.936 -1.340) 4.313 3.786 ( 4.999 -0.594 -5.799) 7.679 3.874 ( 7.482 0.979 7.433) 10.592 4.056 ( -4.284 1.488 -2.524) 5.190 4.174 ( -5.545 7.403 -5.293) 10.657 4.333 ( 1.931 17.956 0.946) 18.084 4.413 ( -0.431 12.372 1.169) 12.435 4.547 ( 6.069 2.833 -0.321) 6.705 4.559 ( 1.052 4.582 -1.479) 4.928 4.698 ( -0.424 -1.905 2.924) 3.516 4.747 ( -3.697 -3.174 -1.954) 5.250 4.971 ( -1.197 -4.436 -0.413) 4.613 5.050 ( -1.462 -8.537 0.050) 8.662 5.356 ( 0.748 -0.048 -4.266) 4.331 5.489 ( 0.396 -1.230 -1.960) 2.347 5.552 ( -6.912 0.119 5.392) 8.767 5.641 ( -0.770 2.261 5.362) 5.870 5.818 ( 6.520 -4.747 0.433) 8.077 5.935 ( -1.821 -6.129 -2.646) 6.920 5.960 ( -1.633 -1.593 1.488) 2.723 6.386 ( -13.542 -0.259 -2.877) 13.847 6.422 ( 0.548 -9.416 6.720) 11.581 6.522 ( -6.282 -6.641 -2.345) 9.438 7.062 ( 0.755 -2.902 -12.442) 12.798 7.384 ( -10.709 3.208 16.199) 19.682 7.670 ( 4.855 -5.646 -6.691) 10.010 7.941 ( -6.192 -3.055 2.933) 7.502 8.368 ( 1.677 3.267 -1.827) 4.102 8.562 ( -2.145 -4.580 0.209) 5.061 8.628 ( 8.563 0.551 8.495) 12.075 9.253 ( -15.323 4.100 -20.238) 25.713 9.702 ( 13.702 0.199 6.494) 15.164 9.745 ( 7.554 1.540 -5.751) 9.618 9.890 ( 5.523 -1.098 2.353) 6.104 10.213 ( -3.375 5.153 -0.311) 6.168 10.380 ( -3.608 -1.756 2.702) 4.837 10.606 ( -8.542 -0.055 13.767) 16.202 10.754 ( 4.006 -7.282 5.628) 10.037 10.998 ( -1.974 -4.360 -1.714) 5.084 11.113 ( -2.156 1.080 -8.845) 9.168 11.282 ( 11.528 0.303 -7.764) 13.902 11.388 ( -15.590 -6.254 -2.032) 16.920 11.846 ( -13.202 3.338 6.590) 15.128 15.362 ( 5.637 0.372 7.361) 9.279 15.559 ( -2.518 1.830 -7.682) 8.289 19.510 ( -0.284 -1.708 3.830) 4.203 19.590 ( -4.708 0.808 -3.888) 6.159 20.845 ( 2.043 4.104 1.389) 4.790 20.911 ( -0.164 1.652 -2.747) 3.210 21.473 ( 1.751 8.795 0.902) 9.013 21.555 ( -3.538 7.529 0.867) 8.364 22.726 ( 10.599 -7.610 1.892) 13.184 22.804 ( 6.775 -10.844 -1.719) 12.902 24.301 ( 0.693 -1.638 1.876) 2.585 24.432 ( -4.857 0.421 -2.048) 5.287 26.725 ( -0.837 -0.030 -2.526) 2.662 26.819 ( -5.015 -0.906 1.913) 5.443 ======================= Grid point 207 (93/95) ======================= q-point: (-0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( -3.132 17.244 -9.237) 19.812 1.736 ( 3.132 17.244 9.237) 19.812 1.968 ( -3.889 13.527 -17.762) 22.663 1.968 ( 3.889 13.527 17.762) 22.663 2.517 ( -1.378 -3.294 -3.899) 5.286 2.517 ( 1.378 -3.294 3.899) 5.286 2.894 ( -0.959 -2.845 -6.255) 6.938 2.894 ( 0.959 -2.845 6.255) 6.938 2.991 ( -5.495 -0.566 0.075) 5.525 2.991 ( 5.495 -0.566 -0.075) 5.525 3.324 ( 0.008 5.568 -4.558) 7.196 3.324 ( -0.008 5.568 4.558) 7.196 3.504 ( -1.167 9.438 -6.422) 11.475 3.504 ( 1.167 9.438 6.422) 11.475 3.613 ( -1.199 -10.926 -3.784) 11.624 3.613 ( 1.199 -10.926 3.784) 11.624 3.921 ( -2.952 6.656 -5.563) 9.163 3.921 ( 2.952 6.656 5.563) 9.163 3.989 ( -1.047 0.087 -3.949) 4.086 3.989 ( 1.047 0.087 3.949) 4.086 4.258 ( -3.608 8.806 -4.219) 10.410 4.258 ( 3.608 8.806 4.219) 10.410 4.576 ( -2.654 1.964 -1.477) 3.617 4.576 ( 2.654 1.964 1.477) 3.617 4.734 ( -0.392 -4.675 -2.099) 5.139 4.734 ( 0.392 -4.675 2.099) 5.139 5.056 ( 2.617 -5.602 -4.825) 7.843 5.056 ( -2.617 -5.602 4.825) 7.843 5.414 ( 1.360 -0.811 -9.544) 9.675 5.414 ( -1.360 -0.811 9.544) 9.675 5.597 ( 5.041 -4.130 -8.359) 10.600 5.597 ( -5.041 -4.130 8.359) 10.600 5.941 ( -1.168 -2.646 -2.952) 4.132 5.941 ( 1.168 -2.646 2.952) 4.132 6.082 ( -10.735 1.003 -5.847) 12.265 6.082 ( 10.735 1.003 5.847) 12.265 6.565 ( 0.777 -11.575 -10.283) 15.502 6.565 ( -0.777 -11.575 10.283) 15.502 7.178 ( 9.451 -0.367 -20.527) 22.601 7.178 ( -9.451 -0.367 20.527) 22.601 7.850 ( 3.614 -4.796 -5.680) 8.266 7.850 ( -3.614 -4.796 5.680) 8.266 8.456 ( 2.835 -1.545 -7.690) 8.340 8.456 ( -2.835 -1.545 7.690) 8.340 8.875 ( -17.446 3.360 -15.400) 23.512 8.875 ( 17.446 3.360 15.400) 23.512 9.871 ( 0.222 -1.190 -6.698) 6.807 9.871 ( -0.222 -1.190 6.698) 6.807 10.012 ( -4.747 2.420 -2.173) 5.754 10.012 ( 4.747 2.420 2.173) 5.754 10.398 ( 5.168 2.054 -6.183) 8.316 10.398 ( -5.168 2.054 6.183) 8.316 10.999 ( -0.639 -5.248 -4.789) 7.133 10.999 ( 0.639 -5.248 4.789) 7.133 11.178 ( -9.222 -5.430 -4.940) 11.787 11.178 ( 9.222 -5.430 4.940) 11.787 11.536 ( 15.756 2.143 -7.409) 17.543 11.536 ( -15.756 2.143 7.409) 17.543 15.462 ( -4.559 1.617 -8.485) 9.766 15.462 ( 4.559 1.617 8.485) 9.766 19.531 ( -1.150 -0.844 -3.743) 4.006 19.531 ( 1.150 -0.844 3.743) 4.006 20.846 ( -1.849 4.617 -2.026) 5.370 20.846 ( 1.849 4.617 2.026) 5.370 21.419 ( 1.845 9.425 -9.248) 13.333 21.419 ( -1.845 9.425 9.248) 13.333 22.964 ( -1.642 -12.422 -9.712) 15.853 22.964 ( 1.642 -12.422 9.712) 15.853 24.349 ( -2.167 -0.404 -4.825) 5.305 24.349 ( 2.167 -0.404 4.825) 5.305 26.745 ( 3.136 -0.266 -2.887) 4.270 26.745 ( -3.136 -0.266 2.887) 4.270 ======================= Grid point 215 (94/95) ======================= q-point: (-0.56 0.44 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.968 ( 5.905 0.000 -0.193) 5.908 2.066 ( 12.357 0.000 5.771) 13.638 2.245 ( -4.981 -0.000 -0.723) 5.033 2.293 ( 1.588 0.000 -0.722) 1.745 2.479 ( -12.011 -0.000 -13.831) 18.319 2.491 ( -12.455 -0.000 7.702) 14.644 2.672 ( 7.449 0.000 -13.198) 15.155 2.704 ( 0.368 0.000 4.297) 4.313 2.976 ( 4.802 0.000 -4.008) 6.255 3.078 ( 2.182 0.000 9.788) 10.029 3.251 ( 2.495 0.000 2.269) 3.372 3.330 ( 0.028 0.000 -4.150) 4.150 3.360 ( -0.278 -0.000 14.154) 14.157 3.482 ( -0.440 -0.000 -3.146) 3.177 3.540 ( 10.991 0.000 5.524) 12.301 3.664 ( -1.783 -0.000 -6.665) 6.899 3.815 ( -0.765 -0.000 -5.291) 5.346 3.877 ( 11.245 0.000 8.105) 13.861 4.074 ( -5.054 -0.000 -4.965) 7.085 4.219 ( -4.133 -0.000 -0.973) 4.246 4.507 ( 8.675 0.000 -1.217) 8.760 4.576 ( 0.613 0.000 -3.873) 3.921 4.638 ( 2.707 0.000 -1.578) 3.133 4.678 ( -0.697 -0.000 5.301) 5.347 4.705 ( 2.152 0.000 -4.220) 4.737 4.730 ( -6.859 -0.000 1.830) 7.099 4.874 ( -2.999 -0.000 -6.046) 6.749 4.901 ( -3.934 -0.000 6.570) 7.658 5.354 ( 1.259 0.000 -9.404) 9.488 5.490 ( -3.071 -0.000 8.977) 9.488 5.557 ( -5.260 -0.000 7.274) 8.977 5.685 ( -10.454 -0.000 -5.269) 11.706 5.769 ( 12.292 0.000 1.301) 12.361 5.818 ( 0.399 0.000 0.095) 0.410 5.950 ( -1.029 -0.000 2.196) 2.426 6.285 ( 0.824 0.000 6.930) 6.979 6.394 ( -5.157 -0.000 -4.502) 6.846 6.467 ( -15.943 -0.000 -0.557) 15.953 7.036 ( 2.663 0.000 -13.610) 13.868 7.443 ( -14.867 -0.000 21.110) 25.820 7.587 ( 8.732 0.000 -12.772) 15.472 7.907 ( -6.792 -0.000 4.937) 8.397 8.437 ( -2.867 -0.000 -6.283) 6.906 8.476 ( 0.059 0.000 5.681) 5.681 8.639 ( 11.730 0.000 7.390) 13.864 9.299 ( -16.334 -0.000 -20.951) 26.566 9.703 ( 14.051 0.000 6.103) 15.320 9.747 ( 5.609 0.000 -9.311) 10.870 9.891 ( 5.544 0.000 5.198) 7.600 10.312 ( -12.560 -0.000 2.491) 12.804 10.322 ( 5.940 0.000 1.727) 6.186 10.584 ( 2.371 0.000 9.174) 9.475 10.682 ( -6.868 -0.000 9.583) 11.789 10.954 ( -0.368 -0.000 -1.421) 1.468 11.131 ( -3.419 -0.000 -9.042) 9.667 11.295 ( 13.916 0.000 -8.954) 16.548 11.309 ( -17.451 -0.000 -1.294) 17.499 11.884 ( -13.071 -0.000 6.705) 14.690 15.366 ( 6.078 0.000 8.425) 10.389 15.578 ( -2.790 -0.000 -8.569) 9.012 19.492 ( 0.343 0.000 4.072) 4.086 19.600 ( -5.293 -0.000 -4.306) 6.823 20.895 ( 1.178 0.000 4.202) 4.364 20.922 ( 1.773 0.000 -5.998) 6.255 21.568 ( 0.276 0.000 9.459) 9.463 21.642 ( -2.505 -0.000 -7.016) 7.449 22.651 ( 8.807 0.000 -10.485) 13.693 22.673 ( 6.751 0.000 10.342) 12.351 24.284 ( 1.517 0.000 1.287) 1.990 24.436 ( -5.036 -0.000 -1.178) 5.172 26.725 ( -0.636 -0.000 -2.723) 2.796 26.810 ( -4.712 -0.000 2.224) 5.211 ======================= Grid point 217 (95/95) ======================= q-point: (-0.44 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( -6.735 11.039 -6.742) 14.583 2.035 ( 6.735 11.039 6.742) 14.583 2.188 ( -4.296 7.315 -14.278) 16.608 2.188 ( 4.296 7.315 14.278) 16.608 2.419 ( -2.568 -5.950 -3.596) 7.411 2.419 ( 2.568 -5.950 3.596) 7.411 2.774 ( -1.501 -4.807 -8.715) 10.065 2.774 ( 1.501 -4.807 8.715) 10.065 3.047 ( 4.109 3.007 -6.199) 8.022 3.047 ( -4.109 3.007 6.199) 8.022 3.309 ( 3.491 -4.236 -2.339) 5.967 3.309 ( -3.491 -4.236 2.339) 5.967 3.444 ( -4.825 -2.603 -2.892) 6.198 3.444 ( 4.825 -2.603 2.892) 6.198 3.628 ( -0.161 1.832 -5.505) 5.804 3.628 ( 0.161 1.832 5.505) 5.804 3.907 ( -5.823 -1.401 0.368) 6.000 3.907 ( 5.823 -1.401 -0.368) 6.000 4.092 ( -8.084 2.663 -3.536) 9.217 4.092 ( 8.084 2.663 3.536) 9.217 4.549 ( -0.618 14.623 -6.805) 16.141 4.549 ( 0.618 14.623 6.805) 16.141 4.616 ( -1.665 1.708 -0.550) 2.448 4.616 ( 1.665 1.708 0.550) 2.448 4.688 ( 2.947 0.933 -2.929) 4.259 4.688 ( -2.947 0.933 2.929) 4.259 4.909 ( 1.613 -9.154 -6.690) 11.452 4.909 ( -1.613 -9.154 6.690) 11.452 5.398 ( 4.469 -0.703 -11.966) 12.792 5.398 ( -4.469 -0.703 11.966) 12.792 5.553 ( 0.115 -0.222 -4.192) 4.199 5.553 ( -0.115 -0.222 4.192) 4.199 5.864 ( -1.296 -4.033 -0.290) 4.246 5.864 ( 1.296 -4.033 0.290) 4.246 6.113 ( -15.238 1.740 -4.004) 15.851 6.113 ( 15.238 1.740 4.004) 15.851 6.369 ( -1.105 -6.272 -8.378) 10.524 6.369 ( 1.105 -6.272 8.378) 10.524 7.189 ( 13.003 0.777 -22.309) 25.834 7.189 ( -13.003 0.777 22.309) 25.834 7.770 ( 8.976 -2.556 -8.935) 12.920 7.770 ( -8.976 -2.556 8.935) 12.920 8.436 ( 2.726 -0.504 -8.235) 8.689 8.436 ( -2.726 -0.504 8.235) 8.689 8.929 ( -18.449 1.615 -16.554) 24.839 8.929 ( 18.449 1.615 16.554) 24.839 9.839 ( 1.036 -1.274 -7.975) 8.142 9.839 ( -1.036 -1.274 7.975) 8.142 10.059 ( -11.392 1.626 0.466) 11.517 10.059 ( 11.392 1.626 -0.466) 11.517 10.427 ( 7.070 0.722 -5.975) 9.284 10.427 ( -7.070 0.722 5.975) 9.284 10.892 ( -10.362 -3.558 -6.656) 12.819 10.892 ( 10.362 -3.558 6.656) 12.819 11.098 ( -0.151 -2.261 -4.704) 5.222 11.098 ( 0.151 -2.261 4.704) 5.222 11.587 ( 17.514 1.828 -8.669) 19.627 11.587 ( -17.514 1.828 8.669) 19.627 15.485 ( -5.552 0.627 -9.807) 11.287 15.485 ( 5.552 0.627 9.807) 11.287 19.522 ( -2.452 -0.160 -4.395) 5.035 19.522 ( 2.452 -0.160 4.395) 5.035 20.912 ( -1.067 1.805 -4.510) 4.974 20.912 ( 1.067 1.805 4.510) 4.974 21.570 ( -1.219 4.743 -8.777) 10.051 21.570 ( 1.219 4.743 8.777) 10.051 22.768 ( 0.875 -5.953 -11.066) 12.596 22.768 ( -0.875 -5.953 11.066) 12.596 24.344 ( -3.694 -0.117 -1.914) 4.162 24.344 ( 3.694 -0.117 1.914) 4.162 26.742 ( 2.703 -0.096 -3.057) 4.082 26.742 ( -2.703 -0.096 3.057) 4.082 =================== 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 3/23328 10.0 699.717 925.411 962.019 -0.000 51.062 -0.000 3/23328 20.0 122.274 145.093 127.337 -0.000 10.905 -0.000 3/23328 30.0 45.461 53.236 46.416 -0.000 3.868 -0.000 3/23328 40.0 24.390 28.405 24.987 -0.000 2.010 -0.000 3/23328 50.0 15.819 18.388 16.260 -0.000 1.261 -0.000 3/23328 60.0 11.477 13.311 11.810 -0.000 0.882 -0.000 3/23328 70.0 8.949 10.337 9.200 -0.000 0.661 -0.000 3/23328 80.0 7.331 8.414 7.516 -0.000 0.520 -0.000 3/23328 90.0 6.219 7.082 6.354 -0.000 0.423 -0.000 3/23328 100.0 5.413 6.112 5.508 -0.000 0.353 -0.000 3/23328 110.0 4.804 5.375 4.867 -0.000 0.301 -0.000 3/23328 120.0 4.328 4.799 4.366 -0.000 0.260 -0.000 3/23328 130.0 3.945 4.337 3.964 -0.000 0.228 -0.000 3/23328 140.0 3.630 3.958 3.633 -0.000 0.202 -0.000 3/23328 150.0 3.367 3.642 3.356 -0.000 0.181 -0.000 3/23328 160.0 3.143 3.375 3.122 -0.000 0.163 -0.000 3/23328 170.0 2.950 3.145 2.920 -0.000 0.148 -0.000 3/23328 180.0 2.781 2.947 2.744 -0.000 0.136 -0.000 3/23328 190.0 2.633 2.773 2.590 -0.000 0.125 -0.000 3/23328 200.0 2.501 2.619 2.453 -0.000 0.115 -0.000 3/23328 210.0 2.383 2.483 2.331 -0.000 0.107 -0.000 3/23328 220.0 2.277 2.360 2.221 -0.000 0.099 -0.000 3/23328 230.0 2.180 2.250 2.121 -0.000 0.093 -0.000 3/23328 240.0 2.092 2.150 2.031 -0.000 0.087 -0.000 3/23328 250.0 2.012 2.059 1.948 -0.000 0.082 -0.000 3/23328 260.0 1.938 1.976 1.873 -0.000 0.077 -0.000 3/23328 270.0 1.869 1.899 1.803 -0.000 0.073 -0.000 3/23328 280.0 1.806 1.828 1.738 -0.000 0.069 -0.000 3/23328 290.0 1.747 1.763 1.678 -0.000 0.065 -0.000 3/23328 300.0 1.691 1.702 1.622 -0.000 0.062 -0.000 3/23328 310.0 1.640 1.646 1.570 -0.000 0.059 -0.000 3/23328 320.0 1.591 1.593 1.522 -0.000 0.057 -0.000 3/23328 330.0 1.546 1.544 1.476 -0.000 0.054 -0.000 3/23328 340.0 1.503 1.498 1.433 -0.000 0.052 -0.000 3/23328 350.0 1.463 1.454 1.392 -0.000 0.050 -0.000 3/23328 360.0 1.424 1.413 1.354 -0.000 0.048 -0.000 3/23328 370.0 1.388 1.374 1.318 -0.000 0.046 -0.000 3/23328 380.0 1.353 1.338 1.284 -0.000 0.044 -0.000 3/23328 390.0 1.321 1.303 1.251 -0.000 0.043 -0.000 3/23328 400.0 1.290 1.270 1.220 -0.000 0.041 -0.000 3/23328 410.0 1.260 1.239 1.191 -0.000 0.040 -0.000 3/23328 420.0 1.231 1.209 1.163 -0.000 0.039 -0.000 3/23328 430.0 1.204 1.181 1.137 -0.000 0.037 -0.000 3/23328 440.0 1.178 1.154 1.111 -0.000 0.036 -0.000 3/23328 450.0 1.154 1.128 1.087 -0.000 0.035 -0.000 3/23328 460.0 1.130 1.104 1.064 -0.000 0.034 -0.000 3/23328 470.0 1.107 1.080 1.041 -0.000 0.033 -0.000 3/23328 480.0 1.085 1.058 1.020 -0.000 0.032 -0.000 3/23328 490.0 1.064 1.036 0.999 -0.000 0.031 -0.000 3/23328 500.0 1.044 1.015 0.980 -0.000 0.030 -0.000 3/23328 510.0 1.024 0.995 0.961 -0.000 0.030 -0.000 3/23328 520.0 1.005 0.976 0.943 -0.000 0.029 -0.000 3/23328 530.0 0.987 0.958 0.925 -0.000 0.028 -0.000 3/23328 540.0 0.970 0.940 0.908 -0.000 0.028 -0.000 3/23328 550.0 0.953 0.923 0.892 -0.000 0.027 -0.000 3/23328 560.0 0.936 0.907 0.876 -0.000 0.026 -0.000 3/23328 570.0 0.921 0.891 0.861 -0.000 0.026 -0.000 3/23328 580.0 0.905 0.875 0.846 -0.000 0.025 -0.000 3/23328 590.0 0.891 0.860 0.832 -0.000 0.025 -0.000 3/23328 600.0 0.876 0.846 0.819 -0.000 0.024 -0.000 3/23328 610.0 0.863 0.832 0.805 -0.000 0.024 -0.000 3/23328 620.0 0.849 0.819 0.792 -0.000 0.023 -0.000 3/23328 630.0 0.836 0.806 0.780 -0.000 0.023 -0.000 3/23328 640.0 0.824 0.793 0.768 -0.000 0.022 -0.000 3/23328 650.0 0.811 0.781 0.756 -0.000 0.022 -0.000 3/23328 660.0 0.799 0.769 0.745 -0.000 0.021 -0.000 3/23328 670.0 0.788 0.758 0.734 -0.000 0.021 -0.000 3/23328 680.0 0.777 0.747 0.723 -0.000 0.021 -0.000 3/23328 690.0 0.766 0.736 0.713 -0.000 0.020 -0.000 3/23328 700.0 0.755 0.725 0.703 -0.000 0.020 -0.000 3/23328 710.0 0.745 0.715 0.693 -0.000 0.020 -0.000 3/23328 720.0 0.735 0.705 0.684 -0.000 0.019 -0.000 3/23328 730.0 0.725 0.696 0.674 -0.000 0.019 -0.000 3/23328 740.0 0.715 0.686 0.665 -0.000 0.019 -0.000 3/23328 750.0 0.706 0.677 0.657 -0.000 0.018 -0.000 3/23328 760.0 0.697 0.668 0.648 -0.000 0.018 -0.000 3/23328 770.0 0.688 0.660 0.640 -0.000 0.018 -0.000 3/23328 780.0 0.680 0.651 0.632 -0.000 0.018 -0.000 3/23328 790.0 0.671 0.643 0.624 -0.000 0.017 -0.000 3/23328 800.0 0.663 0.635 0.616 -0.000 0.017 -0.000 3/23328 810.0 0.655 0.627 0.608 -0.000 0.017 -0.000 3/23328 820.0 0.647 0.620 0.601 -0.000 0.017 -0.000 3/23328 830.0 0.640 0.612 0.594 -0.000 0.016 -0.000 3/23328 840.0 0.632 0.605 0.587 -0.000 0.016 -0.000 3/23328 850.0 0.625 0.598 0.580 -0.000 0.016 -0.000 3/23328 860.0 0.618 0.591 0.573 -0.000 0.016 -0.000 3/23328 870.0 0.611 0.584 0.567 -0.000 0.015 -0.000 3/23328 880.0 0.604 0.577 0.560 -0.000 0.015 -0.000 3/23328 890.0 0.598 0.571 0.554 -0.000 0.015 -0.000 3/23328 900.0 0.591 0.565 0.548 -0.000 0.015 -0.000 3/23328 910.0 0.585 0.558 0.542 -0.000 0.015 -0.000 3/23328 920.0 0.578 0.552 0.536 -0.000 0.015 -0.000 3/23328 930.0 0.572 0.546 0.530 -0.000 0.014 -0.000 3/23328 940.0 0.566 0.541 0.525 -0.000 0.014 -0.000 3/23328 950.0 0.561 0.535 0.519 -0.000 0.014 -0.000 3/23328 960.0 0.555 0.529 0.514 -0.000 0.014 -0.000 3/23328 970.0 0.549 0.524 0.509 -0.000 0.014 -0.000 3/23328 980.0 0.544 0.519 0.504 -0.000 0.014 -0.000 3/23328 990.0 0.538 0.513 0.499 -0.000 0.013 -0.000 3/23328 1000.0 0.533 0.508 0.494 -0.000 0.013 -0.000 3/23328 Thermal conductivity related properties were written into "kappa-m994.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:45:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|