----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 11:47:34]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.711424210000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.939443519999999 0.000000000000000 c 0.000000000000000 0.000000000000000 13.259580710000000 Atomic positions (fractional): *1 Na 0.81648523631396 0.00430550091153 0.42664795400352 22.990 *2 Na 0.03587625560356 0.75000000000000 0.22189053626462 22.990 3 Na 0.46412374439644 0.25000000000000 0.72189053626462 22.990 4 Na 0.31648523631397 0.49569449908847 0.07335204599648 22.990 5 Na 0.18351476368604 0.50430550091153 0.57335204599648 22.990 6 Na 0.68351476368604 0.50430550091153 0.92664795400352 22.990 7 Na 0.96412374439644 0.25000000000000 0.77810946373538 22.990 8 Na 0.31648523631397 0.00430550091153 0.07335204599648 22.990 9 Na 0.18351476368604 0.99569449908847 0.57335204599648 22.990 10 Na 0.68351476368604 0.99569449908847 0.92664795400352 22.990 11 Na 0.53587625560356 0.75000000000000 0.27810946373538 22.990 12 Na 0.81648523631396 0.49569449908847 0.42664795400352 22.990 *13 P 0.75295547087699 0.93282147097591 0.67119253946202 30.974 *14 P 0.02167067994353 0.75000000000000 0.96167016038099 30.974 15 P 0.52167067994353 0.75000000000000 0.53832983961901 30.974 16 P 0.25295547087699 0.56717852902409 0.82880746053798 30.974 17 P 0.47832932005647 0.25000000000000 0.46167016038100 30.974 18 P 0.24704452912301 0.43282147097591 0.32880746053798 30.974 19 P 0.24704452912301 0.06717852902409 0.32880746053798 30.974 20 P 0.74704452912301 0.06717852902409 0.17119253946202 30.974 21 P 0.75295547087699 0.56717852902409 0.67119253946202 30.974 22 P 0.74704452912301 0.43282147097591 0.17119253946202 30.974 23 P 0.97832932005647 0.25000000000000 0.03832983961900 30.974 24 P 0.25295547087699 0.93282147097591 0.82880746053798 30.974 *25 O 0.13838568977634 0.75000000000000 0.05243980380488 15.999 26 O 0.36161431022367 0.25000000000000 0.55243980380488 15.999 *27 O 0.57059134368361 0.59162051015812 0.61069447539901 15.999 28 O 0.57059134368361 0.90837948984188 0.61069447539901 15.999 *29 O 0.78106741752278 0.94091981929150 0.25271024179881 15.999 30 O 0.07059134368361 0.90837948984188 0.88930552460099 15.999 31 O 0.78106741752278 0.55908018070850 0.25271024179881 15.999 32 O 0.63838568977634 0.75000000000000 0.44756019619512 15.999 33 O 0.42940865631639 0.09162051015811 0.38930552460099 15.999 34 O 0.71893258247722 0.05908018070851 0.75271024179881 15.999 35 O 0.92940865631639 0.40837948984188 0.11069447539901 15.999 *36 O 0.82976740456497 0.75000000000000 0.97353501686208 15.999 *37 O 0.60425850568997 0.03791492697293 0.09756230660590 15.999 *38 O 0.72790178195519 0.25000000000000 0.22508413023840 15.999 39 O 0.42940865631639 0.40837948984188 0.38930552460099 15.999 40 O 0.17023259543503 0.25000000000000 0.02646498313791 15.999 41 O 0.21893258247722 0.44091981929149 0.74728975820119 15.999 42 O 0.67023259543503 0.25000000000000 0.47353501686208 15.999 43 O 0.28106741752278 0.55908018070850 0.24728975820119 15.999 44 O 0.86161431022366 0.25000000000000 0.94756019619512 15.999 45 O 0.71893258247722 0.44091981929149 0.75271024179881 15.999 46 O 0.10425850568997 0.03791492697293 0.40243769339410 15.999 47 O 0.77209821804481 0.75000000000000 0.72508413023840 15.999 48 O 0.89574149431003 0.96208507302707 0.59756230660590 15.999 49 O 0.21893258247722 0.05908018070851 0.74728975820119 15.999 50 O 0.28106741752278 0.94091981929150 0.24728975820119 15.999 51 O 0.92940865631639 0.09162051015811 0.11069447539901 15.999 52 O 0.27209821804481 0.75000000000000 0.77491586976160 15.999 53 O 0.60425850568997 0.46208507302707 0.09756230660590 15.999 54 O 0.32976740456497 0.75000000000000 0.52646498313792 15.999 55 O 0.89574149431003 0.53791492697293 0.59756230660590 15.999 56 O 0.10425850568997 0.46208507302707 0.40243769339410 15.999 57 O 0.07059134368361 0.59162051015812 0.88930552460099 15.999 58 O 0.39574149431003 0.96208507302707 0.90243769339410 15.999 59 O 0.22790178195519 0.25000000000000 0.27491586976160 15.999 60 O 0.39574149431003 0.53791492697293 0.90243769339410 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.711424210000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.939443519999999 0.000000000000000 c 0.000000000000000 0.000000000000000 13.259580710000000 Atomic positions (fractional): *1 Na 0.81648523631396 0.00430550091153 0.42664795400352 22.990 > 1 *2 Na 0.03587625560356 0.75000000000000 0.22189053626462 22.990 > 2 3 Na 0.46412374439644 0.25000000000000 0.72189053626462 22.990 > 3 4 Na 0.31648523631397 0.49569449908847 0.07335204599648 22.990 > 4 5 Na 0.18351476368604 0.50430550091153 0.57335204599648 22.990 > 5 6 Na 0.68351476368604 0.50430550091153 0.92664795400352 22.990 > 6 7 Na 0.96412374439644 0.25000000000000 0.77810946373538 22.990 > 7 8 Na 0.31648523631397 0.00430550091153 0.07335204599648 22.990 > 8 9 Na 0.18351476368604 0.99569449908847 0.57335204599648 22.990 > 9 10 Na 0.68351476368604 0.99569449908847 0.92664795400352 22.990 > 10 11 Na 0.53587625560356 0.75000000000000 0.27810946373538 22.990 > 11 12 Na 0.81648523631396 0.49569449908847 0.42664795400352 22.990 > 12 *13 P 0.75295547087699 0.93282147097591 0.67119253946202 30.974 > 13 *14 P 0.02167067994353 0.75000000000000 0.96167016038099 30.974 > 14 15 P 0.52167067994353 0.75000000000000 0.53832983961901 30.974 > 15 16 P 0.25295547087699 0.56717852902409 0.82880746053798 30.974 > 16 17 P 0.47832932005647 0.25000000000000 0.46167016038100 30.974 > 17 18 P 0.24704452912301 0.43282147097591 0.32880746053798 30.974 > 18 19 P 0.24704452912301 0.06717852902409 0.32880746053798 30.974 > 19 20 P 0.74704452912301 0.06717852902409 0.17119253946202 30.974 > 20 21 P 0.75295547087699 0.56717852902409 0.67119253946202 30.974 > 21 22 P 0.74704452912301 0.43282147097591 0.17119253946202 30.974 > 22 23 P 0.97832932005647 0.25000000000000 0.03832983961900 30.974 > 23 24 P 0.25295547087699 0.93282147097591 0.82880746053798 30.974 > 24 *25 O 0.13838568977634 0.75000000000000 0.05243980380488 15.999 > 25 26 O 0.36161431022367 0.25000000000000 0.55243980380488 15.999 > 26 *27 O 0.57059134368361 0.59162051015812 0.61069447539901 15.999 > 27 28 O 0.57059134368361 0.90837948984188 0.61069447539901 15.999 > 28 *29 O 0.78106741752278 0.94091981929150 0.25271024179881 15.999 > 29 30 O 0.07059134368361 0.90837948984188 0.88930552460099 15.999 > 30 31 O 0.78106741752278 0.55908018070850 0.25271024179881 15.999 > 31 32 O 0.63838568977634 0.75000000000000 0.44756019619512 15.999 > 32 33 O 0.42940865631639 0.09162051015811 0.38930552460099 15.999 > 33 34 O 0.71893258247722 0.05908018070851 0.75271024179881 15.999 > 34 35 O 0.92940865631639 0.40837948984188 0.11069447539901 15.999 > 35 *36 O 0.82976740456497 0.75000000000000 0.97353501686208 15.999 > 36 *37 O 0.60425850568997 0.03791492697293 0.09756230660590 15.999 > 37 *38 O 0.72790178195519 0.25000000000000 0.22508413023840 15.999 > 38 39 O 0.42940865631639 0.40837948984188 0.38930552460099 15.999 > 39 40 O 0.17023259543503 0.25000000000000 0.02646498313791 15.999 > 40 41 O 0.21893258247722 0.44091981929149 0.74728975820119 15.999 > 41 42 O 0.67023259543503 0.25000000000000 0.47353501686208 15.999 > 42 43 O 0.28106741752278 0.55908018070850 0.24728975820119 15.999 > 43 44 O 0.86161431022366 0.25000000000000 0.94756019619512 15.999 > 44 45 O 0.71893258247722 0.44091981929149 0.75271024179881 15.999 > 45 46 O 0.10425850568997 0.03791492697293 0.40243769339410 15.999 > 46 47 O 0.77209821804481 0.75000000000000 0.72508413023840 15.999 > 47 48 O 0.89574149431003 0.96208507302707 0.59756230660590 15.999 > 48 49 O 0.21893258247722 0.05908018070851 0.74728975820119 15.999 > 49 50 O 0.28106741752278 0.94091981929150 0.24728975820119 15.999 > 50 51 O 0.92940865631639 0.09162051015811 0.11069447539901 15.999 > 51 52 O 0.27209821804481 0.75000000000000 0.77491586976160 15.999 > 52 53 O 0.60425850568997 0.46208507302707 0.09756230660590 15.999 > 53 54 O 0.32976740456497 0.75000000000000 0.52646498313792 15.999 > 54 55 O 0.89574149431003 0.53791492697293 0.59756230660590 15.999 > 55 56 O 0.10425850568997 0.46208507302707 0.40243769339410 15.999 > 56 57 O 0.07059134368361 0.59162051015812 0.88930552460099 15.999 > 57 58 O 0.39574149431003 0.96208507302707 0.90243769339410 15.999 > 58 59 O 0.22790178195519 0.25000000000000 0.27491586976160 15.999 > 59 60 O 0.39574149431003 0.53791492697293 0.90243769339410 15.999 > 60 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.422848419999999 0.000000000000000 0.000000000000000 b 0.000000000000000 7.939443519999999 0.000000000000000 c 0.000000000000000 0.000000000000000 13.259580710000000 Atomic positions (fractional): *1 Na 0.40824261815698 0.00430550091153 0.42664795400352 22.990 > 1 2 Na 0.90824261815698 0.00430550091153 0.42664795400352 22.990 > 1 *3 Na 0.01793812780178 0.75000000000000 0.22189053626462 22.990 > 2 4 Na 0.51793812780178 0.75000000000000 0.22189053626462 22.990 > 2 5 Na 0.23206187219822 0.25000000000000 0.72189053626462 22.990 > 3 6 Na 0.73206187219822 0.25000000000000 0.72189053626462 22.990 > 3 7 Na 0.15824261815698 0.49569449908847 0.07335204599648 22.990 > 4 8 Na 0.65824261815698 0.49569449908847 0.07335204599648 22.990 > 4 9 Na 0.09175738184302 0.50430550091153 0.57335204599648 22.990 > 5 10 Na 0.59175738184302 0.50430550091153 0.57335204599648 22.990 > 5 11 Na 0.34175738184302 0.50430550091153 0.92664795400352 22.990 > 6 12 Na 0.84175738184302 0.50430550091153 0.92664795400352 22.990 > 6 13 Na 0.48206187219822 0.25000000000000 0.77810946373538 22.990 > 7 14 Na 0.98206187219822 0.25000000000000 0.77810946373538 22.990 > 7 15 Na 0.15824261815698 0.00430550091153 0.07335204599648 22.990 > 8 16 Na 0.65824261815698 0.00430550091153 0.07335204599648 22.990 > 8 17 Na 0.09175738184302 0.99569449908847 0.57335204599648 22.990 > 9 18 Na 0.59175738184302 0.99569449908847 0.57335204599648 22.990 > 9 19 Na 0.34175738184302 0.99569449908847 0.92664795400352 22.990 > 10 20 Na 0.84175738184302 0.99569449908847 0.92664795400352 22.990 > 10 21 Na 0.26793812780178 0.75000000000000 0.27810946373538 22.990 > 11 22 Na 0.76793812780178 0.75000000000000 0.27810946373538 22.990 > 11 23 Na 0.40824261815698 0.49569449908847 0.42664795400352 22.990 > 12 24 Na 0.90824261815698 0.49569449908847 0.42664795400352 22.990 > 12 *25 P 0.37647773543850 0.93282147097591 0.67119253946202 30.974 > 13 26 P 0.87647773543850 0.93282147097591 0.67119253946202 30.974 > 13 *27 P 0.01083533997177 0.75000000000000 0.96167016038099 30.974 > 14 28 P 0.51083533997177 0.75000000000000 0.96167016038099 30.974 > 14 29 P 0.26083533997177 0.75000000000000 0.53832983961901 30.974 > 15 30 P 0.76083533997177 0.75000000000000 0.53832983961901 30.974 > 15 31 P 0.12647773543850 0.56717852902409 0.82880746053798 30.974 > 16 32 P 0.62647773543850 0.56717852902409 0.82880746053798 30.974 > 16 33 P 0.23916466002823 0.25000000000000 0.46167016038100 30.974 > 17 34 P 0.73916466002823 0.25000000000000 0.46167016038100 30.974 > 17 35 P 0.12352226456150 0.43282147097591 0.32880746053798 30.974 > 18 36 P 0.62352226456150 0.43282147097591 0.32880746053798 30.974 > 18 37 P 0.12352226456150 0.06717852902409 0.32880746053798 30.974 > 19 38 P 0.62352226456150 0.06717852902409 0.32880746053798 30.974 > 19 39 P 0.37352226456150 0.06717852902409 0.17119253946202 30.974 > 20 40 P 0.87352226456150 0.06717852902409 0.17119253946202 30.974 > 20 41 P 0.37647773543850 0.56717852902409 0.67119253946202 30.974 > 21 42 P 0.87647773543850 0.56717852902409 0.67119253946202 30.974 > 21 43 P 0.37352226456150 0.43282147097591 0.17119253946202 30.974 > 22 44 P 0.87352226456150 0.43282147097591 0.17119253946202 30.974 > 22 45 P 0.48916466002823 0.25000000000000 0.03832983961900 30.974 > 23 46 P 0.98916466002823 0.25000000000000 0.03832983961900 30.974 > 23 47 P 0.12647773543850 0.93282147097591 0.82880746053798 30.974 > 24 48 P 0.62647773543850 0.93282147097591 0.82880746053798 30.974 > 24 *49 O 0.06919284488817 0.75000000000000 0.05243980380488 15.999 > 25 50 O 0.56919284488817 0.75000000000000 0.05243980380488 15.999 > 25 51 O 0.18080715511183 0.25000000000000 0.55243980380488 15.999 > 26 52 O 0.68080715511183 0.25000000000000 0.55243980380488 15.999 > 26 *53 O 0.28529567184181 0.59162051015812 0.61069447539901 15.999 > 27 54 O 0.78529567184181 0.59162051015812 0.61069447539901 15.999 > 27 55 O 0.28529567184181 0.90837948984188 0.61069447539901 15.999 > 28 56 O 0.78529567184181 0.90837948984188 0.61069447539901 15.999 > 28 *57 O 0.39053370876139 0.94091981929150 0.25271024179881 15.999 > 29 58 O 0.89053370876139 0.94091981929150 0.25271024179881 15.999 > 29 59 O 0.03529567184181 0.90837948984188 0.88930552460099 15.999 > 30 60 O 0.53529567184181 0.90837948984188 0.88930552460099 15.999 > 30 61 O 0.39053370876139 0.55908018070850 0.25271024179881 15.999 > 31 62 O 0.89053370876139 0.55908018070850 0.25271024179881 15.999 > 31 63 O 0.31919284488817 0.75000000000000 0.44756019619512 15.999 > 32 64 O 0.81919284488817 0.75000000000000 0.44756019619512 15.999 > 32 65 O 0.21470432815819 0.09162051015811 0.38930552460099 15.999 > 33 66 O 0.71470432815819 0.09162051015811 0.38930552460099 15.999 > 33 67 O 0.35946629123861 0.05908018070851 0.75271024179881 15.999 > 34 68 O 0.85946629123861 0.05908018070851 0.75271024179881 15.999 > 34 69 O 0.46470432815819 0.40837948984188 0.11069447539901 15.999 > 35 70 O 0.96470432815819 0.40837948984188 0.11069447539901 15.999 > 35 *71 O 0.41488370228249 0.75000000000000 0.97353501686208 15.999 > 36 72 O 0.91488370228249 0.75000000000000 0.97353501686208 15.999 > 36 *73 O 0.30212925284499 0.03791492697293 0.09756230660590 15.999 > 37 74 O 0.80212925284499 0.03791492697293 0.09756230660590 15.999 > 37 *75 O 0.36395089097760 0.25000000000000 0.22508413023840 15.999 > 38 76 O 0.86395089097760 0.25000000000000 0.22508413023840 15.999 > 38 77 O 0.21470432815819 0.40837948984188 0.38930552460099 15.999 > 39 78 O 0.71470432815819 0.40837948984188 0.38930552460099 15.999 > 39 79 O 0.08511629771751 0.25000000000000 0.02646498313791 15.999 > 40 80 O 0.58511629771751 0.25000000000000 0.02646498313791 15.999 > 40 81 O 0.10946629123861 0.44091981929149 0.74728975820119 15.999 > 41 82 O 0.60946629123861 0.44091981929149 0.74728975820119 15.999 > 41 83 O 0.33511629771751 0.25000000000000 0.47353501686208 15.999 > 42 84 O 0.83511629771751 0.25000000000000 0.47353501686208 15.999 > 42 85 O 0.14053370876139 0.55908018070850 0.24728975820119 15.999 > 43 86 O 0.64053370876139 0.55908018070850 0.24728975820119 15.999 > 43 87 O 0.43080715511183 0.25000000000000 0.94756019619512 15.999 > 44 88 O 0.93080715511183 0.25000000000000 0.94756019619512 15.999 > 44 89 O 0.35946629123861 0.44091981929149 0.75271024179881 15.999 > 45 90 O 0.85946629123861 0.44091981929149 0.75271024179881 15.999 > 45 91 O 0.05212925284499 0.03791492697293 0.40243769339410 15.999 > 46 92 O 0.55212925284499 0.03791492697293 0.40243769339410 15.999 > 46 93 O 0.38604910902240 0.75000000000000 0.72508413023840 15.999 > 47 94 O 0.88604910902240 0.75000000000000 0.72508413023840 15.999 > 47 95 O 0.44787074715501 0.96208507302707 0.59756230660590 15.999 > 48 96 O 0.94787074715501 0.96208507302707 0.59756230660590 15.999 > 48 97 O 0.10946629123861 0.05908018070851 0.74728975820119 15.999 > 49 98 O 0.60946629123861 0.05908018070851 0.74728975820119 15.999 > 49 99 O 0.14053370876139 0.94091981929150 0.24728975820119 15.999 > 50 100 O 0.64053370876139 0.94091981929150 0.24728975820119 15.999 > 50 101 O 0.46470432815819 0.09162051015811 0.11069447539901 15.999 > 51 102 O 0.96470432815819 0.09162051015811 0.11069447539901 15.999 > 51 103 O 0.13604910902240 0.75000000000000 0.77491586976160 15.999 > 52 104 O 0.63604910902240 0.75000000000000 0.77491586976160 15.999 > 52 105 O 0.30212925284499 0.46208507302707 0.09756230660590 15.999 > 53 106 O 0.80212925284499 0.46208507302707 0.09756230660590 15.999 > 53 107 O 0.16488370228249 0.75000000000000 0.52646498313792 15.999 > 54 108 O 0.66488370228249 0.75000000000000 0.52646498313792 15.999 > 54 109 O 0.44787074715501 0.53791492697293 0.59756230660590 15.999 > 55 110 O 0.94787074715501 0.53791492697293 0.59756230660590 15.999 > 55 111 O 0.05212925284499 0.46208507302707 0.40243769339410 15.999 > 56 112 O 0.55212925284499 0.46208507302707 0.40243769339410 15.999 > 56 113 O 0.03529567184181 0.59162051015812 0.88930552460099 15.999 > 57 114 O 0.53529567184181 0.59162051015812 0.88930552460099 15.999 > 57 115 O 0.19787074715501 0.96208507302707 0.90243769339410 15.999 > 58 116 O 0.69787074715501 0.96208507302707 0.90243769339410 15.999 > 58 117 O 0.11395089097760 0.25000000000000 0.27491586976160 15.999 > 59 118 O 0.61395089097760 0.25000000000000 0.27491586976160 15.999 > 59 119 O 0.19787074715501 0.53791492697293 0.90243769339410 15.999 > 60 120 O 0.69787074715501 0.53791492697293 0.90243769339410 15.999 > 60 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.2562296 0.0000000 0.0000000 0.0000000 2.2932317 0.0000000 0.0000000 0.0000000 2.2754665 -------------------------- Born effective charges -------------------------- 1 Na 1.1916892 -0.0244369 -0.1289128 0.0325830 0.9723049 -0.1681388 -0.0687535 -0.1228517 1.2079483 2 Na 1.0919913 0.0000000 0.0812035 -0.0000000 1.3616865 -0.0000000 0.1809367 0.0000000 1.0762966 3 Na 1.0919913 0.0000000 -0.0812035 -0.0000000 1.3616865 -0.0000000 -0.1809367 0.0000000 1.0762966 4 Na 1.1916892 0.0244369 0.1289128 -0.0325830 0.9723049 -0.1681388 0.0687535 -0.1228517 1.2079483 5 Na 1.1916892 0.0244369 -0.1289128 -0.0325830 0.9723049 0.1681388 -0.0687535 0.1228517 1.2079483 6 Na 1.1916892 0.0244369 0.1289128 -0.0325830 0.9723049 -0.1681388 0.0687535 -0.1228517 1.2079483 7 Na 1.0919913 0.0000000 0.0812035 -0.0000000 1.3616865 -0.0000000 0.1809367 0.0000000 1.0762966 8 Na 1.1916892 -0.0244369 0.1289128 0.0325830 0.9723049 0.1681388 0.0687535 0.1228517 1.2079483 9 Na 1.1916892 -0.0244369 -0.1289128 0.0325830 0.9723049 -0.1681388 -0.0687535 -0.1228517 1.2079483 10 Na 1.1916892 -0.0244369 0.1289128 0.0325830 0.9723049 0.1681388 0.0687535 0.1228517 1.2079483 11 Na 1.0919913 0.0000000 -0.0812035 -0.0000000 1.3616865 -0.0000000 -0.1809367 0.0000000 1.0762966 12 Na 1.1916892 0.0244369 -0.1289128 -0.0325830 0.9723049 0.1681388 -0.0687535 0.1228517 1.2079483 13 P 2.8228153 0.0822475 0.0752713 0.3556910 3.2018992 -0.0100631 0.3310197 0.2905200 2.7386146 14 P 2.7402260 0.0000000 -0.5762140 -0.0000000 2.7874678 -0.0000000 -0.0738108 0.0000000 3.1107076 15 P 2.7402260 0.0000000 0.5762140 -0.0000000 2.7874678 -0.0000000 0.0738108 0.0000000 3.1107076 16 P 2.8228153 -0.0822475 -0.0752713 -0.3556910 3.2018992 -0.0100631 -0.3310197 0.2905200 2.7386146 17 P 2.7402260 0.0000000 0.5762140 -0.0000000 2.7874678 -0.0000000 0.0738108 0.0000000 3.1107076 18 P 2.8228153 -0.0822475 0.0752713 -0.3556910 3.2018992 0.0100631 0.3310197 -0.2905200 2.7386146 19 P 2.8228153 0.0822475 0.0752713 0.3556910 3.2018992 -0.0100631 0.3310197 0.2905200 2.7386146 20 P 2.8228153 0.0822475 -0.0752713 0.3556910 3.2018992 0.0100631 -0.3310197 -0.2905200 2.7386146 21 P 2.8228153 -0.0822475 0.0752713 -0.3556910 3.2018992 0.0100631 0.3310197 -0.2905200 2.7386146 22 P 2.8228153 -0.0822475 -0.0752713 -0.3556910 3.2018992 -0.0100631 -0.3310197 0.2905200 2.7386146 23 P 2.7402260 0.0000000 -0.5762140 -0.0000000 2.7874678 -0.0000000 -0.0738108 0.0000000 3.1107076 24 P 2.8228153 0.0822475 -0.0752713 0.3556910 3.2018992 0.0100631 -0.3310197 -0.2905200 2.7386146 25 O -1.1160597 0.0000000 -0.1194088 -0.0000000 -1.0850150 -0.0000000 -0.3998768 0.0000000 -1.6663852 26 O -1.1160597 0.0000000 0.1194088 -0.0000000 -1.0850150 -0.0000000 0.3998768 0.0000000 -1.6663852 27 O -1.5952524 0.3642853 -0.6514698 0.3937091 -1.4188473 0.5160114 -0.6537318 0.5293859 -1.4962253 28 O -1.5952524 -0.3642853 -0.6514698 -0.3937091 -1.4188473 -0.5160114 -0.6537318 -0.5293859 -1.4962253 29 O -1.0611106 0.0348798 -0.0292236 0.0582817 -1.4611263 0.4464985 -0.0551568 0.4170938 -1.4283198 30 O -1.5952524 -0.3642853 0.6514698 -0.3937091 -1.4188473 0.5160114 0.6537318 0.5293859 -1.4962253 31 O -1.0611106 -0.0348798 -0.0292236 -0.0582817 -1.4611263 -0.4464985 -0.0551568 -0.4170938 -1.4283198 32 O -1.1160597 0.0000000 0.1194088 -0.0000000 -1.0850150 -0.0000000 0.3998768 0.0000000 -1.6663852 33 O -1.5952524 -0.3642853 -0.6514698 -0.3937091 -1.4188473 -0.5160114 -0.6537318 -0.5293859 -1.4962253 34 O -1.0611106 0.0348798 0.0292236 0.0582817 -1.4611263 -0.4464985 0.0551568 -0.4170938 -1.4283198 35 O -1.5952524 0.3642853 0.6514698 0.3937091 -1.4188473 -0.5160114 0.6537318 -0.5293859 -1.4962253 36 O -1.6480391 0.0000000 0.0482595 -0.0000000 -1.0320013 -0.0000000 0.1191044 0.0000000 -1.0242230 37 O -1.4878219 -0.1252597 -0.3495451 -0.2707656 -1.0187248 -0.2015336 -0.1717610 -0.0270385 -1.2500821 38 O -0.8087577 0.0000000 0.1105207 -0.0000000 -2.5831495 -0.0000000 0.1091867 0.0000000 -1.0402673 39 O -1.5952524 0.3642853 -0.6514698 0.3937091 -1.4188473 0.5160114 -0.6537318 0.5293859 -1.4962253 40 O -1.6480391 0.0000000 0.0482595 -0.0000000 -1.0320013 -0.0000000 0.1191044 0.0000000 -1.0242230 41 O -1.0611106 -0.0348798 -0.0292236 -0.0582817 -1.4611263 -0.4464985 -0.0551568 -0.4170938 -1.4283198 42 O -1.6480391 0.0000000 -0.0482595 -0.0000000 -1.0320013 -0.0000000 -0.1191044 0.0000000 -1.0242230 43 O -1.0611106 -0.0348798 0.0292236 -0.0582817 -1.4611263 0.4464985 0.0551568 0.4170938 -1.4283198 44 O -1.1160597 0.0000000 -0.1194088 -0.0000000 -1.0850150 -0.0000000 -0.3998768 0.0000000 -1.6663852 45 O -1.0611106 -0.0348798 0.0292236 -0.0582817 -1.4611263 0.4464985 0.0551568 0.4170938 -1.4283198 46 O -1.4878219 -0.1252597 0.3495451 -0.2707656 -1.0187248 0.2015336 0.1717610 0.0270385 -1.2500821 47 O -0.8087577 0.0000000 -0.1105207 -0.0000000 -2.5831495 -0.0000000 -0.1091867 0.0000000 -1.0402673 48 O -1.4878219 -0.1252597 0.3495451 -0.2707656 -1.0187248 0.2015336 0.1717610 0.0270385 -1.2500821 49 O -1.0611106 0.0348798 -0.0292236 0.0582817 -1.4611263 0.4464985 -0.0551568 0.4170938 -1.4283198 50 O -1.0611106 0.0348798 0.0292236 0.0582817 -1.4611263 -0.4464985 0.0551568 -0.4170938 -1.4283198 51 O -1.5952524 -0.3642853 0.6514698 -0.3937091 -1.4188473 0.5160114 0.6537318 0.5293859 -1.4962253 52 O -0.8087577 0.0000000 0.1105207 -0.0000000 -2.5831495 -0.0000000 0.1091867 0.0000000 -1.0402673 53 O -1.4878219 0.1252597 -0.3495451 0.2707656 -1.0187248 0.2015336 -0.1717610 0.0270385 -1.2500821 54 O -1.6480391 0.0000000 -0.0482595 -0.0000000 -1.0320013 -0.0000000 -0.1191044 0.0000000 -1.0242230 55 O -1.4878219 0.1252597 0.3495451 0.2707656 -1.0187248 -0.2015336 0.1717610 -0.0270385 -1.2500821 56 O -1.4878219 0.1252597 0.3495451 0.2707656 -1.0187248 -0.2015336 0.1717610 -0.0270385 -1.2500821 57 O -1.5952524 0.3642853 0.6514698 0.3937091 -1.4188473 -0.5160114 0.6537318 -0.5293859 -1.4962253 58 O -1.4878219 -0.1252597 -0.3495451 -0.2707656 -1.0187248 -0.2015336 -0.1717610 -0.0270385 -1.2500821 59 O -0.8087577 0.0000000 -0.1105207 -0.0000000 -2.5831495 -0.0000000 -0.1091867 0.0000000 -1.0402673 60 O -1.4878219 0.1252597 -0.3495451 0.2707656 -1.0187248 0.2015336 -0.1717610 0.0270385 -1.2500821 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 32580/32580 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4235 Number of blocks in projector: 4235 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: 1000 Use submatrix version of eigh solver. (1) Block: 500 / 1000 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 1000 / 1000 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 37 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 480 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 800 / 800 (1) 290 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 800 / 800 (1) 290 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 545 Use submatrix version of eigh solver. (1) Block: 545 / 545 (2) Block: 250 / 545 (2) 240 eigenvectors found. (2) Block: 545 / 545 (2) 285 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 535 eigenvectors found. (1) Complementary block size: 9 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 545 Use submatrix version of eigh solver. (1) Block: 545 / 545 (2) Block: 250 / 545 (2) 240 eigenvectors found. (2) Block: 545 / 545 (2) 285 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 535 eigenvectors found. (1) Complementary block size: 9 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 545 Use submatrix version of eigh solver. (1) Block: 545 / 545 (2) Block: 250 / 545 (2) 240 eigenvectors found. (2) Block: 545 / 545 (2) 285 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 535 eigenvectors found. (1) Complementary block size: 9 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4235, 4165), data: False |-- (545, 535), data: False |-- (545, 535), data: False |-- (545, 10), data: (545, 20) @ (20, 10) |-- (295, 285), data: True |-- (250, 240), data: True |-- (545, 535), data: False |-- (545, 535), data: False |-- (545, 10), data: (545, 20) @ (20, 10) |-- (295, 285), data: True |-- (250, 240), data: True |-- (545, 535), data: False |-- (545, 535), data: False |-- (545, 10), data: (545, 20) @ (20, 10) |-- (295, 285), data: True |-- (250, 240), data: True |-- (800, 790), data: False |-- (800, 10), data: (800, 20) @ (20, 10) |-- (300, 290), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True |-- (800, 790), data: False |-- (800, 10), data: (800, 20) @ (20, 10) |-- (300, 290), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True |-- (1000, 980), data: False |-- (1000, 20), data: (1000, 40) @ (40, 20) |-- (500, 480), data: False |-- (500, 17), data: (500, 37) @ (37, 17) |-- (250, 233), data: True |-- (250, 230), data: True |-- (500, 480), data: False |-- (500, 20), data: (500, 40) @ (40, 20) |-- (250, 230), data: True |-- (250, 230), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.008 Solver_block: 100 / 960 - Time: 1.728 Solver_block: 200 / 960 - Time: 1.652 Solver_block: 300 / 960 - Time: 1.624 Solver_block: 400 / 960 - Time: 1.627 Solver_block: 500 / 960 - Time: 1.629 Solver_block: 600 / 960 - Time: 1.638 Solver_block: 700 / 960 - Time: 1.630 Solver_block: 800 / 960 - Time: 1.630 Solver_block: 900 / 960 - Time: 1.630 Solver_block: 960 / 960 - Time: 1.105 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 16.164 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 360/360 Permutation basis: 32580/32580 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4235 Number of blocks in projector: 4235 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: 1000 Use submatrix version of eigh solver. (1) Block: 500 / 1000 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 1000 / 1000 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 37 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 480 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 800 / 800 (1) 290 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 800 / 800 (1) 290 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 545 Use submatrix version of eigh solver. (1) Block: 545 / 545 (2) Block: 250 / 545 (2) 240 eigenvectors found. (2) Block: 545 / 545 (2) 285 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 535 eigenvectors found. (1) Complementary block size: 9 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 545 Use submatrix version of eigh solver. (1) Block: 545 / 545 (2) Block: 250 / 545 (2) 240 eigenvectors found. (2) Block: 545 / 545 (2) 285 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 535 eigenvectors found. (1) Complementary block size: 9 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 545 Use submatrix version of eigh solver. (1) Block: 545 / 545 (2) Block: 250 / 545 (2) 240 eigenvectors found. (2) Block: 545 / 545 (2) 285 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 535 eigenvectors found. (1) Complementary block size: 9 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4235, 4165), data: False |-- (545, 535), data: False |-- (545, 535), data: False |-- (545, 10), data: (545, 20) @ (20, 10) |-- (295, 285), data: True |-- (250, 240), data: True |-- (545, 535), data: False |-- (545, 535), data: False |-- (545, 10), data: (545, 20) @ (20, 10) |-- (295, 285), data: True |-- (250, 240), data: True |-- (545, 535), data: False |-- (545, 535), data: False |-- (545, 10), data: (545, 20) @ (20, 10) |-- (295, 285), data: True |-- (250, 240), data: True |-- (800, 790), data: False |-- (800, 10), data: (800, 20) @ (20, 10) |-- (300, 290), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True |-- (800, 790), data: False |-- (800, 10), data: (800, 20) @ (20, 10) |-- (300, 290), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True |-- (1000, 980), data: False |-- (1000, 20), data: (1000, 40) @ (40, 20) |-- (500, 480), data: False |-- (500, 17), data: (500, 37) @ (37, 17) |-- (250, 233), data: True |-- (250, 230), data: True |-- (500, 480), data: False |-- (500, 20), data: (500, 40) @ (40, 20) |-- (250, 230), data: True |-- (250, 230), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 11:48:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:48:40]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.711424210000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.939443519999999 0.000000000000000 c 0.000000000000000 0.000000000000000 13.259580710000000 Atomic positions (fractional): 1 Na 0.81648523631396 0.00430550091153 0.42664795400352 22.990 2 Na 0.03587625560356 0.75000000000000 0.22189053626462 22.990 3 Na 0.46412374439644 0.25000000000000 0.72189053626462 22.990 4 Na 0.31648523631397 0.49569449908847 0.07335204599648 22.990 5 Na 0.18351476368604 0.50430550091153 0.57335204599648 22.990 6 Na 0.68351476368604 0.50430550091153 0.92664795400352 22.990 7 Na 0.96412374439644 0.25000000000000 0.77810946373538 22.990 8 Na 0.31648523631397 0.00430550091153 0.07335204599648 22.990 9 Na 0.18351476368604 0.99569449908847 0.57335204599648 22.990 10 Na 0.68351476368604 0.99569449908847 0.92664795400352 22.990 11 Na 0.53587625560356 0.75000000000000 0.27810946373538 22.990 12 Na 0.81648523631396 0.49569449908847 0.42664795400352 22.990 13 P 0.75295547087699 0.93282147097591 0.67119253946202 30.974 14 P 0.02167067994353 0.75000000000000 0.96167016038099 30.974 15 P 0.52167067994353 0.75000000000000 0.53832983961901 30.974 16 P 0.25295547087699 0.56717852902409 0.82880746053798 30.974 17 P 0.47832932005647 0.25000000000000 0.46167016038100 30.974 18 P 0.24704452912301 0.43282147097591 0.32880746053798 30.974 19 P 0.24704452912301 0.06717852902409 0.32880746053798 30.974 20 P 0.74704452912301 0.06717852902409 0.17119253946202 30.974 21 P 0.75295547087699 0.56717852902409 0.67119253946202 30.974 22 P 0.74704452912301 0.43282147097591 0.17119253946202 30.974 23 P 0.97832932005647 0.25000000000000 0.03832983961900 30.974 24 P 0.25295547087699 0.93282147097591 0.82880746053798 30.974 25 O 0.13838568977634 0.75000000000000 0.05243980380488 15.999 26 O 0.36161431022367 0.25000000000000 0.55243980380488 15.999 27 O 0.57059134368361 0.59162051015812 0.61069447539901 15.999 28 O 0.57059134368361 0.90837948984188 0.61069447539901 15.999 29 O 0.78106741752278 0.94091981929150 0.25271024179881 15.999 30 O 0.07059134368361 0.90837948984188 0.88930552460099 15.999 31 O 0.78106741752278 0.55908018070850 0.25271024179881 15.999 32 O 0.63838568977634 0.75000000000000 0.44756019619512 15.999 33 O 0.42940865631639 0.09162051015811 0.38930552460099 15.999 34 O 0.71893258247722 0.05908018070851 0.75271024179881 15.999 35 O 0.92940865631639 0.40837948984188 0.11069447539901 15.999 36 O 0.82976740456497 0.75000000000000 0.97353501686208 15.999 37 O 0.60425850568997 0.03791492697293 0.09756230660590 15.999 38 O 0.72790178195519 0.25000000000000 0.22508413023840 15.999 39 O 0.42940865631639 0.40837948984188 0.38930552460099 15.999 40 O 0.17023259543503 0.25000000000000 0.02646498313791 15.999 41 O 0.21893258247722 0.44091981929149 0.74728975820119 15.999 42 O 0.67023259543503 0.25000000000000 0.47353501686208 15.999 43 O 0.28106741752278 0.55908018070850 0.24728975820119 15.999 44 O 0.86161431022366 0.25000000000000 0.94756019619512 15.999 45 O 0.71893258247722 0.44091981929149 0.75271024179881 15.999 46 O 0.10425850568997 0.03791492697293 0.40243769339410 15.999 47 O 0.77209821804481 0.75000000000000 0.72508413023840 15.999 48 O 0.89574149431003 0.96208507302707 0.59756230660590 15.999 49 O 0.21893258247722 0.05908018070851 0.74728975820119 15.999 50 O 0.28106741752278 0.94091981929150 0.24728975820119 15.999 51 O 0.92940865631639 0.09162051015811 0.11069447539901 15.999 52 O 0.27209821804481 0.75000000000000 0.77491586976160 15.999 53 O 0.60425850568997 0.46208507302707 0.09756230660590 15.999 54 O 0.32976740456497 0.75000000000000 0.52646498313792 15.999 55 O 0.89574149431003 0.53791492697293 0.59756230660590 15.999 56 O 0.10425850568997 0.46208507302707 0.40243769339410 15.999 57 O 0.07059134368361 0.59162051015812 0.88930552460099 15.999 58 O 0.39574149431003 0.96208507302707 0.90243769339410 15.999 59 O 0.22790178195519 0.25000000000000 0.27491586976160 15.999 60 O 0.39574149431003 0.53791492697293 0.90243769339410 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.422848419999999 0.000000000000000 0.000000000000000 b 0.000000000000000 7.939443519999999 0.000000000000000 c 0.000000000000000 0.000000000000000 13.259580710000000 Atomic positions (fractional): 1 Na 0.40824261815698 0.00430550091153 0.42664795400352 22.990 > 1 2 Na 0.90824261815698 0.00430550091153 0.42664795400352 22.990 > 1 3 Na 0.01793812780178 0.75000000000000 0.22189053626462 22.990 > 3 4 Na 0.51793812780178 0.75000000000000 0.22189053626462 22.990 > 3 5 Na 0.23206187219822 0.25000000000000 0.72189053626462 22.990 > 5 6 Na 0.73206187219822 0.25000000000000 0.72189053626462 22.990 > 5 7 Na 0.15824261815698 0.49569449908847 0.07335204599648 22.990 > 7 8 Na 0.65824261815698 0.49569449908847 0.07335204599648 22.990 > 7 9 Na 0.09175738184302 0.50430550091153 0.57335204599648 22.990 > 9 10 Na 0.59175738184302 0.50430550091153 0.57335204599648 22.990 > 9 11 Na 0.34175738184302 0.50430550091153 0.92664795400352 22.990 > 11 12 Na 0.84175738184302 0.50430550091153 0.92664795400352 22.990 > 11 13 Na 0.48206187219822 0.25000000000000 0.77810946373538 22.990 > 13 14 Na 0.98206187219822 0.25000000000000 0.77810946373538 22.990 > 13 15 Na 0.15824261815698 0.00430550091153 0.07335204599648 22.990 > 15 16 Na 0.65824261815698 0.00430550091153 0.07335204599648 22.990 > 15 17 Na 0.09175738184302 0.99569449908847 0.57335204599648 22.990 > 17 18 Na 0.59175738184302 0.99569449908847 0.57335204599648 22.990 > 17 19 Na 0.34175738184302 0.99569449908847 0.92664795400352 22.990 > 19 20 Na 0.84175738184302 0.99569449908847 0.92664795400352 22.990 > 19 21 Na 0.26793812780178 0.75000000000000 0.27810946373538 22.990 > 21 22 Na 0.76793812780178 0.75000000000000 0.27810946373538 22.990 > 21 23 Na 0.40824261815698 0.49569449908847 0.42664795400352 22.990 > 23 24 Na 0.90824261815698 0.49569449908847 0.42664795400352 22.990 > 23 25 P 0.37647773543850 0.93282147097591 0.67119253946202 30.974 > 25 26 P 0.87647773543850 0.93282147097591 0.67119253946202 30.974 > 25 27 P 0.01083533997177 0.75000000000000 0.96167016038099 30.974 > 27 28 P 0.51083533997177 0.75000000000000 0.96167016038099 30.974 > 27 29 P 0.26083533997177 0.75000000000000 0.53832983961901 30.974 > 29 30 P 0.76083533997177 0.75000000000000 0.53832983961901 30.974 > 29 31 P 0.12647773543850 0.56717852902409 0.82880746053798 30.974 > 31 32 P 0.62647773543850 0.56717852902409 0.82880746053798 30.974 > 31 33 P 0.23916466002823 0.25000000000000 0.46167016038100 30.974 > 33 34 P 0.73916466002823 0.25000000000000 0.46167016038100 30.974 > 33 35 P 0.12352226456150 0.43282147097591 0.32880746053798 30.974 > 35 36 P 0.62352226456150 0.43282147097591 0.32880746053798 30.974 > 35 37 P 0.12352226456150 0.06717852902409 0.32880746053798 30.974 > 37 38 P 0.62352226456150 0.06717852902409 0.32880746053798 30.974 > 37 39 P 0.37352226456150 0.06717852902409 0.17119253946202 30.974 > 39 40 P 0.87352226456150 0.06717852902409 0.17119253946202 30.974 > 39 41 P 0.37647773543850 0.56717852902409 0.67119253946202 30.974 > 41 42 P 0.87647773543850 0.56717852902409 0.67119253946202 30.974 > 41 43 P 0.37352226456150 0.43282147097591 0.17119253946202 30.974 > 43 44 P 0.87352226456150 0.43282147097591 0.17119253946202 30.974 > 43 45 P 0.48916466002823 0.25000000000000 0.03832983961900 30.974 > 45 46 P 0.98916466002823 0.25000000000000 0.03832983961900 30.974 > 45 47 P 0.12647773543850 0.93282147097591 0.82880746053798 30.974 > 47 48 P 0.62647773543850 0.93282147097591 0.82880746053798 30.974 > 47 49 O 0.06919284488817 0.75000000000000 0.05243980380488 15.999 > 49 50 O 0.56919284488817 0.75000000000000 0.05243980380488 15.999 > 49 51 O 0.18080715511183 0.25000000000000 0.55243980380488 15.999 > 51 52 O 0.68080715511183 0.25000000000000 0.55243980380488 15.999 > 51 53 O 0.28529567184181 0.59162051015812 0.61069447539901 15.999 > 53 54 O 0.78529567184181 0.59162051015812 0.61069447539901 15.999 > 53 55 O 0.28529567184181 0.90837948984188 0.61069447539901 15.999 > 55 56 O 0.78529567184181 0.90837948984188 0.61069447539901 15.999 > 55 57 O 0.39053370876139 0.94091981929150 0.25271024179881 15.999 > 57 58 O 0.89053370876139 0.94091981929150 0.25271024179881 15.999 > 57 59 O 0.03529567184181 0.90837948984188 0.88930552460099 15.999 > 59 60 O 0.53529567184181 0.90837948984188 0.88930552460099 15.999 > 59 61 O 0.39053370876139 0.55908018070850 0.25271024179881 15.999 > 61 62 O 0.89053370876139 0.55908018070850 0.25271024179881 15.999 > 61 63 O 0.31919284488817 0.75000000000000 0.44756019619512 15.999 > 63 64 O 0.81919284488817 0.75000000000000 0.44756019619512 15.999 > 63 65 O 0.21470432815819 0.09162051015811 0.38930552460099 15.999 > 65 66 O 0.71470432815819 0.09162051015811 0.38930552460099 15.999 > 65 67 O 0.35946629123861 0.05908018070851 0.75271024179881 15.999 > 67 68 O 0.85946629123861 0.05908018070851 0.75271024179881 15.999 > 67 69 O 0.46470432815819 0.40837948984188 0.11069447539901 15.999 > 69 70 O 0.96470432815819 0.40837948984188 0.11069447539901 15.999 > 69 71 O 0.41488370228249 0.75000000000000 0.97353501686208 15.999 > 71 72 O 0.91488370228249 0.75000000000000 0.97353501686208 15.999 > 71 73 O 0.30212925284499 0.03791492697293 0.09756230660590 15.999 > 73 74 O 0.80212925284499 0.03791492697293 0.09756230660590 15.999 > 73 75 O 0.36395089097760 0.25000000000000 0.22508413023840 15.999 > 75 76 O 0.86395089097760 0.25000000000000 0.22508413023840 15.999 > 75 77 O 0.21470432815819 0.40837948984188 0.38930552460099 15.999 > 77 78 O 0.71470432815819 0.40837948984188 0.38930552460099 15.999 > 77 79 O 0.08511629771751 0.25000000000000 0.02646498313791 15.999 > 79 80 O 0.58511629771751 0.25000000000000 0.02646498313791 15.999 > 79 81 O 0.10946629123861 0.44091981929149 0.74728975820119 15.999 > 81 82 O 0.60946629123861 0.44091981929149 0.74728975820119 15.999 > 81 83 O 0.33511629771751 0.25000000000000 0.47353501686208 15.999 > 83 84 O 0.83511629771751 0.25000000000000 0.47353501686208 15.999 > 83 85 O 0.14053370876139 0.55908018070850 0.24728975820119 15.999 > 85 86 O 0.64053370876139 0.55908018070850 0.24728975820119 15.999 > 85 87 O 0.43080715511183 0.25000000000000 0.94756019619512 15.999 > 87 88 O 0.93080715511183 0.25000000000000 0.94756019619512 15.999 > 87 89 O 0.35946629123861 0.44091981929149 0.75271024179881 15.999 > 89 90 O 0.85946629123861 0.44091981929149 0.75271024179881 15.999 > 89 91 O 0.05212925284499 0.03791492697293 0.40243769339410 15.999 > 91 92 O 0.55212925284499 0.03791492697293 0.40243769339410 15.999 > 91 93 O 0.38604910902240 0.75000000000000 0.72508413023840 15.999 > 93 94 O 0.88604910902240 0.75000000000000 0.72508413023840 15.999 > 93 95 O 0.44787074715501 0.96208507302707 0.59756230660590 15.999 > 95 96 O 0.94787074715501 0.96208507302707 0.59756230660590 15.999 > 95 97 O 0.10946629123861 0.05908018070851 0.74728975820119 15.999 > 97 98 O 0.60946629123861 0.05908018070851 0.74728975820119 15.999 > 97 99 O 0.14053370876139 0.94091981929150 0.24728975820119 15.999 > 99 100 O 0.64053370876139 0.94091981929150 0.24728975820119 15.999 > 99 101 O 0.46470432815819 0.09162051015811 0.11069447539901 15.999 > 101 102 O 0.96470432815819 0.09162051015811 0.11069447539901 15.999 > 101 103 O 0.13604910902240 0.75000000000000 0.77491586976160 15.999 > 103 104 O 0.63604910902240 0.75000000000000 0.77491586976160 15.999 > 103 105 O 0.30212925284499 0.46208507302707 0.09756230660590 15.999 > 105 106 O 0.80212925284499 0.46208507302707 0.09756230660590 15.999 > 105 107 O 0.16488370228249 0.75000000000000 0.52646498313792 15.999 > 107 108 O 0.66488370228249 0.75000000000000 0.52646498313792 15.999 > 107 109 O 0.44787074715501 0.53791492697293 0.59756230660590 15.999 > 109 110 O 0.94787074715501 0.53791492697293 0.59756230660590 15.999 > 109 111 O 0.05212925284499 0.46208507302707 0.40243769339410 15.999 > 111 112 O 0.55212925284499 0.46208507302707 0.40243769339410 15.999 > 111 113 O 0.03529567184181 0.59162051015812 0.88930552460099 15.999 > 113 114 O 0.53529567184181 0.59162051015812 0.88930552460099 15.999 > 113 115 O 0.19787074715501 0.96208507302707 0.90243769339410 15.999 > 115 116 O 0.69787074715501 0.96208507302707 0.90243769339410 15.999 > 115 117 O 0.11395089097760 0.25000000000000 0.27491586976160 15.999 > 117 118 O 0.61395089097760 0.25000000000000 0.27491586976160 15.999 > 117 119 O 0.19787074715501 0.53791492697293 0.90243769339410 15.999 > 119 120 O 0.69787074715501 0.53791492697293 0.90243769339410 15.999 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.2562296 0.0000000 0.0000000 0.0000000 2.2932317 0.0000000 0.0000000 0.0000000 2.2754665 -------------------------- Born effective charges -------------------------- 1 Na 1.1916892 -0.0244369 -0.1289128 0.0325830 0.9723049 -0.1681388 -0.0687535 -0.1228517 1.2079483 2 Na 1.0919913 0.0000000 0.0812035 -0.0000000 1.3616865 -0.0000000 0.1809367 0.0000000 1.0762966 3 Na 1.0919913 0.0000000 -0.0812035 -0.0000000 1.3616865 -0.0000000 -0.1809367 0.0000000 1.0762966 4 Na 1.1916892 0.0244369 0.1289128 -0.0325830 0.9723049 -0.1681388 0.0687535 -0.1228517 1.2079483 5 Na 1.1916892 0.0244369 -0.1289128 -0.0325830 0.9723049 0.1681388 -0.0687535 0.1228517 1.2079483 6 Na 1.1916892 0.0244369 0.1289128 -0.0325830 0.9723049 -0.1681388 0.0687535 -0.1228517 1.2079483 7 Na 1.0919913 0.0000000 0.0812035 -0.0000000 1.3616865 -0.0000000 0.1809367 0.0000000 1.0762966 8 Na 1.1916892 -0.0244369 0.1289128 0.0325830 0.9723049 0.1681388 0.0687535 0.1228517 1.2079483 9 Na 1.1916892 -0.0244369 -0.1289128 0.0325830 0.9723049 -0.1681388 -0.0687535 -0.1228517 1.2079483 10 Na 1.1916892 -0.0244369 0.1289128 0.0325830 0.9723049 0.1681388 0.0687535 0.1228517 1.2079483 11 Na 1.0919913 0.0000000 -0.0812035 -0.0000000 1.3616865 -0.0000000 -0.1809367 0.0000000 1.0762966 12 Na 1.1916892 0.0244369 -0.1289128 -0.0325830 0.9723049 0.1681388 -0.0687535 0.1228517 1.2079483 13 P 2.8228153 0.0822475 0.0752713 0.3556910 3.2018992 -0.0100631 0.3310197 0.2905200 2.7386146 14 P 2.7402260 0.0000000 -0.5762140 -0.0000000 2.7874678 -0.0000000 -0.0738108 0.0000000 3.1107076 15 P 2.7402260 0.0000000 0.5762140 -0.0000000 2.7874678 -0.0000000 0.0738108 0.0000000 3.1107076 16 P 2.8228153 -0.0822475 -0.0752713 -0.3556910 3.2018992 -0.0100631 -0.3310197 0.2905200 2.7386146 17 P 2.7402260 0.0000000 0.5762140 -0.0000000 2.7874678 -0.0000000 0.0738108 0.0000000 3.1107076 18 P 2.8228153 -0.0822475 0.0752713 -0.3556910 3.2018992 0.0100631 0.3310197 -0.2905200 2.7386146 19 P 2.8228153 0.0822475 0.0752713 0.3556910 3.2018992 -0.0100631 0.3310197 0.2905200 2.7386146 20 P 2.8228153 0.0822475 -0.0752713 0.3556910 3.2018992 0.0100631 -0.3310197 -0.2905200 2.7386146 21 P 2.8228153 -0.0822475 0.0752713 -0.3556910 3.2018992 0.0100631 0.3310197 -0.2905200 2.7386146 22 P 2.8228153 -0.0822475 -0.0752713 -0.3556910 3.2018992 -0.0100631 -0.3310197 0.2905200 2.7386146 23 P 2.7402260 0.0000000 -0.5762140 -0.0000000 2.7874678 -0.0000000 -0.0738108 0.0000000 3.1107076 24 P 2.8228153 0.0822475 -0.0752713 0.3556910 3.2018992 0.0100631 -0.3310197 -0.2905200 2.7386146 25 O -1.1160597 0.0000000 -0.1194088 -0.0000000 -1.0850150 -0.0000000 -0.3998768 0.0000000 -1.6663852 26 O -1.1160597 0.0000000 0.1194088 -0.0000000 -1.0850150 -0.0000000 0.3998768 0.0000000 -1.6663852 27 O -1.5952524 0.3642853 -0.6514698 0.3937091 -1.4188473 0.5160114 -0.6537318 0.5293859 -1.4962253 28 O -1.5952524 -0.3642853 -0.6514698 -0.3937091 -1.4188473 -0.5160114 -0.6537318 -0.5293859 -1.4962253 29 O -1.0611106 0.0348798 -0.0292236 0.0582817 -1.4611263 0.4464985 -0.0551568 0.4170938 -1.4283198 30 O -1.5952524 -0.3642853 0.6514698 -0.3937091 -1.4188473 0.5160114 0.6537318 0.5293859 -1.4962253 31 O -1.0611106 -0.0348798 -0.0292236 -0.0582817 -1.4611263 -0.4464985 -0.0551568 -0.4170938 -1.4283198 32 O -1.1160597 0.0000000 0.1194088 -0.0000000 -1.0850150 -0.0000000 0.3998768 0.0000000 -1.6663852 33 O -1.5952524 -0.3642853 -0.6514698 -0.3937091 -1.4188473 -0.5160114 -0.6537318 -0.5293859 -1.4962253 34 O -1.0611106 0.0348798 0.0292236 0.0582817 -1.4611263 -0.4464985 0.0551568 -0.4170938 -1.4283198 35 O -1.5952524 0.3642853 0.6514698 0.3937091 -1.4188473 -0.5160114 0.6537318 -0.5293859 -1.4962253 36 O -1.6480391 0.0000000 0.0482595 -0.0000000 -1.0320013 -0.0000000 0.1191044 0.0000000 -1.0242230 37 O -1.4878219 -0.1252597 -0.3495451 -0.2707656 -1.0187248 -0.2015336 -0.1717610 -0.0270385 -1.2500821 38 O -0.8087577 0.0000000 0.1105207 -0.0000000 -2.5831495 -0.0000000 0.1091867 0.0000000 -1.0402673 39 O -1.5952524 0.3642853 -0.6514698 0.3937091 -1.4188473 0.5160114 -0.6537318 0.5293859 -1.4962253 40 O -1.6480391 0.0000000 0.0482595 -0.0000000 -1.0320013 -0.0000000 0.1191044 0.0000000 -1.0242230 41 O -1.0611106 -0.0348798 -0.0292236 -0.0582817 -1.4611263 -0.4464985 -0.0551568 -0.4170938 -1.4283198 42 O -1.6480391 0.0000000 -0.0482595 -0.0000000 -1.0320013 -0.0000000 -0.1191044 0.0000000 -1.0242230 43 O -1.0611106 -0.0348798 0.0292236 -0.0582817 -1.4611263 0.4464985 0.0551568 0.4170938 -1.4283198 44 O -1.1160597 0.0000000 -0.1194088 -0.0000000 -1.0850150 -0.0000000 -0.3998768 0.0000000 -1.6663852 45 O -1.0611106 -0.0348798 0.0292236 -0.0582817 -1.4611263 0.4464985 0.0551568 0.4170938 -1.4283198 46 O -1.4878219 -0.1252597 0.3495451 -0.2707656 -1.0187248 0.2015336 0.1717610 0.0270385 -1.2500821 47 O -0.8087577 0.0000000 -0.1105207 -0.0000000 -2.5831495 -0.0000000 -0.1091867 0.0000000 -1.0402673 48 O -1.4878219 -0.1252597 0.3495451 -0.2707656 -1.0187248 0.2015336 0.1717610 0.0270385 -1.2500821 49 O -1.0611106 0.0348798 -0.0292236 0.0582817 -1.4611263 0.4464985 -0.0551568 0.4170938 -1.4283198 50 O -1.0611106 0.0348798 0.0292236 0.0582817 -1.4611263 -0.4464985 0.0551568 -0.4170938 -1.4283198 51 O -1.5952524 -0.3642853 0.6514698 -0.3937091 -1.4188473 0.5160114 0.6537318 0.5293859 -1.4962253 52 O -0.8087577 0.0000000 0.1105207 -0.0000000 -2.5831495 -0.0000000 0.1091867 0.0000000 -1.0402673 53 O -1.4878219 0.1252597 -0.3495451 0.2707656 -1.0187248 0.2015336 -0.1717610 0.0270385 -1.2500821 54 O -1.6480391 0.0000000 -0.0482595 -0.0000000 -1.0320013 -0.0000000 -0.1191044 0.0000000 -1.0242230 55 O -1.4878219 0.1252597 0.3495451 0.2707656 -1.0187248 -0.2015336 0.1717610 -0.0270385 -1.2500821 56 O -1.4878219 0.1252597 0.3495451 0.2707656 -1.0187248 -0.2015336 0.1717610 -0.0270385 -1.2500821 57 O -1.5952524 0.3642853 0.6514698 0.3937091 -1.4188473 -0.5160114 0.6537318 -0.5293859 -1.4962253 58 O -1.4878219 -0.1252597 -0.3495451 -0.2707656 -1.0187248 -0.2015336 -0.1717610 -0.0270385 -1.2500821 59 O -0.8087577 0.0000000 -0.1105207 -0.0000000 -2.5831495 -0.0000000 -0.1091867 0.0000000 -1.0402673 60 O -1.4878219 0.1252597 -0.3495451 0.2707656 -1.0187248 0.2015336 -0.1717610 0.0270385 -1.2500821 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 3, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 27, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 71, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 75, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yzy) 0.00000000 (yzy) 0.00000000 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 11:49:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:49:37]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.711424210000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.939443519999999 0.000000000000000 c 0.000000000000000 0.000000000000000 13.259580710000000 Atomic positions (fractional): 1 Na 0.81648523631396 0.00430550091153 0.42664795400352 22.990 2 Na 0.03587625560356 0.75000000000000 0.22189053626462 22.990 3 Na 0.46412374439644 0.25000000000000 0.72189053626462 22.990 4 Na 0.31648523631397 0.49569449908847 0.07335204599648 22.990 5 Na 0.18351476368604 0.50430550091153 0.57335204599648 22.990 6 Na 0.68351476368604 0.50430550091153 0.92664795400352 22.990 7 Na 0.96412374439644 0.25000000000000 0.77810946373538 22.990 8 Na 0.31648523631397 0.00430550091153 0.07335204599648 22.990 9 Na 0.18351476368604 0.99569449908847 0.57335204599648 22.990 10 Na 0.68351476368604 0.99569449908847 0.92664795400352 22.990 11 Na 0.53587625560356 0.75000000000000 0.27810946373538 22.990 12 Na 0.81648523631396 0.49569449908847 0.42664795400352 22.990 13 P 0.75295547087699 0.93282147097591 0.67119253946202 30.974 14 P 0.02167067994353 0.75000000000000 0.96167016038099 30.974 15 P 0.52167067994353 0.75000000000000 0.53832983961901 30.974 16 P 0.25295547087699 0.56717852902409 0.82880746053798 30.974 17 P 0.47832932005647 0.25000000000000 0.46167016038100 30.974 18 P 0.24704452912301 0.43282147097591 0.32880746053798 30.974 19 P 0.24704452912301 0.06717852902409 0.32880746053798 30.974 20 P 0.74704452912301 0.06717852902409 0.17119253946202 30.974 21 P 0.75295547087699 0.56717852902409 0.67119253946202 30.974 22 P 0.74704452912301 0.43282147097591 0.17119253946202 30.974 23 P 0.97832932005647 0.25000000000000 0.03832983961900 30.974 24 P 0.25295547087699 0.93282147097591 0.82880746053798 30.974 25 O 0.13838568977634 0.75000000000000 0.05243980380488 15.999 26 O 0.36161431022367 0.25000000000000 0.55243980380488 15.999 27 O 0.57059134368361 0.59162051015812 0.61069447539901 15.999 28 O 0.57059134368361 0.90837948984188 0.61069447539901 15.999 29 O 0.78106741752278 0.94091981929150 0.25271024179881 15.999 30 O 0.07059134368361 0.90837948984188 0.88930552460099 15.999 31 O 0.78106741752278 0.55908018070850 0.25271024179881 15.999 32 O 0.63838568977634 0.75000000000000 0.44756019619512 15.999 33 O 0.42940865631639 0.09162051015811 0.38930552460099 15.999 34 O 0.71893258247722 0.05908018070851 0.75271024179881 15.999 35 O 0.92940865631639 0.40837948984188 0.11069447539901 15.999 36 O 0.82976740456497 0.75000000000000 0.97353501686208 15.999 37 O 0.60425850568997 0.03791492697293 0.09756230660590 15.999 38 O 0.72790178195519 0.25000000000000 0.22508413023840 15.999 39 O 0.42940865631639 0.40837948984188 0.38930552460099 15.999 40 O 0.17023259543503 0.25000000000000 0.02646498313791 15.999 41 O 0.21893258247722 0.44091981929149 0.74728975820119 15.999 42 O 0.67023259543503 0.25000000000000 0.47353501686208 15.999 43 O 0.28106741752278 0.55908018070850 0.24728975820119 15.999 44 O 0.86161431022366 0.25000000000000 0.94756019619512 15.999 45 O 0.71893258247722 0.44091981929149 0.75271024179881 15.999 46 O 0.10425850568997 0.03791492697293 0.40243769339410 15.999 47 O 0.77209821804481 0.75000000000000 0.72508413023840 15.999 48 O 0.89574149431003 0.96208507302707 0.59756230660590 15.999 49 O 0.21893258247722 0.05908018070851 0.74728975820119 15.999 50 O 0.28106741752278 0.94091981929150 0.24728975820119 15.999 51 O 0.92940865631639 0.09162051015811 0.11069447539901 15.999 52 O 0.27209821804481 0.75000000000000 0.77491586976160 15.999 53 O 0.60425850568997 0.46208507302707 0.09756230660590 15.999 54 O 0.32976740456497 0.75000000000000 0.52646498313792 15.999 55 O 0.89574149431003 0.53791492697293 0.59756230660590 15.999 56 O 0.10425850568997 0.46208507302707 0.40243769339410 15.999 57 O 0.07059134368361 0.59162051015812 0.88930552460099 15.999 58 O 0.39574149431003 0.96208507302707 0.90243769339410 15.999 59 O 0.22790178195519 0.25000000000000 0.27491586976160 15.999 60 O 0.39574149431003 0.53791492697293 0.90243769339410 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.422848419999999 0.000000000000000 0.000000000000000 b 0.000000000000000 7.939443519999999 0.000000000000000 c 0.000000000000000 0.000000000000000 13.259580710000000 Atomic positions (fractional): 1 Na 0.40824261815698 0.00430550091153 0.42664795400352 22.990 > 1 2 Na 0.90824261815698 0.00430550091153 0.42664795400352 22.990 > 1 3 Na 0.01793812780178 0.75000000000000 0.22189053626462 22.990 > 3 4 Na 0.51793812780178 0.75000000000000 0.22189053626462 22.990 > 3 5 Na 0.23206187219822 0.25000000000000 0.72189053626462 22.990 > 5 6 Na 0.73206187219822 0.25000000000000 0.72189053626462 22.990 > 5 7 Na 0.15824261815698 0.49569449908847 0.07335204599648 22.990 > 7 8 Na 0.65824261815698 0.49569449908847 0.07335204599648 22.990 > 7 9 Na 0.09175738184302 0.50430550091153 0.57335204599648 22.990 > 9 10 Na 0.59175738184302 0.50430550091153 0.57335204599648 22.990 > 9 11 Na 0.34175738184302 0.50430550091153 0.92664795400352 22.990 > 11 12 Na 0.84175738184302 0.50430550091153 0.92664795400352 22.990 > 11 13 Na 0.48206187219822 0.25000000000000 0.77810946373538 22.990 > 13 14 Na 0.98206187219822 0.25000000000000 0.77810946373538 22.990 > 13 15 Na 0.15824261815698 0.00430550091153 0.07335204599648 22.990 > 15 16 Na 0.65824261815698 0.00430550091153 0.07335204599648 22.990 > 15 17 Na 0.09175738184302 0.99569449908847 0.57335204599648 22.990 > 17 18 Na 0.59175738184302 0.99569449908847 0.57335204599648 22.990 > 17 19 Na 0.34175738184302 0.99569449908847 0.92664795400352 22.990 > 19 20 Na 0.84175738184302 0.99569449908847 0.92664795400352 22.990 > 19 21 Na 0.26793812780178 0.75000000000000 0.27810946373538 22.990 > 21 22 Na 0.76793812780178 0.75000000000000 0.27810946373538 22.990 > 21 23 Na 0.40824261815698 0.49569449908847 0.42664795400352 22.990 > 23 24 Na 0.90824261815698 0.49569449908847 0.42664795400352 22.990 > 23 25 P 0.37647773543850 0.93282147097591 0.67119253946202 30.974 > 25 26 P 0.87647773543850 0.93282147097591 0.67119253946202 30.974 > 25 27 P 0.01083533997177 0.75000000000000 0.96167016038099 30.974 > 27 28 P 0.51083533997177 0.75000000000000 0.96167016038099 30.974 > 27 29 P 0.26083533997177 0.75000000000000 0.53832983961901 30.974 > 29 30 P 0.76083533997177 0.75000000000000 0.53832983961901 30.974 > 29 31 P 0.12647773543850 0.56717852902409 0.82880746053798 30.974 > 31 32 P 0.62647773543850 0.56717852902409 0.82880746053798 30.974 > 31 33 P 0.23916466002823 0.25000000000000 0.46167016038100 30.974 > 33 34 P 0.73916466002823 0.25000000000000 0.46167016038100 30.974 > 33 35 P 0.12352226456150 0.43282147097591 0.32880746053798 30.974 > 35 36 P 0.62352226456150 0.43282147097591 0.32880746053798 30.974 > 35 37 P 0.12352226456150 0.06717852902409 0.32880746053798 30.974 > 37 38 P 0.62352226456150 0.06717852902409 0.32880746053798 30.974 > 37 39 P 0.37352226456150 0.06717852902409 0.17119253946202 30.974 > 39 40 P 0.87352226456150 0.06717852902409 0.17119253946202 30.974 > 39 41 P 0.37647773543850 0.56717852902409 0.67119253946202 30.974 > 41 42 P 0.87647773543850 0.56717852902409 0.67119253946202 30.974 > 41 43 P 0.37352226456150 0.43282147097591 0.17119253946202 30.974 > 43 44 P 0.87352226456150 0.43282147097591 0.17119253946202 30.974 > 43 45 P 0.48916466002823 0.25000000000000 0.03832983961900 30.974 > 45 46 P 0.98916466002823 0.25000000000000 0.03832983961900 30.974 > 45 47 P 0.12647773543850 0.93282147097591 0.82880746053798 30.974 > 47 48 P 0.62647773543850 0.93282147097591 0.82880746053798 30.974 > 47 49 O 0.06919284488817 0.75000000000000 0.05243980380488 15.999 > 49 50 O 0.56919284488817 0.75000000000000 0.05243980380488 15.999 > 49 51 O 0.18080715511183 0.25000000000000 0.55243980380488 15.999 > 51 52 O 0.68080715511183 0.25000000000000 0.55243980380488 15.999 > 51 53 O 0.28529567184181 0.59162051015812 0.61069447539901 15.999 > 53 54 O 0.78529567184181 0.59162051015812 0.61069447539901 15.999 > 53 55 O 0.28529567184181 0.90837948984188 0.61069447539901 15.999 > 55 56 O 0.78529567184181 0.90837948984188 0.61069447539901 15.999 > 55 57 O 0.39053370876139 0.94091981929150 0.25271024179881 15.999 > 57 58 O 0.89053370876139 0.94091981929150 0.25271024179881 15.999 > 57 59 O 0.03529567184181 0.90837948984188 0.88930552460099 15.999 > 59 60 O 0.53529567184181 0.90837948984188 0.88930552460099 15.999 > 59 61 O 0.39053370876139 0.55908018070850 0.25271024179881 15.999 > 61 62 O 0.89053370876139 0.55908018070850 0.25271024179881 15.999 > 61 63 O 0.31919284488817 0.75000000000000 0.44756019619512 15.999 > 63 64 O 0.81919284488817 0.75000000000000 0.44756019619512 15.999 > 63 65 O 0.21470432815819 0.09162051015811 0.38930552460099 15.999 > 65 66 O 0.71470432815819 0.09162051015811 0.38930552460099 15.999 > 65 67 O 0.35946629123861 0.05908018070851 0.75271024179881 15.999 > 67 68 O 0.85946629123861 0.05908018070851 0.75271024179881 15.999 > 67 69 O 0.46470432815819 0.40837948984188 0.11069447539901 15.999 > 69 70 O 0.96470432815819 0.40837948984188 0.11069447539901 15.999 > 69 71 O 0.41488370228249 0.75000000000000 0.97353501686208 15.999 > 71 72 O 0.91488370228249 0.75000000000000 0.97353501686208 15.999 > 71 73 O 0.30212925284499 0.03791492697293 0.09756230660590 15.999 > 73 74 O 0.80212925284499 0.03791492697293 0.09756230660590 15.999 > 73 75 O 0.36395089097760 0.25000000000000 0.22508413023840 15.999 > 75 76 O 0.86395089097760 0.25000000000000 0.22508413023840 15.999 > 75 77 O 0.21470432815819 0.40837948984188 0.38930552460099 15.999 > 77 78 O 0.71470432815819 0.40837948984188 0.38930552460099 15.999 > 77 79 O 0.08511629771751 0.25000000000000 0.02646498313791 15.999 > 79 80 O 0.58511629771751 0.25000000000000 0.02646498313791 15.999 > 79 81 O 0.10946629123861 0.44091981929149 0.74728975820119 15.999 > 81 82 O 0.60946629123861 0.44091981929149 0.74728975820119 15.999 > 81 83 O 0.33511629771751 0.25000000000000 0.47353501686208 15.999 > 83 84 O 0.83511629771751 0.25000000000000 0.47353501686208 15.999 > 83 85 O 0.14053370876139 0.55908018070850 0.24728975820119 15.999 > 85 86 O 0.64053370876139 0.55908018070850 0.24728975820119 15.999 > 85 87 O 0.43080715511183 0.25000000000000 0.94756019619512 15.999 > 87 88 O 0.93080715511183 0.25000000000000 0.94756019619512 15.999 > 87 89 O 0.35946629123861 0.44091981929149 0.75271024179881 15.999 > 89 90 O 0.85946629123861 0.44091981929149 0.75271024179881 15.999 > 89 91 O 0.05212925284499 0.03791492697293 0.40243769339410 15.999 > 91 92 O 0.55212925284499 0.03791492697293 0.40243769339410 15.999 > 91 93 O 0.38604910902240 0.75000000000000 0.72508413023840 15.999 > 93 94 O 0.88604910902240 0.75000000000000 0.72508413023840 15.999 > 93 95 O 0.44787074715501 0.96208507302707 0.59756230660590 15.999 > 95 96 O 0.94787074715501 0.96208507302707 0.59756230660590 15.999 > 95 97 O 0.10946629123861 0.05908018070851 0.74728975820119 15.999 > 97 98 O 0.60946629123861 0.05908018070851 0.74728975820119 15.999 > 97 99 O 0.14053370876139 0.94091981929150 0.24728975820119 15.999 > 99 100 O 0.64053370876139 0.94091981929150 0.24728975820119 15.999 > 99 101 O 0.46470432815819 0.09162051015811 0.11069447539901 15.999 > 101 102 O 0.96470432815819 0.09162051015811 0.11069447539901 15.999 > 101 103 O 0.13604910902240 0.75000000000000 0.77491586976160 15.999 > 103 104 O 0.63604910902240 0.75000000000000 0.77491586976160 15.999 > 103 105 O 0.30212925284499 0.46208507302707 0.09756230660590 15.999 > 105 106 O 0.80212925284499 0.46208507302707 0.09756230660590 15.999 > 105 107 O 0.16488370228249 0.75000000000000 0.52646498313792 15.999 > 107 108 O 0.66488370228249 0.75000000000000 0.52646498313792 15.999 > 107 109 O 0.44787074715501 0.53791492697293 0.59756230660590 15.999 > 109 110 O 0.94787074715501 0.53791492697293 0.59756230660590 15.999 > 109 111 O 0.05212925284499 0.46208507302707 0.40243769339410 15.999 > 111 112 O 0.55212925284499 0.46208507302707 0.40243769339410 15.999 > 111 113 O 0.03529567184181 0.59162051015812 0.88930552460099 15.999 > 113 114 O 0.53529567184181 0.59162051015812 0.88930552460099 15.999 > 113 115 O 0.19787074715501 0.96208507302707 0.90243769339410 15.999 > 115 116 O 0.69787074715501 0.96208507302707 0.90243769339410 15.999 > 115 117 O 0.11395089097760 0.25000000000000 0.27491586976160 15.999 > 117 118 O 0.61395089097760 0.25000000000000 0.27491586976160 15.999 > 117 119 O 0.19787074715501 0.53791492697293 0.90243769339410 15.999 > 119 120 O 0.69787074715501 0.53791492697293 0.90243769339410 15.999 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.2562296 0.0000000 0.0000000 0.0000000 2.2932317 0.0000000 0.0000000 0.0000000 2.2754665 -------------------------- Born effective charges -------------------------- 1 Na 1.1916892 -0.0244369 -0.1289128 0.0325830 0.9723049 -0.1681388 -0.0687535 -0.1228517 1.2079483 2 Na 1.0919913 0.0000000 0.0812035 -0.0000000 1.3616865 -0.0000000 0.1809367 0.0000000 1.0762966 3 Na 1.0919913 0.0000000 -0.0812035 -0.0000000 1.3616865 -0.0000000 -0.1809367 0.0000000 1.0762966 4 Na 1.1916892 0.0244369 0.1289128 -0.0325830 0.9723049 -0.1681388 0.0687535 -0.1228517 1.2079483 5 Na 1.1916892 0.0244369 -0.1289128 -0.0325830 0.9723049 0.1681388 -0.0687535 0.1228517 1.2079483 6 Na 1.1916892 0.0244369 0.1289128 -0.0325830 0.9723049 -0.1681388 0.0687535 -0.1228517 1.2079483 7 Na 1.0919913 0.0000000 0.0812035 -0.0000000 1.3616865 -0.0000000 0.1809367 0.0000000 1.0762966 8 Na 1.1916892 -0.0244369 0.1289128 0.0325830 0.9723049 0.1681388 0.0687535 0.1228517 1.2079483 9 Na 1.1916892 -0.0244369 -0.1289128 0.0325830 0.9723049 -0.1681388 -0.0687535 -0.1228517 1.2079483 10 Na 1.1916892 -0.0244369 0.1289128 0.0325830 0.9723049 0.1681388 0.0687535 0.1228517 1.2079483 11 Na 1.0919913 0.0000000 -0.0812035 -0.0000000 1.3616865 -0.0000000 -0.1809367 0.0000000 1.0762966 12 Na 1.1916892 0.0244369 -0.1289128 -0.0325830 0.9723049 0.1681388 -0.0687535 0.1228517 1.2079483 13 P 2.8228153 0.0822475 0.0752713 0.3556910 3.2018992 -0.0100631 0.3310197 0.2905200 2.7386146 14 P 2.7402260 0.0000000 -0.5762140 -0.0000000 2.7874678 -0.0000000 -0.0738108 0.0000000 3.1107076 15 P 2.7402260 0.0000000 0.5762140 -0.0000000 2.7874678 -0.0000000 0.0738108 0.0000000 3.1107076 16 P 2.8228153 -0.0822475 -0.0752713 -0.3556910 3.2018992 -0.0100631 -0.3310197 0.2905200 2.7386146 17 P 2.7402260 0.0000000 0.5762140 -0.0000000 2.7874678 -0.0000000 0.0738108 0.0000000 3.1107076 18 P 2.8228153 -0.0822475 0.0752713 -0.3556910 3.2018992 0.0100631 0.3310197 -0.2905200 2.7386146 19 P 2.8228153 0.0822475 0.0752713 0.3556910 3.2018992 -0.0100631 0.3310197 0.2905200 2.7386146 20 P 2.8228153 0.0822475 -0.0752713 0.3556910 3.2018992 0.0100631 -0.3310197 -0.2905200 2.7386146 21 P 2.8228153 -0.0822475 0.0752713 -0.3556910 3.2018992 0.0100631 0.3310197 -0.2905200 2.7386146 22 P 2.8228153 -0.0822475 -0.0752713 -0.3556910 3.2018992 -0.0100631 -0.3310197 0.2905200 2.7386146 23 P 2.7402260 0.0000000 -0.5762140 -0.0000000 2.7874678 -0.0000000 -0.0738108 0.0000000 3.1107076 24 P 2.8228153 0.0822475 -0.0752713 0.3556910 3.2018992 0.0100631 -0.3310197 -0.2905200 2.7386146 25 O -1.1160597 0.0000000 -0.1194088 -0.0000000 -1.0850150 -0.0000000 -0.3998768 0.0000000 -1.6663852 26 O -1.1160597 0.0000000 0.1194088 -0.0000000 -1.0850150 -0.0000000 0.3998768 0.0000000 -1.6663852 27 O -1.5952524 0.3642853 -0.6514698 0.3937091 -1.4188473 0.5160114 -0.6537318 0.5293859 -1.4962253 28 O -1.5952524 -0.3642853 -0.6514698 -0.3937091 -1.4188473 -0.5160114 -0.6537318 -0.5293859 -1.4962253 29 O -1.0611106 0.0348798 -0.0292236 0.0582817 -1.4611263 0.4464985 -0.0551568 0.4170938 -1.4283198 30 O -1.5952524 -0.3642853 0.6514698 -0.3937091 -1.4188473 0.5160114 0.6537318 0.5293859 -1.4962253 31 O -1.0611106 -0.0348798 -0.0292236 -0.0582817 -1.4611263 -0.4464985 -0.0551568 -0.4170938 -1.4283198 32 O -1.1160597 0.0000000 0.1194088 -0.0000000 -1.0850150 -0.0000000 0.3998768 0.0000000 -1.6663852 33 O -1.5952524 -0.3642853 -0.6514698 -0.3937091 -1.4188473 -0.5160114 -0.6537318 -0.5293859 -1.4962253 34 O -1.0611106 0.0348798 0.0292236 0.0582817 -1.4611263 -0.4464985 0.0551568 -0.4170938 -1.4283198 35 O -1.5952524 0.3642853 0.6514698 0.3937091 -1.4188473 -0.5160114 0.6537318 -0.5293859 -1.4962253 36 O -1.6480391 0.0000000 0.0482595 -0.0000000 -1.0320013 -0.0000000 0.1191044 0.0000000 -1.0242230 37 O -1.4878219 -0.1252597 -0.3495451 -0.2707656 -1.0187248 -0.2015336 -0.1717610 -0.0270385 -1.2500821 38 O -0.8087577 0.0000000 0.1105207 -0.0000000 -2.5831495 -0.0000000 0.1091867 0.0000000 -1.0402673 39 O -1.5952524 0.3642853 -0.6514698 0.3937091 -1.4188473 0.5160114 -0.6537318 0.5293859 -1.4962253 40 O -1.6480391 0.0000000 0.0482595 -0.0000000 -1.0320013 -0.0000000 0.1191044 0.0000000 -1.0242230 41 O -1.0611106 -0.0348798 -0.0292236 -0.0582817 -1.4611263 -0.4464985 -0.0551568 -0.4170938 -1.4283198 42 O -1.6480391 0.0000000 -0.0482595 -0.0000000 -1.0320013 -0.0000000 -0.1191044 0.0000000 -1.0242230 43 O -1.0611106 -0.0348798 0.0292236 -0.0582817 -1.4611263 0.4464985 0.0551568 0.4170938 -1.4283198 44 O -1.1160597 0.0000000 -0.1194088 -0.0000000 -1.0850150 -0.0000000 -0.3998768 0.0000000 -1.6663852 45 O -1.0611106 -0.0348798 0.0292236 -0.0582817 -1.4611263 0.4464985 0.0551568 0.4170938 -1.4283198 46 O -1.4878219 -0.1252597 0.3495451 -0.2707656 -1.0187248 0.2015336 0.1717610 0.0270385 -1.2500821 47 O -0.8087577 0.0000000 -0.1105207 -0.0000000 -2.5831495 -0.0000000 -0.1091867 0.0000000 -1.0402673 48 O -1.4878219 -0.1252597 0.3495451 -0.2707656 -1.0187248 0.2015336 0.1717610 0.0270385 -1.2500821 49 O -1.0611106 0.0348798 -0.0292236 0.0582817 -1.4611263 0.4464985 -0.0551568 0.4170938 -1.4283198 50 O -1.0611106 0.0348798 0.0292236 0.0582817 -1.4611263 -0.4464985 0.0551568 -0.4170938 -1.4283198 51 O -1.5952524 -0.3642853 0.6514698 -0.3937091 -1.4188473 0.5160114 0.6537318 0.5293859 -1.4962253 52 O -0.8087577 0.0000000 0.1105207 -0.0000000 -2.5831495 -0.0000000 0.1091867 0.0000000 -1.0402673 53 O -1.4878219 0.1252597 -0.3495451 0.2707656 -1.0187248 0.2015336 -0.1717610 0.0270385 -1.2500821 54 O -1.6480391 0.0000000 -0.0482595 -0.0000000 -1.0320013 -0.0000000 -0.1191044 0.0000000 -1.0242230 55 O -1.4878219 0.1252597 0.3495451 0.2707656 -1.0187248 -0.2015336 0.1717610 -0.0270385 -1.2500821 56 O -1.4878219 0.1252597 0.3495451 0.2707656 -1.0187248 -0.2015336 0.1717610 -0.0270385 -1.2500821 57 O -1.5952524 0.3642853 0.6514698 0.3937091 -1.4188473 -0.5160114 0.6537318 -0.5293859 -1.4962253 58 O -1.4878219 -0.1252597 -0.3495451 -0.2707656 -1.0187248 -0.2015336 -0.1717610 -0.0270385 -1.2500821 59 O -0.8087577 0.0000000 -0.1105207 -0.0000000 -2.5831495 -0.0000000 -0.1091867 0.0000000 -1.0402673 60 O -1.4878219 0.1252597 -0.3495451 0.2707656 -1.0187248 0.2015336 -0.1717610 0.0270385 -1.2500821 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yzy) 0.00000000 (yzy) 0.00000000 (yyz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 6 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.45, Number of G-points: 299, Lambda: 0.07 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/48) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 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 1.276 ( 0.000 0.000 0.000) 0.000 1.387 ( 0.000 0.000 0.000) 0.000 1.603 ( 0.000 0.000 0.000) 0.000 1.661 ( 0.000 0.000 0.000) 0.000 1.774 ( 0.000 0.000 0.000) 0.000 1.907 ( 0.000 0.000 0.000) 0.000 2.366 ( 0.000 0.000 0.000) 0.000 2.516 ( 0.000 0.000 0.000) 0.000 2.518 ( 0.000 0.000 0.000) 0.000 2.548 ( 0.000 0.000 0.000) 0.000 2.621 ( 0.000 0.000 0.000) 0.000 2.768 ( 0.000 0.000 0.000) 0.000 2.859 ( 0.000 0.000 0.000) 0.000 2.944 ( 0.000 0.000 0.000) 0.000 2.945 ( 0.000 0.000 0.000) 0.000 3.001 ( 0.000 0.000 0.000) 0.000 3.003 ( 0.000 0.000 0.000) 0.000 3.031 ( 0.000 0.000 0.000) 0.000 3.087 ( 0.000 0.000 0.000) 0.000 3.133 ( 0.000 0.000 0.000) 0.000 3.243 ( 0.000 0.000 0.000) 0.000 3.313 ( 0.000 0.000 0.000) 0.000 3.481 ( 0.000 0.000 0.000) 0.000 3.702 ( 0.000 0.000 0.000) 0.000 3.720 ( 0.000 0.000 0.000) 0.000 3.775 ( 0.000 0.000 0.000) 0.000 3.876 ( 0.000 0.000 0.000) 0.000 3.944 ( 0.000 0.000 0.000) 0.000 4.065 ( 0.000 0.000 0.000) 0.000 4.145 ( 0.000 0.000 0.000) 0.000 4.208 ( 0.000 0.000 0.000) 0.000 4.209 ( 0.000 0.000 0.000) 0.000 4.234 ( 0.000 0.000 0.000) 0.000 4.386 ( 0.000 0.000 0.000) 0.000 4.552 ( 0.000 0.000 0.000) 0.000 4.605 ( 0.000 0.000 0.000) 0.000 4.626 ( 0.000 0.000 0.000) 0.000 4.713 ( 0.000 0.000 0.000) 0.000 4.737 ( 0.000 0.000 0.000) 0.000 4.852 ( 0.000 0.000 0.000) 0.000 4.919 ( 0.000 0.000 0.000) 0.000 4.929 ( 0.000 0.000 0.000) 0.000 4.943 ( 0.000 0.000 0.000) 0.000 4.962 ( 0.000 0.000 0.000) 0.000 4.968 ( 0.000 0.000 0.000) 0.000 5.066 ( 0.000 0.000 0.000) 0.000 5.077 ( 0.000 0.000 0.000) 0.000 5.098 ( 0.000 0.000 0.000) 0.000 5.236 ( 0.000 0.000 0.000) 0.000 5.480 ( 0.000 0.000 0.000) 0.000 5.718 ( 0.000 0.000 0.000) 0.000 5.748 ( 0.000 0.000 0.000) 0.000 5.943 ( 0.000 0.000 0.000) 0.000 5.966 ( 0.000 0.000 0.000) 0.000 6.002 ( 0.000 0.000 0.000) 0.000 6.091 ( 0.000 0.000 0.000) 0.000 6.092 ( 0.000 0.000 0.000) 0.000 6.166 ( 0.000 0.000 0.000) 0.000 6.295 ( 0.000 0.000 0.000) 0.000 6.301 ( 0.000 0.000 0.000) 0.000 6.369 ( 0.000 0.000 0.000) 0.000 6.374 ( 0.000 0.000 0.000) 0.000 6.382 ( 0.000 0.000 0.000) 0.000 6.548 ( 0.000 0.000 0.000) 0.000 6.570 ( 0.000 0.000 0.000) 0.000 6.808 ( 0.000 0.000 0.000) 0.000 6.843 ( 0.000 0.000 0.000) 0.000 6.843 ( 0.000 0.000 0.000) 0.000 7.171 ( 0.000 0.000 0.000) 0.000 8.132 ( 0.000 0.000 0.000) 0.000 8.144 ( 0.000 0.000 0.000) 0.000 8.191 ( 0.000 0.000 0.000) 0.000 8.313 ( 0.000 0.000 0.000) 0.000 8.651 ( 0.000 0.000 0.000) 0.000 8.778 ( 0.000 0.000 0.000) 0.000 8.801 ( 0.000 0.000 0.000) 0.000 8.814 ( 0.000 0.000 0.000) 0.000 8.911 ( 0.000 0.000 0.000) 0.000 9.056 ( 0.000 0.000 0.000) 0.000 9.144 ( 0.000 0.000 0.000) 0.000 9.194 ( 0.000 0.000 0.000) 0.000 9.396 ( 0.000 0.000 0.000) 0.000 9.403 ( 0.000 0.000 0.000) 0.000 9.653 ( 0.000 0.000 0.000) 0.000 9.670 ( 0.000 0.000 0.000) 0.000 9.854 ( 0.000 0.000 0.000) 0.000 9.878 ( 0.000 0.000 0.000) 0.000 9.953 ( 0.000 0.000 0.000) 0.000 10.074 ( 0.000 0.000 0.000) 0.000 10.593 ( 0.000 0.000 0.000) 0.000 10.636 ( 0.000 0.000 0.000) 0.000 10.750 ( 0.000 0.000 0.000) 0.000 10.766 ( 0.000 0.000 0.000) 0.000 10.866 ( 0.000 0.000 0.000) 0.000 10.890 ( 0.000 0.000 0.000) 0.000 10.950 ( 0.000 0.000 0.000) 0.000 10.953 ( 0.000 0.000 0.000) 0.000 10.974 ( 0.000 0.000 0.000) 0.000 11.074 ( 0.000 0.000 0.000) 0.000 11.172 ( 0.000 0.000 0.000) 0.000 11.250 ( 0.000 0.000 0.000) 0.000 13.422 ( 0.000 0.000 0.000) 0.000 13.475 ( 0.000 0.000 0.000) 0.000 13.529 ( 0.000 0.000 0.000) 0.000 13.559 ( 0.000 0.000 0.000) 0.000 14.383 ( 0.000 0.000 0.000) 0.000 14.428 ( 0.000 0.000 0.000) 0.000 14.506 ( 0.000 0.000 0.000) 0.000 14.591 ( 0.000 0.000 0.000) 0.000 14.593 ( 0.000 0.000 0.000) 0.000 14.594 ( 0.000 0.000 0.000) 0.000 14.611 ( 0.000 0.000 0.000) 0.000 14.615 ( 0.000 0.000 0.000) 0.000 14.761 ( 0.000 0.000 0.000) 0.000 14.782 ( 0.000 0.000 0.000) 0.000 14.977 ( 0.000 0.000 0.000) 0.000 14.992 ( 0.000 0.000 0.000) 0.000 15.090 ( 0.000 0.000 0.000) 0.000 15.091 ( 0.000 0.000 0.000) 0.000 15.132 ( 0.000 0.000 0.000) 0.000 15.220 ( 0.000 0.000 0.000) 0.000 15.223 ( 0.000 0.000 0.000) 0.000 15.297 ( 0.000 0.000 0.000) 0.000 15.324 ( 0.000 0.000 0.000) 0.000 15.382 ( 0.000 0.000 0.000) 0.000 18.062 ( 0.000 0.000 0.000) 0.000 18.079 ( 0.000 0.000 0.000) 0.000 18.107 ( 0.000 0.000 0.000) 0.000 18.109 ( 0.000 0.000 0.000) 0.000 19.411 ( 0.000 0.000 0.000) 0.000 19.474 ( 0.000 0.000 0.000) 0.000 19.536 ( 0.000 0.000 0.000) 0.000 19.597 ( 0.000 0.000 0.000) 0.000 21.683 ( 0.000 0.000 0.000) 0.000 21.900 ( 0.000 0.000 0.000) 0.000 22.064 ( 0.000 0.000 0.000) 0.000 22.134 ( 0.000 0.000 0.000) 0.000 22.355 ( 0.000 0.000 0.000) 0.000 22.569 ( 0.000 0.000 0.000) 0.000 22.622 ( 0.000 0.000 0.000) 0.000 22.812 ( 0.000 0.000 0.000) 0.000 24.533 ( 0.000 0.000 0.000) 0.000 24.541 ( 0.000 0.000 0.000) 0.000 24.541 ( 0.000 0.000 0.000) 0.000 24.550 ( 0.000 0.000 0.000) 0.000 27.923 ( 0.000 0.000 0.000) 0.000 28.046 ( 0.000 0.000 0.000) 0.000 28.061 ( 0.000 0.000 0.000) 0.000 28.115 ( 0.000 0.000 0.000) 0.000 28.423 ( 0.000 0.000 0.000) 0.000 28.447 ( 0.000 0.000 0.000) 0.000 28.571 ( 0.000 0.000 0.000) 0.000 28.749 ( 0.000 0.000 0.000) 0.000 31.355 ( 0.000 0.000 0.000) 0.000 31.517 ( 0.000 0.000 0.000) 0.000 31.576 ( 0.000 0.000 0.000) 0.000 31.647 ( 0.000 0.000 0.000) 0.000 31.749 ( 0.000 0.000 0.000) 0.000 31.763 ( 0.000 0.000 0.000) 0.000 31.958 ( 0.000 0.000 0.000) 0.000 32.232 ( 0.000 0.000 0.000) 0.000 33.345 ( 0.000 0.000 0.000) 0.000 33.430 ( 0.000 0.000 0.000) 0.000 33.604 ( 0.000 0.000 0.000) 0.000 33.713 ( 0.000 0.000 0.000) 0.000 36.487 ( 0.000 0.000 0.000) 0.000 36.653 ( 0.000 0.000 0.000) 0.000 36.688 ( 0.000 0.000 0.000) 0.000 36.728 ( 0.000 0.000 0.000) 0.000 36.786 ( 0.000 0.000 0.000) 0.000 36.837 ( 0.000 0.000 0.000) 0.000 37.123 ( 0.000 0.000 0.000) 0.000 37.207 ( 0.000 0.000 0.000) 0.000 37.322 ( 0.000 0.000 0.000) 0.000 37.344 ( 0.000 0.000 0.000) 0.000 37.772 ( 0.000 0.000 0.000) 0.000 38.367 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/48) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.398 ( 18.193 0.000 0.000) 18.193 0.579 ( 26.173 0.000 0.000) 26.173 0.909 ( 39.046 0.000 0.000) 39.046 1.286 ( -0.169 0.000 0.000) 0.169 1.427 ( 3.276 0.000 0.000) 3.276 1.571 ( -3.046 0.000 0.000) 3.046 1.732 ( 5.652 0.000 0.000) 5.652 1.847 ( 6.916 0.000 0.000) 6.916 2.037 ( 10.008 0.000 0.000) 10.008 2.274 ( -9.908 0.000 0.000) 9.908 2.423 ( -7.338 0.000 0.000) 7.338 2.455 ( -4.665 0.000 0.000) 4.665 2.462 ( -5.359 0.000 0.000) 5.359 2.560 ( -4.949 0.000 0.000) 4.949 2.787 ( 0.351 0.000 0.000) 0.351 2.834 ( -6.106 0.000 0.000) 6.106 2.845 ( -8.133 0.000 0.000) 8.133 2.902 ( -0.793 0.000 0.000) 0.793 2.904 ( -3.734 0.000 0.000) 3.734 3.007 ( 0.256 0.000 0.000) 0.256 3.058 ( 3.540 0.000 0.000) 3.540 3.213 ( 5.771 0.000 0.000) 5.771 3.217 ( 5.510 0.000 0.000) 5.510 3.254 ( -1.703 0.000 0.000) 1.703 3.301 ( 4.401 0.000 0.000) 4.401 3.580 ( 9.133 0.000 0.000) 9.133 3.597 ( -8.435 0.000 0.000) 8.435 3.719 ( 0.039 0.000 0.000) 0.039 3.813 ( 3.684 0.000 0.000) 3.684 3.900 ( -3.217 0.000 0.000) 3.217 4.058 ( 13.353 0.000 0.000) 13.353 4.098 ( 1.159 0.000 0.000) 1.159 4.099 ( -7.532 0.000 0.000) 7.532 4.140 ( -0.773 0.000 0.000) 0.773 4.216 ( -4.763 0.000 0.000) 4.763 4.238 ( 2.316 0.000 0.000) 2.316 4.457 ( -7.282 0.000 0.000) 7.282 4.560 ( -5.248 0.000 0.000) 5.248 4.576 ( -9.849 0.000 0.000) 9.849 4.583 ( 2.677 0.000 0.000) 2.677 4.639 ( 2.195 0.000 0.000) 2.195 4.716 ( 0.154 0.000 0.000) 0.154 4.758 ( -7.087 0.000 0.000) 7.087 4.777 ( -9.096 0.000 0.000) 9.096 4.817 ( -15.017 0.000 0.000) 15.017 4.901 ( -2.174 0.000 0.000) 2.174 4.921 ( -3.054 0.000 0.000) 3.054 5.003 ( 0.426 0.000 0.000) 0.426 5.007 ( -6.817 0.000 0.000) 6.817 5.033 ( 1.063 0.000 0.000) 1.063 5.247 ( 1.023 0.000 0.000) 1.023 5.259 ( 5.956 0.000 0.000) 5.956 5.462 ( -1.234 0.000 0.000) 1.234 5.688 ( -2.438 0.000 0.000) 2.438 5.759 ( 0.791 0.000 0.000) 0.791 5.937 ( -2.846 0.000 0.000) 2.846 6.010 ( -3.277 0.000 0.000) 3.277 6.054 ( 4.912 0.000 0.000) 4.912 6.058 ( -2.983 0.000 0.000) 2.983 6.119 ( -8.996 0.000 0.000) 8.996 6.221 ( 10.670 0.000 0.000) 10.670 6.296 ( 2.295 0.000 0.000) 2.295 6.341 ( 8.467 0.000 0.000) 8.467 6.384 ( 0.935 0.000 0.000) 0.935 6.425 ( -6.179 0.000 0.000) 6.179 6.506 ( 9.942 0.000 0.000) 9.942 6.553 ( 11.417 0.000 0.000) 11.417 6.593 ( -4.087 0.000 0.000) 4.087 6.774 ( 4.630 0.000 0.000) 4.630 6.946 ( 7.336 0.000 0.000) 7.336 7.017 ( 8.465 0.000 0.000) 8.465 7.908 ( -11.564 0.000 0.000) 11.564 8.129 ( -0.191 0.000 0.000) 0.191 8.134 ( -0.628 0.000 0.000) 0.628 8.202 ( 0.826 0.000 0.000) 0.826 8.302 ( -1.009 0.000 0.000) 1.009 8.663 ( 0.941 0.000 0.000) 0.941 8.762 ( -1.356 0.000 0.000) 1.356 8.796 ( -0.471 0.000 0.000) 0.471 8.822 ( -1.119 0.000 0.000) 1.119 8.915 ( 0.475 0.000 0.000) 0.475 9.055 ( -0.062 0.000 0.000) 0.062 9.133 ( -1.008 0.000 0.000) 1.008 9.164 ( -2.669 0.000 0.000) 2.669 9.424 ( 1.821 0.000 0.000) 1.821 9.540 ( 1.443 0.000 0.000) 1.443 9.631 ( -1.613 0.000 0.000) 1.613 9.671 ( -0.291 0.000 0.000) 0.291 9.846 ( -0.707 0.000 0.000) 0.707 9.858 ( -1.634 0.000 0.000) 1.634 9.962 ( 0.749 0.000 0.000) 0.749 10.060 ( -1.225 0.000 0.000) 1.225 10.644 ( 0.513 0.000 0.000) 0.513 10.696 ( 2.665 0.000 0.000) 2.665 10.711 ( -2.000 0.000 0.000) 2.000 10.797 ( 1.545 0.000 0.000) 1.545 10.873 ( 0.673 0.000 0.000) 0.673 10.905 ( 1.223 0.000 0.000) 1.223 10.948 ( -0.319 0.000 0.000) 0.319 10.959 ( 0.553 0.000 0.000) 0.553 11.014 ( 3.693 0.000 0.000) 3.693 11.123 ( 3.801 0.000 0.000) 3.801 11.198 ( 2.103 0.000 0.000) 2.103 11.298 ( -0.242 0.000 0.000) 0.242 13.424 ( 0.168 0.000 0.000) 0.168 13.467 ( -0.681 0.000 0.000) 0.681 13.531 ( 0.171 0.000 0.000) 0.171 13.555 ( -0.290 0.000 0.000) 0.290 14.386 ( 0.174 0.000 0.000) 0.174 14.421 ( -0.634 0.000 0.000) 0.634 14.532 ( 0.643 0.000 0.000) 0.643 14.592 ( -0.167 0.000 0.000) 0.167 14.594 ( 0.212 0.000 0.000) 0.212 14.597 ( 0.362 0.000 0.000) 0.362 14.602 ( -0.538 0.000 0.000) 0.538 14.615 ( -0.121 0.000 0.000) 0.121 14.752 ( -0.712 0.000 0.000) 0.712 14.772 ( -0.822 0.000 0.000) 0.822 14.979 ( 0.120 0.000 0.000) 0.120 14.990 ( -0.165 0.000 0.000) 0.165 15.091 ( 0.078 0.000 0.000) 0.078 15.137 ( 0.418 0.000 0.000) 0.418 15.214 ( -0.839 0.000 0.000) 0.839 15.224 ( 0.407 0.000 0.000) 0.407 15.299 ( 0.067 0.000 0.000) 0.067 15.317 ( -0.237 0.000 0.000) 0.237 15.374 ( -0.698 0.000 0.000) 0.698 15.436 ( -5.595 0.000 0.000) 5.595 18.077 ( 0.817 0.000 0.000) 0.817 18.087 ( 0.482 0.000 0.000) 0.482 18.104 ( -0.211 0.000 0.000) 0.211 18.117 ( 0.491 0.000 0.000) 0.491 19.409 ( -0.125 0.000 0.000) 0.125 19.461 ( -1.066 0.000 0.000) 1.066 19.546 ( 0.909 0.000 0.000) 0.909 19.700 ( -0.841 0.000 0.000) 0.841 21.699 ( 1.474 0.000 0.000) 1.474 21.887 ( -1.157 0.000 0.000) 1.157 22.100 ( 3.054 0.000 0.000) 3.054 22.343 ( -1.160 0.000 0.000) 1.160 22.505 ( -0.523 0.000 0.000) 0.523 22.548 ( -1.727 0.000 0.000) 1.727 22.629 ( 0.662 0.000 0.000) 0.662 22.793 ( -1.737 0.000 0.000) 1.737 24.534 ( 0.071 0.000 0.000) 0.071 24.541 ( -0.016 0.000 0.000) 0.016 24.543 ( 0.091 0.000 0.000) 0.091 24.550 ( -0.042 0.000 0.000) 0.042 27.967 ( 3.990 0.000 0.000) 3.990 28.083 ( 2.018 0.000 0.000) 2.018 28.092 ( 3.977 0.000 0.000) 3.977 28.141 ( 2.210 0.000 0.000) 2.210 28.396 ( -2.444 0.000 0.000) 2.444 28.573 ( 0.373 0.000 0.000) 0.373 28.681 ( -6.002 0.000 0.000) 6.002 29.085 ( -4.760 0.000 0.000) 4.760 31.371 ( 1.395 0.000 0.000) 1.395 31.496 ( -1.099 0.000 0.000) 1.099 31.644 ( 5.259 0.000 0.000) 5.259 31.662 ( 1.273 0.000 0.000) 1.273 31.748 ( -0.083 0.000 0.000) 0.083 31.766 ( 0.355 0.000 0.000) 0.355 31.936 ( -1.957 0.000 0.000) 1.957 32.503 ( -9.581 0.000 0.000) 9.581 33.372 ( 2.377 0.000 0.000) 2.377 33.452 ( 1.942 0.000 0.000) 1.942 33.672 ( -2.304 0.000 0.000) 2.304 33.705 ( -1.107 0.000 0.000) 1.107 36.504 ( 1.602 0.000 0.000) 1.602 36.642 ( -1.324 0.000 0.000) 1.324 36.714 ( -1.267 0.000 0.000) 1.267 36.727 ( 3.392 0.000 0.000) 3.392 36.818 ( 2.257 0.000 0.000) 2.257 36.834 ( -0.389 0.000 0.000) 0.389 37.101 ( -2.068 0.000 0.000) 2.068 37.103 ( -8.073 0.000 0.000) 8.073 37.321 ( -0.062 0.000 0.000) 0.062 37.336 ( -0.690 0.000 0.000) 0.690 38.445 ( 5.960 0.000 0.000) 5.960 38.688 ( 0.244 0.000 0.000) 0.244 ======================= Grid point 2 (3/48) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( 16.301 0.000 0.000) 16.301 1.112 ( 22.470 0.000 0.000) 22.470 1.234 ( -4.652 0.000 0.000) 4.652 1.472 ( -5.597 0.000 0.000) 5.597 1.475 ( -1.117 0.000 0.000) 1.117 1.533 ( 12.954 0.000 0.000) 12.954 1.906 ( 12.178 0.000 0.000) 12.178 2.043 ( -5.314 0.000 0.000) 5.314 2.053 ( 10.798 0.000 0.000) 10.798 2.172 ( -1.936 0.000 0.000) 1.936 2.323 ( 1.669 0.000 0.000) 1.669 2.346 ( -4.571 0.000 0.000) 4.571 2.361 ( -4.571 0.000 0.000) 4.571 2.456 ( -3.683 0.000 0.000) 3.683 2.538 ( -17.330 0.000 0.000) 17.330 2.673 ( -8.187 0.000 0.000) 8.187 2.753 ( -2.528 0.000 0.000) 2.528 2.811 ( -4.476 0.000 0.000) 4.476 2.995 ( 8.000 0.000 0.000) 8.000 3.031 ( 2.573 0.000 0.000) 2.573 3.228 ( 11.019 0.000 0.000) 11.019 3.312 ( 5.877 0.000 0.000) 5.877 3.322 ( 4.478 0.000 0.000) 4.478 3.324 ( 6.855 0.000 0.000) 6.855 3.430 ( -4.624 0.000 0.000) 4.624 3.444 ( 6.379 0.000 0.000) 6.379 3.700 ( -2.421 0.000 0.000) 2.421 3.795 ( 5.030 0.000 0.000) 5.030 3.853 ( -2.580 0.000 0.000) 2.580 3.870 ( 1.394 0.000 0.000) 1.394 3.888 ( -13.164 0.000 0.000) 13.164 4.021 ( -9.446 0.000 0.000) 9.446 4.070 ( -4.078 0.000 0.000) 4.078 4.074 ( -6.298 0.000 0.000) 6.298 4.238 ( -5.050 0.000 0.000) 5.050 4.293 ( 2.650 0.000 0.000) 2.650 4.305 ( 7.130 0.000 0.000) 7.130 4.418 ( -4.224 0.000 0.000) 4.224 4.492 ( -2.659 0.000 0.000) 2.659 4.521 ( -7.579 0.000 0.000) 7.579 4.595 ( -6.455 0.000 0.000) 6.455 4.606 ( -6.193 0.000 0.000) 6.193 4.659 ( 2.887 0.000 0.000) 2.887 4.697 ( 1.389 0.000 0.000) 1.389 4.748 ( 2.329 0.000 0.000) 2.329 4.859 ( -1.909 0.000 0.000) 1.909 4.881 ( -1.578 0.000 0.000) 1.578 4.897 ( 0.325 0.000 0.000) 0.325 4.981 ( -2.125 0.000 0.000) 2.125 5.077 ( 1.242 0.000 0.000) 1.242 5.270 ( 0.298 0.000 0.000) 0.298 5.289 ( -3.011 0.000 0.000) 3.011 5.465 ( 2.881 0.000 0.000) 2.881 5.661 ( 0.988 0.000 0.000) 0.988 5.781 ( 1.494 0.000 0.000) 1.494 5.845 ( -5.334 0.000 0.000) 5.334 5.861 ( -11.648 0.000 0.000) 11.648 5.920 ( -4.497 0.000 0.000) 4.497 6.071 ( 2.232 0.000 0.000) 2.232 6.122 ( 2.602 0.000 0.000) 2.602 6.234 ( -2.194 0.000 0.000) 2.194 6.292 ( -6.124 0.000 0.000) 6.124 6.406 ( 1.101 0.000 0.000) 1.101 6.496 ( -3.790 0.000 0.000) 3.790 6.542 ( 11.195 0.000 0.000) 11.195 6.572 ( 9.525 0.000 0.000) 9.525 6.731 ( 9.248 0.000 0.000) 9.248 6.777 ( 7.894 0.000 0.000) 7.894 6.927 ( 9.010 0.000 0.000) 9.010 7.085 ( 4.608 0.000 0.000) 4.608 7.159 ( 4.421 0.000 0.000) 4.421 7.592 ( -16.446 0.000 0.000) 16.446 8.123 ( -0.317 0.000 0.000) 0.317 8.125 ( -0.224 0.000 0.000) 0.224 8.221 ( 0.919 0.000 0.000) 0.919 8.274 ( -1.495 0.000 0.000) 1.495 8.685 ( 1.035 0.000 0.000) 1.035 8.731 ( -1.259 0.000 0.000) 1.259 8.783 ( -0.597 0.000 0.000) 0.597 8.796 ( -1.173 0.000 0.000) 1.173 8.938 ( 1.800 0.000 0.000) 1.800 9.056 ( 0.277 0.000 0.000) 0.277 9.085 ( -4.115 0.000 0.000) 4.115 9.105 ( -1.698 0.000 0.000) 1.698 9.475 ( 2.704 0.000 0.000) 2.704 9.578 ( 1.960 0.000 0.000) 1.960 9.589 ( -2.288 0.000 0.000) 2.288 9.654 ( -1.257 0.000 0.000) 1.257 9.823 ( -1.318 0.000 0.000) 1.318 9.826 ( -1.013 0.000 0.000) 1.013 9.981 ( 0.922 0.000 0.000) 0.922 10.029 ( -1.443 0.000 0.000) 1.443 10.654 ( 0.453 0.000 0.000) 0.453 10.678 ( -1.011 0.000 0.000) 1.011 10.762 ( 2.985 0.000 0.000) 2.985 10.821 ( 0.488 0.000 0.000) 0.488 10.894 ( 1.124 0.000 0.000) 1.124 10.936 ( 1.461 0.000 0.000) 1.461 10.937 ( -0.703 0.000 0.000) 0.703 10.968 ( 0.171 0.000 0.000) 0.171 11.120 ( 5.517 0.000 0.000) 5.517 11.207 ( 3.426 0.000 0.000) 3.426 11.244 ( 1.686 0.000 0.000) 1.686 11.283 ( -1.417 0.000 0.000) 1.417 13.429 ( 0.319 0.000 0.000) 0.319 13.451 ( -0.706 0.000 0.000) 0.706 13.535 ( 0.193 0.000 0.000) 0.193 13.548 ( -0.382 0.000 0.000) 0.382 14.389 ( 0.153 0.000 0.000) 0.153 14.405 ( -0.677 0.000 0.000) 0.677 14.553 ( 1.207 0.000 0.000) 1.207 14.588 ( -0.176 0.000 0.000) 0.176 14.592 ( -0.409 0.000 0.000) 0.409 14.595 ( -0.309 0.000 0.000) 0.309 14.606 ( 0.327 0.000 0.000) 0.327 14.612 ( -0.134 0.000 0.000) 0.134 14.739 ( -0.342 0.000 0.000) 0.342 14.753 ( -0.807 0.000 0.000) 0.807 14.981 ( 0.088 0.000 0.000) 0.088 14.986 ( -0.182 0.000 0.000) 0.182 15.100 ( 0.952 0.000 0.000) 0.952 15.149 ( 0.706 0.000 0.000) 0.706 15.191 ( -1.147 0.000 0.000) 1.147 15.224 ( -2.065 0.000 0.000) 2.065 15.270 ( -2.363 0.000 0.000) 2.363 15.294 ( -0.607 0.000 0.000) 0.607 15.360 ( -0.434 0.000 0.000) 0.434 15.360 ( -0.722 0.000 0.000) 0.722 18.083 ( 0.187 0.000 0.000) 0.187 18.098 ( -0.360 0.000 0.000) 0.360 18.110 ( 1.093 0.000 0.000) 1.093 18.126 ( 0.303 0.000 0.000) 0.303 19.406 ( -0.073 0.000 0.000) 0.073 19.434 ( -1.305 0.000 0.000) 1.305 19.576 ( 1.796 0.000 0.000) 1.796 19.669 ( -1.933 0.000 0.000) 1.933 21.743 ( 2.439 0.000 0.000) 2.439 21.851 ( -2.119 0.000 0.000) 2.119 22.177 ( 3.717 0.000 0.000) 3.717 22.307 ( -2.134 0.000 0.000) 2.134 22.492 ( -0.570 0.000 0.000) 0.570 22.509 ( -1.607 0.000 0.000) 1.607 22.652 ( 1.440 0.000 0.000) 1.440 22.744 ( -2.519 0.000 0.000) 2.519 24.536 ( 0.111 0.000 0.000) 0.111 24.540 ( -0.052 0.000 0.000) 0.052 24.545 ( 0.108 0.000 0.000) 0.108 24.548 ( -0.062 0.000 0.000) 0.062 28.092 ( 7.336 0.000 0.000) 7.336 28.147 ( 3.891 0.000 0.000) 3.891 28.188 ( 3.937 0.000 0.000) 3.937 28.196 ( 2.475 0.000 0.000) 2.475 28.324 ( -4.078 0.000 0.000) 4.078 28.507 ( -9.574 0.000 0.000) 9.574 28.609 ( 3.723 0.000 0.000) 3.723 28.938 ( -8.439 0.000 0.000) 8.439 31.409 ( 1.884 0.000 0.000) 1.884 31.474 ( -1.041 0.000 0.000) 1.041 31.697 ( 1.827 0.000 0.000) 1.827 31.744 ( -0.346 0.000 0.000) 0.346 31.780 ( 1.069 0.000 0.000) 1.069 31.790 ( 8.229 0.000 0.000) 8.229 31.881 ( -2.960 0.000 0.000) 2.960 32.254 ( -12.419 0.000 0.000) 12.419 33.439 ( 3.694 0.000 0.000) 3.694 33.510 ( 3.305 0.000 0.000) 3.305 33.607 ( -3.573 0.000 0.000) 3.573 33.661 ( -2.876 0.000 0.000) 2.876 36.552 ( 2.737 0.000 0.000) 2.737 36.634 ( 0.910 0.000 0.000) 0.910 36.674 ( -2.347 0.000 0.000) 2.347 36.797 ( -3.885 0.000 0.000) 3.885 36.822 ( 5.153 0.000 0.000) 5.153 36.863 ( 1.729 0.000 0.000) 1.729 36.943 ( -4.844 0.000 0.000) 4.844 37.036 ( -3.907 0.000 0.000) 3.907 37.319 ( -0.136 0.000 0.000) 0.136 37.321 ( -0.492 0.000 0.000) 0.492 38.573 ( 5.135 0.000 0.000) 5.135 38.687 ( -0.572 0.000 0.000) 0.572 ======================= Grid point 3 (4/48) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( -10.748 0.000 0.000) 10.748 1.076 ( 10.748 0.000 0.000) 10.748 1.402 ( -1.339 0.000 0.000) 1.339 1.402 ( 1.339 0.000 0.000) 1.339 1.501 ( -11.902 0.000 0.000) 11.902 1.501 ( 11.902 0.000 0.000) 11.902 2.097 ( -3.525 0.000 0.000) 3.525 2.097 ( 3.525 0.000 0.000) 3.525 2.155 ( -12.118 0.000 0.000) 12.118 2.155 ( 12.118 0.000 0.000) 12.118 2.257 ( -4.660 0.000 0.000) 4.660 2.257 ( 4.660 0.000 0.000) 4.660 2.333 ( -2.497 0.000 0.000) 2.497 2.333 ( 2.497 0.000 0.000) 2.497 2.500 ( -6.479 0.000 0.000) 6.479 2.500 ( 6.479 0.000 0.000) 6.479 2.731 ( -1.769 0.000 0.000) 1.769 2.731 ( 1.769 0.000 0.000) 1.769 3.091 ( -0.961 0.000 0.000) 0.961 3.091 ( 0.961 0.000 0.000) 0.961 3.374 ( -1.143 0.000 0.000) 1.143 3.374 ( 1.143 0.000 0.000) 1.143 3.476 ( -5.259 0.000 0.000) 5.259 3.476 ( 5.259 0.000 0.000) 5.259 3.555 ( -15.592 0.000 0.000) 15.592 3.555 ( 15.592 0.000 0.000) 15.592 3.555 ( -11.768 0.000 0.000) 11.768 3.555 ( 11.768 0.000 0.000) 11.768 3.768 ( -0.226 0.000 0.000) 0.226 3.768 ( 0.226 0.000 0.000) 0.226 3.923 ( -6.835 0.000 0.000) 6.835 3.923 ( 6.835 0.000 0.000) 6.835 3.940 ( -2.611 0.000 0.000) 2.611 3.940 ( 2.611 0.000 0.000) 2.611 4.350 ( -2.668 0.000 0.000) 2.668 4.350 ( 2.668 0.000 0.000) 2.668 4.397 ( -7.116 0.000 0.000) 7.116 4.397 ( 7.116 0.000 0.000) 7.116 4.424 ( -1.213 0.000 0.000) 1.213 4.424 ( 1.213 0.000 0.000) 1.213 4.488 ( -2.859 0.000 0.000) 2.859 4.488 ( 2.859 0.000 0.000) 2.859 4.705 ( -0.912 0.000 0.000) 0.912 4.705 ( 0.912 0.000 0.000) 0.912 4.804 ( -2.460 0.000 0.000) 2.460 4.804 ( 2.460 0.000 0.000) 2.460 4.928 ( -2.324 0.000 0.000) 2.324 4.928 ( 2.324 0.000 0.000) 2.324 4.997 ( -8.081 0.000 0.000) 8.081 4.997 ( 8.081 0.000 0.000) 8.081 5.252 ( -0.868 0.000 0.000) 0.868 5.252 ( 0.868 0.000 0.000) 0.868 5.609 ( -9.420 0.000 0.000) 9.420 5.609 ( 9.420 0.000 0.000) 9.420 5.736 ( -3.925 0.000 0.000) 3.925 5.736 ( 3.925 0.000 0.000) 3.925 5.832 ( -3.341 0.000 0.000) 3.341 5.832 ( 3.341 0.000 0.000) 3.341 6.162 ( -5.598 0.000 0.000) 5.598 6.162 ( 5.598 0.000 0.000) 5.598 6.180 ( -2.687 0.000 0.000) 2.687 6.180 ( 2.687 0.000 0.000) 2.687 6.436 ( -1.890 0.000 0.000) 1.890 6.436 ( 1.890 0.000 0.000) 1.890 6.677 ( -0.615 0.000 0.000) 0.615 6.677 ( 0.615 0.000 0.000) 0.615 6.853 ( -1.288 0.000 0.000) 1.288 6.853 ( 1.288 0.000 0.000) 1.288 7.113 ( -3.938 0.000 0.000) 3.938 7.113 ( 3.938 0.000 0.000) 3.938 7.270 ( -10.300 0.000 0.000) 10.300 7.270 ( 10.300 0.000 0.000) 10.300 8.121 ( -0.068 0.000 0.000) 0.068 8.121 ( 0.068 0.000 0.000) 0.068 8.243 ( -1.199 0.000 0.000) 1.199 8.243 ( 1.199 0.000 0.000) 1.199 8.708 ( -1.039 0.000 0.000) 1.039 8.708 ( 1.039 0.000 0.000) 1.039 8.778 ( -0.290 0.000 0.000) 0.290 8.778 ( 0.290 0.000 0.000) 0.290 8.997 ( -3.613 0.000 0.000) 3.613 8.997 ( 3.613 0.000 0.000) 3.613 9.072 ( -1.199 0.000 0.000) 1.199 9.072 ( 1.199 0.000 0.000) 1.199 9.534 ( -2.702 0.000 0.000) 2.702 9.534 ( 2.702 0.000 0.000) 2.702 9.620 ( -1.811 0.000 0.000) 1.811 9.620 ( 1.811 0.000 0.000) 1.811 9.810 ( -0.205 0.000 0.000) 0.205 9.810 ( 0.205 0.000 0.000) 0.205 10.002 ( -1.075 0.000 0.000) 1.075 10.002 ( 1.075 0.000 0.000) 1.075 10.664 ( -0.469 0.000 0.000) 0.469 10.664 ( 0.469 0.000 0.000) 0.469 10.812 ( -1.436 0.000 0.000) 1.436 10.812 ( 1.436 0.000 0.000) 1.436 10.918 ( -1.038 0.000 0.000) 1.038 10.918 ( 1.038 0.000 0.000) 1.038 10.962 ( -0.812 0.000 0.000) 0.812 10.962 ( 0.812 0.000 0.000) 0.812 11.226 ( -3.892 0.000 0.000) 3.892 11.226 ( 3.892 0.000 0.000) 3.892 11.255 ( -0.879 0.000 0.000) 0.879 11.255 ( 0.879 0.000 0.000) 0.879 13.438 ( -0.489 0.000 0.000) 0.489 13.438 ( 0.489 0.000 0.000) 0.489 13.540 ( -0.292 0.000 0.000) 0.292 13.540 ( 0.292 0.000 0.000) 0.292 14.394 ( -0.346 0.000 0.000) 0.346 14.394 ( 0.346 0.000 0.000) 0.346 14.579 ( -1.072 0.000 0.000) 1.072 14.579 ( 1.072 0.000 0.000) 1.072 14.586 ( -0.084 0.000 0.000) 0.084 14.586 ( 0.084 0.000 0.000) 0.084 14.610 ( -0.078 0.000 0.000) 0.078 14.610 ( 0.078 0.000 0.000) 0.078 14.740 ( -0.395 0.000 0.000) 0.395 14.740 ( 0.395 0.000 0.000) 0.395 14.983 ( -0.102 0.000 0.000) 0.102 14.983 ( 0.102 0.000 0.000) 0.102 15.143 ( -3.229 0.000 0.000) 3.229 15.143 ( 3.229 0.000 0.000) 3.229 15.168 ( -0.975 0.000 0.000) 0.975 15.168 ( 0.975 0.000 0.000) 0.975 15.275 ( -1.020 0.000 0.000) 1.020 15.275 ( 1.020 0.000 0.000) 1.020 15.356 ( -0.013 0.000 0.000) 0.013 15.356 ( 0.013 0.000 0.000) 0.013 18.089 ( -0.382 0.000 0.000) 0.382 18.089 ( 0.382 0.000 0.000) 0.382 18.126 ( -0.360 0.000 0.000) 0.360 18.126 ( 0.360 0.000 0.000) 0.360 19.411 ( -0.640 0.000 0.000) 0.640 19.411 ( 0.640 0.000 0.000) 0.640 19.621 ( -2.327 0.000 0.000) 2.327 19.621 ( 2.327 0.000 0.000) 2.327 21.799 ( -2.633 0.000 0.000) 2.633 21.799 ( 2.633 0.000 0.000) 2.633 22.251 ( -3.012 0.000 0.000) 3.012 22.251 ( 3.012 0.000 0.000) 3.012 22.487 ( -0.316 0.000 0.000) 0.316 22.487 ( 0.316 0.000 0.000) 0.316 22.692 ( -2.228 0.000 0.000) 2.228 22.692 ( 2.228 0.000 0.000) 2.228 24.538 ( -0.100 0.000 0.000) 0.100 24.538 ( 0.100 0.000 0.000) 0.100 24.547 ( -0.079 0.000 0.000) 0.079 24.547 ( 0.079 0.000 0.000) 0.079 28.228 ( -4.686 0.000 0.000) 4.686 28.228 ( 4.686 0.000 0.000) 4.686 28.230 ( -0.175 0.000 0.000) 0.175 28.230 ( 0.175 0.000 0.000) 0.175 28.293 ( -9.633 0.000 0.000) 9.633 28.293 ( 9.633 0.000 0.000) 9.633 28.746 ( -8.483 0.000 0.000) 8.483 28.746 ( 8.483 0.000 0.000) 8.483 31.446 ( -1.522 0.000 0.000) 1.522 31.446 ( 1.522 0.000 0.000) 1.522 31.730 ( -1.035 0.000 0.000) 1.035 31.730 ( 1.035 0.000 0.000) 1.035 31.819 ( -2.502 0.000 0.000) 2.502 31.819 ( 2.502 0.000 0.000) 2.502 31.998 ( -10.891 0.000 0.000) 10.891 31.998 ( 10.891 0.000 0.000) 10.891 33.524 ( -3.993 0.000 0.000) 3.993 33.524 ( 3.993 0.000 0.000) 3.993 33.588 ( -3.706 0.000 0.000) 3.706 33.588 ( 3.706 0.000 0.000) 3.706 36.616 ( -2.953 0.000 0.000) 2.953 36.616 ( 2.953 0.000 0.000) 2.953 36.691 ( -4.404 0.000 0.000) 4.404 36.691 ( 4.404 0.000 0.000) 4.404 36.892 ( -1.173 0.000 0.000) 1.173 36.892 ( 1.173 0.000 0.000) 1.173 36.936 ( -5.133 0.000 0.000) 5.133 36.936 ( 5.133 0.000 0.000) 5.133 37.317 ( -0.011 0.000 0.000) 0.011 37.317 ( 0.011 0.000 0.000) 0.011 38.655 ( -2.518 0.000 0.000) 2.518 38.655 ( 2.518 0.000 0.000) 2.518 ======================= Grid point 7 (5/48) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.380 ( 0.000 20.820 0.000) 20.820 0.519 ( 0.000 24.423 0.000) 24.423 1.224 ( 0.000 48.444 0.000) 48.444 1.263 ( 0.000 -3.010 0.000) 3.010 1.736 ( 0.000 7.711 0.000) 7.711 1.884 ( 0.000 2.782 0.000) 2.782 1.960 ( 0.000 26.140 0.000) 26.140 2.042 ( 0.000 48.015 0.000) 48.015 2.070 ( 0.000 11.397 0.000) 11.397 2.315 ( 0.000 -12.325 0.000) 12.325 2.389 ( 0.000 2.060 0.000) 2.060 2.486 ( 0.000 5.032 0.000) 5.032 2.498 ( 0.000 -8.096 0.000) 8.096 2.684 ( 0.000 -7.615 0.000) 7.615 2.721 ( 0.000 1.411 0.000) 1.411 2.738 ( 0.000 -13.428 0.000) 13.428 2.776 ( 0.000 -6.688 0.000) 6.688 2.948 ( 0.000 0.151 0.000) 0.151 3.069 ( 0.000 9.682 0.000) 9.682 3.097 ( 0.000 3.599 0.000) 3.599 3.137 ( 0.000 9.647 0.000) 9.647 3.202 ( 0.000 1.418 0.000) 1.418 3.224 ( 0.000 9.232 0.000) 9.232 3.391 ( 0.000 13.049 0.000) 13.049 3.459 ( 0.000 12.379 0.000) 12.379 3.576 ( 0.000 8.644 0.000) 8.644 3.698 ( 0.000 -4.000 0.000) 4.000 3.759 ( 0.000 1.183 0.000) 1.183 3.836 ( 0.000 9.805 0.000) 9.805 3.875 ( 0.000 -5.271 0.000) 5.271 3.888 ( 0.000 1.645 0.000) 1.645 4.056 ( 0.000 -0.383 0.000) 0.383 4.095 ( 0.000 -8.919 0.000) 8.919 4.189 ( 0.000 0.482 0.000) 0.482 4.278 ( 0.000 8.378 0.000) 8.378 4.376 ( 0.000 0.437 0.000) 0.437 4.382 ( 0.000 -2.215 0.000) 2.215 4.538 ( 0.000 -1.497 0.000) 1.497 4.627 ( 0.000 -1.858 0.000) 1.858 4.634 ( 0.000 3.743 0.000) 3.743 4.699 ( 0.000 3.685 0.000) 3.685 4.709 ( 0.000 -7.632 0.000) 7.632 4.805 ( 0.000 2.401 0.000) 2.401 4.903 ( 0.000 -0.568 0.000) 0.568 4.991 ( 0.000 1.680 0.000) 1.680 5.008 ( 0.000 -5.870 0.000) 5.870 5.026 ( 0.000 3.754 0.000) 3.754 5.030 ( 0.000 -1.655 0.000) 1.655 5.057 ( 0.000 6.952 0.000) 6.952 5.155 ( 0.000 3.092 0.000) 3.092 5.208 ( 0.000 -1.825 0.000) 1.825 5.493 ( 0.000 -2.168 0.000) 2.168 5.530 ( 0.000 5.111 0.000) 5.111 5.754 ( 0.000 2.991 0.000) 2.991 5.797 ( 0.000 4.711 0.000) 4.711 5.965 ( 0.000 -0.164 0.000) 0.164 5.995 ( 0.000 4.254 0.000) 4.254 6.052 ( 0.000 4.235 0.000) 4.235 6.072 ( 0.000 -2.169 0.000) 2.169 6.169 ( 0.000 0.709 0.000) 0.709 6.314 ( 0.000 1.660 0.000) 1.660 6.328 ( 0.000 1.955 0.000) 1.955 6.344 ( 0.000 -2.249 0.000) 2.249 6.348 ( 0.000 -2.291 0.000) 2.291 6.398 ( 0.000 1.309 0.000) 1.309 6.529 ( 0.000 -3.378 0.000) 3.378 6.566 ( 0.000 1.336 0.000) 1.336 6.717 ( 0.000 -5.396 0.000) 5.396 6.798 ( 0.000 -0.802 0.000) 0.802 6.813 ( 0.000 -2.642 0.000) 2.642 6.861 ( 0.000 0.671 0.000) 0.671 7.119 ( 0.000 -4.673 0.000) 4.673 8.135 ( 0.000 -0.703 0.000) 0.703 8.150 ( 0.000 1.650 0.000) 1.650 8.210 ( 0.000 -1.839 0.000) 1.839 8.302 ( 0.000 -1.029 0.000) 1.029 8.593 ( 0.000 -5.276 0.000) 5.276 8.673 ( 0.000 -10.323 0.000) 10.323 8.715 ( 0.000 -7.868 0.000) 7.868 8.727 ( 0.000 -5.169 0.000) 5.169 8.981 ( 0.000 3.834 0.000) 3.834 9.138 ( 0.000 2.743 0.000) 2.743 9.158 ( 0.000 1.157 0.000) 1.157 9.216 ( 0.000 1.297 0.000) 1.297 9.352 ( 0.000 -4.237 0.000) 4.237 9.362 ( 0.000 -2.606 0.000) 2.606 9.535 ( 0.000 -8.835 0.000) 8.835 9.589 ( 0.000 -5.986 0.000) 5.986 9.868 ( 0.000 1.332 0.000) 1.332 9.920 ( 0.000 2.690 0.000) 2.690 10.019 ( 0.000 0.128 0.000) 0.128 10.064 ( 0.000 -1.294 0.000) 1.294 10.518 ( 0.000 -6.319 0.000) 6.319 10.543 ( 0.000 -8.297 0.000) 8.297 10.628 ( 0.000 -11.172 0.000) 11.172 10.639 ( 0.000 -10.633 0.000) 10.633 10.926 ( 0.000 2.532 0.000) 2.532 10.926 ( 0.000 -0.641 0.000) 0.641 10.940 ( 0.000 -0.853 0.000) 0.853 10.953 ( 0.000 -0.024 0.000) 0.024 11.045 ( 0.000 5.135 0.000) 5.135 11.103 ( 0.000 2.102 0.000) 2.102 11.161 ( 0.000 -0.893 0.000) 0.893 11.201 ( 0.000 -3.772 0.000) 3.772 13.480 ( 0.000 4.827 0.000) 4.827 13.523 ( 0.000 3.934 0.000) 3.934 13.565 ( 0.000 2.521 0.000) 2.521 13.590 ( 0.000 2.486 0.000) 2.486 14.398 ( 0.000 1.343 0.000) 1.343 14.438 ( 0.000 1.164 0.000) 1.164 14.504 ( 0.000 -0.222 0.000) 0.222 14.569 ( 0.000 -0.911 0.000) 0.911 14.618 ( 0.000 1.230 0.000) 1.230 14.621 ( 0.000 0.999 0.000) 0.999 14.627 ( 0.000 2.427 0.000) 2.427 14.758 ( 0.000 -0.321 0.000) 0.321 14.789 ( 0.000 0.695 0.000) 0.695 14.867 ( 0.000 0.198 0.000) 0.198 14.977 ( 0.000 -0.808 0.000) 0.808 15.053 ( 0.000 -2.747 0.000) 2.747 15.102 ( 0.000 1.712 0.000) 1.712 15.171 ( 0.000 2.810 0.000) 2.810 15.217 ( 0.000 -0.154 0.000) 0.154 15.250 ( 0.000 2.231 0.000) 2.231 15.310 ( 0.000 -1.250 0.000) 1.250 15.317 ( 0.000 1.734 0.000) 1.734 15.372 ( 0.000 -0.931 0.000) 0.931 15.464 ( 0.000 -2.512 0.000) 2.512 18.064 ( 0.000 0.150 0.000) 0.150 18.077 ( 0.000 -0.154 0.000) 0.154 18.101 ( 0.000 -0.677 0.000) 0.677 18.104 ( 0.000 -0.274 0.000) 0.274 19.425 ( 0.000 1.319 0.000) 1.319 19.466 ( 0.000 -0.635 0.000) 0.635 19.521 ( 0.000 -1.352 0.000) 1.352 19.586 ( 0.000 -1.011 0.000) 1.011 21.962 ( 0.000 5.400 0.000) 5.400 22.072 ( 0.000 0.839 0.000) 0.839 22.133 ( 0.000 -0.106 0.000) 0.106 22.185 ( 0.000 3.503 0.000) 3.503 22.334 ( 0.000 -1.932 0.000) 1.932 22.558 ( 0.000 -0.718 0.000) 0.718 22.595 ( 0.000 -2.585 0.000) 2.585 22.792 ( 0.000 -1.981 0.000) 1.981 24.538 ( 0.000 0.453 0.000) 0.453 24.544 ( 0.000 0.167 0.000) 0.167 24.546 ( 0.000 0.342 0.000) 0.342 24.551 ( 0.000 0.116 0.000) 0.116 27.962 ( 0.000 3.283 0.000) 3.283 28.011 ( 0.000 -0.696 0.000) 0.696 28.106 ( 0.000 -0.759 0.000) 0.759 28.134 ( 0.000 4.123 0.000) 4.123 28.289 ( 0.000 -8.922 0.000) 8.922 28.524 ( 0.000 -4.266 0.000) 4.266 28.987 ( 0.000 16.077 0.000) 16.077 29.699 ( 0.000 -0.084 0.000) 0.084 31.380 ( 0.000 2.383 0.000) 2.383 31.469 ( 0.000 -2.408 0.000) 2.408 31.557 ( 0.000 -1.695 0.000) 1.695 31.752 ( 0.000 7.474 0.000) 7.474 31.810 ( 0.000 4.203 0.000) 4.203 31.860 ( 0.000 -7.034 0.000) 7.034 32.339 ( 0.000 7.680 0.000) 7.680 32.900 ( 0.000 -4.630 0.000) 4.630 33.307 ( 0.000 -3.290 0.000) 3.290 33.386 ( 0.000 -3.992 0.000) 3.992 33.612 ( 0.000 0.739 0.000) 0.739 33.712 ( 0.000 -0.230 0.000) 0.230 36.568 ( 0.000 -3.102 0.000) 3.102 36.592 ( 0.000 -3.015 0.000) 3.015 36.758 ( 0.000 2.786 0.000) 2.786 36.780 ( 0.000 5.850 0.000) 5.850 36.860 ( 0.000 2.217 0.000) 2.217 36.881 ( 0.000 7.307 0.000) 7.307 37.104 ( 0.000 -2.026 0.000) 2.026 37.196 ( 0.000 -1.671 0.000) 1.671 37.311 ( 0.000 -3.055 0.000) 3.055 37.347 ( 0.000 3.261 0.000) 3.261 37.700 ( 0.000 -6.541 0.000) 6.541 38.256 ( 0.000 -9.963 0.000) 9.963 ======================= Grid point 8 (6/48) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.664 ( 20.441 10.217 0.000) 22.852 0.844 ( 18.414 15.703 0.000) 24.200 1.338 ( 5.875 -0.666 0.000) 5.912 1.403 ( 16.646 39.399 0.000) 42.771 1.716 ( 1.363 3.732 0.000) 3.973 1.912 ( -3.207 18.112 0.000) 18.394 1.953 ( 3.037 9.174 0.000) 9.663 2.059 ( -0.273 43.788 0.000) 43.789 2.145 ( 7.184 7.478 0.000) 10.369 2.225 ( -6.950 -4.631 0.000) 8.352 2.355 ( -3.159 0.749 0.000) 3.247 2.453 ( -2.072 5.265 0.000) 5.658 2.488 ( -1.043 -0.876 0.000) 1.362 2.612 ( -6.912 3.731 0.000) 7.855 2.704 ( 1.829 -5.656 0.000) 5.944 2.772 ( 0.918 -8.729 0.000) 8.778 2.788 ( -1.895 -2.477 0.000) 3.118 2.916 ( -3.009 1.261 0.000) 3.263 2.998 ( -3.266 8.168 0.000) 8.796 3.094 ( -3.094 5.248 0.000) 6.092 3.114 ( 1.891 5.108 0.000) 5.447 3.191 ( 4.449 9.685 0.000) 10.658 3.217 ( -0.536 -1.665 0.000) 1.750 3.377 ( -6.476 11.645 0.000) 13.324 3.506 ( 4.994 10.722 0.000) 11.828 3.607 ( -8.633 0.247 0.000) 8.637 3.622 ( 5.577 4.545 0.000) 7.194 3.767 ( -0.162 5.051 0.000) 5.053 3.825 ( 4.237 1.281 0.000) 4.426 3.851 ( -1.601 -3.051 0.000) 3.446 3.983 ( -1.612 -5.837 0.000) 6.055 4.035 ( 7.347 -2.148 0.000) 7.655 4.073 ( -2.550 -5.158 0.000) 5.754 4.250 ( 0.920 5.106 0.000) 5.188 4.286 ( -8.417 2.193 0.000) 8.699 4.302 ( 2.102 3.694 0.000) 4.250 4.441 ( 2.186 -2.140 0.000) 3.059 4.490 ( -7.644 3.689 0.000) 8.487 4.557 ( 1.237 -2.977 0.000) 3.224 4.606 ( -3.444 2.229 0.000) 4.102 4.685 ( -1.348 -3.304 0.000) 3.568 4.701 ( -0.319 2.110 0.000) 2.134 4.758 ( -4.906 4.219 0.000) 6.471 4.814 ( -10.611 0.351 0.000) 10.617 4.869 ( -5.022 1.542 0.000) 5.253 4.876 ( -7.852 4.483 0.000) 9.041 5.009 ( -5.131 1.094 0.000) 5.246 5.023 ( 2.730 1.069 0.000) 2.932 5.050 ( -3.250 5.007 0.000) 5.969 5.181 ( 5.648 -2.786 0.000) 6.298 5.224 ( -13.430 4.736 0.000) 14.241 5.256 ( -0.123 0.899 0.000) 0.907 5.507 ( -1.141 4.460 0.000) 4.603 5.687 ( -3.701 1.430 0.000) 3.967 5.806 ( 0.175 4.348 0.000) 4.351 5.929 ( -2.554 -0.525 0.000) 2.608 6.029 ( -3.321 -2.459 0.000) 4.133 6.056 ( -6.781 1.824 0.000) 7.022 6.093 ( 4.186 3.286 0.000) 5.322 6.137 ( -2.972 2.988 0.000) 4.215 6.290 ( -1.602 2.249 0.000) 2.761 6.313 ( 3.094 -2.923 0.000) 4.256 6.332 ( 3.423 1.007 0.000) 3.568 6.419 ( 0.528 5.675 0.000) 5.700 6.439 ( -1.643 1.007 0.000) 1.927 6.519 ( 9.826 1.078 0.000) 9.885 6.523 ( 4.496 -2.837 0.000) 5.316 6.600 ( 3.704 0.871 0.000) 3.805 6.772 ( 4.242 0.023 0.000) 4.242 6.942 ( 6.723 -0.303 0.000) 6.730 6.979 ( 7.888 -3.338 0.000) 8.566 7.531 ( 5.836 -21.617 0.000) 22.391 8.133 ( -0.128 -0.521 0.000) 0.537 8.148 ( -0.210 1.631 0.000) 1.645 8.229 ( 0.774 -0.658 0.000) 1.016 8.291 ( -0.942 -0.986 0.000) 1.364 8.597 ( 0.307 -6.045 0.000) 6.053 8.673 ( 0.018 -9.866 0.000) 9.866 8.686 ( -1.881 -7.342 0.000) 7.579 8.733 ( -0.153 -5.766 0.000) 5.768 9.010 ( 1.499 4.433 0.000) 4.679 9.115 ( -1.375 4.114 0.000) 4.338 9.148 ( -0.861 1.228 0.000) 1.500 9.195 ( -1.898 2.114 0.000) 2.842 9.368 ( 1.459 -4.375 0.000) 4.612 9.404 ( 2.600 -7.073 0.000) 7.536 9.523 ( -1.083 -8.613 0.000) 8.681 9.579 ( -1.000 -6.471 0.000) 6.548 9.887 ( 1.024 1.977 0.000) 2.226 9.905 ( -1.193 3.026 0.000) 3.252 10.002 ( -0.865 1.884 0.000) 2.073 10.053 ( -0.872 -0.865 0.000) 1.228 10.525 ( 0.360 -8.607 0.000) 8.614 10.580 ( 2.596 -9.628 0.000) 9.972 10.581 ( -2.254 -10.953 0.000) 11.183 10.676 ( 1.392 -10.735 0.000) 10.825 10.916 ( -0.651 2.583 0.000) 2.664 10.949 ( 0.440 2.383 0.000) 2.424 10.959 ( 1.631 0.186 0.000) 1.642 10.970 ( 3.239 -0.269 0.000) 3.250 11.038 ( -0.264 3.458 0.000) 3.468 11.121 ( 1.598 0.450 0.000) 1.660 11.133 ( 0.866 -3.515 0.000) 3.620 11.231 ( 0.641 -4.354 0.000) 4.401 13.484 ( 0.338 4.970 0.000) 4.982 13.519 ( -0.428 4.201 0.000) 4.223 13.562 ( 0.041 2.585 0.000) 2.585 13.588 ( -0.172 2.631 0.000) 2.637 14.398 ( 0.037 1.289 0.000) 1.290 14.433 ( -0.518 1.204 0.000) 1.311 14.516 ( 0.932 -0.595 0.000) 1.106 14.561 ( -0.636 -1.286 0.000) 1.435 14.610 ( -0.782 0.723 0.000) 1.065 14.615 ( 0.121 1.512 0.000) 1.517 14.641 ( 0.665 2.352 0.000) 2.444 14.711 ( -4.219 1.315 0.000) 4.419 14.779 ( -0.834 0.690 0.000) 1.082 14.792 ( -2.465 3.762 0.000) 4.498 14.973 ( -0.420 -1.306 0.000) 1.372 15.011 ( -1.582 0.260 0.000) 1.603 15.100 ( -0.013 1.725 0.000) 1.726 15.154 ( -0.265 1.886 0.000) 1.904 15.235 ( 0.509 0.810 0.000) 0.956 15.247 ( -0.235 2.713 0.000) 2.723 15.306 ( 0.075 -0.982 0.000) 0.985 15.317 ( -0.072 1.565 0.000) 1.567 15.363 ( -0.685 -0.932 0.000) 1.157 15.421 ( -3.823 -1.309 0.000) 4.041 18.072 ( 0.430 -0.388 0.000) 0.579 18.080 ( 0.457 -0.400 0.000) 0.608 18.097 ( -0.261 -0.589 0.000) 0.645 18.110 ( 0.379 -0.532 0.000) 0.653 19.419 ( -0.470 0.957 0.000) 1.066 19.454 ( -1.030 -0.592 0.000) 1.188 19.528 ( 0.638 -1.618 0.000) 1.740 19.622 ( 1.214 -4.117 0.000) 4.292 21.882 ( -6.113 10.641 0.000) 12.272 21.948 ( -1.197 5.360 0.000) 5.492 22.105 ( 2.723 0.479 0.000) 2.764 22.322 ( -1.070 -1.859 0.000) 2.145 22.400 ( 4.859 -5.288 0.000) 7.181 22.537 ( -1.743 -0.717 0.000) 1.885 22.606 ( 0.900 -2.462 0.000) 2.622 22.772 ( -1.749 -2.002 0.000) 2.659 24.539 ( 0.070 0.453 0.000) 0.458 24.544 ( 0.009 0.238 0.000) 0.238 24.547 ( 0.099 0.351 0.000) 0.364 24.551 ( -0.020 0.135 0.000) 0.137 27.983 ( 2.164 0.974 0.000) 2.374 28.061 ( 4.130 1.136 0.000) 4.283 28.117 ( 1.427 -1.373 0.000) 1.980 28.177 ( 3.856 4.672 0.000) 6.058 28.336 ( 1.833 -7.256 0.000) 7.484 28.530 ( 0.830 -3.780 0.000) 3.870 28.870 ( -9.701 16.345 0.000) 19.007 29.377 ( -18.121 12.825 0.000) 22.200 31.392 ( 1.134 2.201 0.000) 2.476 31.468 ( -0.019 -1.604 0.000) 1.604 31.594 ( 2.990 -2.418 0.000) 3.845 31.774 ( 2.061 7.037 0.000) 7.333 31.819 ( 0.909 4.692 0.000) 4.779 31.831 ( -2.257 -4.124 0.000) 4.701 32.099 ( -11.967 16.919 0.000) 20.723 32.568 ( -13.896 3.978 0.000) 14.454 33.334 ( 2.362 -3.321 0.000) 4.076 33.408 ( 1.998 -3.942 0.000) 4.419 33.640 ( -1.237 -2.163 0.000) 2.492 33.692 ( -1.725 -1.029 0.000) 2.008 36.516 ( -0.251 0.266 0.000) 0.366 36.602 ( 0.986 -2.902 0.000) 3.065 36.741 ( -1.544 2.518 0.000) 2.953 36.742 ( -1.509 3.244 0.000) 3.578 36.845 ( -1.366 1.096 0.000) 1.751 36.952 ( 4.774 9.608 0.000) 10.729 37.050 ( -6.434 -2.545 0.000) 6.919 37.146 ( -1.824 0.569 0.000) 1.911 37.274 ( -0.820 -5.067 0.000) 5.133 37.343 ( -0.408 3.305 0.000) 3.330 38.244 ( 20.554 -26.070 0.000) 33.198 38.332 ( 5.850 -10.133 0.000) 11.700 ======================= Grid point 9 (7/48) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( 20.443 5.364 0.000) 21.135 1.200 ( 15.111 16.013 0.000) 22.017 1.445 ( 2.747 7.060 0.000) 7.575 1.605 ( -0.788 13.357 0.000) 13.380 1.813 ( -5.055 19.657 0.000) 20.296 1.837 ( -7.377 6.296 0.000) 9.699 1.996 ( 11.262 12.303 0.000) 16.679 2.026 ( 3.325 1.234 0.000) 3.547 2.208 ( 4.257 24.987 0.000) 25.347 2.253 ( -5.175 1.038 0.000) 5.278 2.266 ( 1.626 3.968 0.000) 4.288 2.399 ( -2.550 7.390 0.000) 7.817 2.489 ( -4.549 6.529 0.000) 7.958 2.505 ( 2.616 1.941 0.000) 3.258 2.610 ( -11.187 10.497 0.000) 15.341 2.721 ( -5.607 -0.345 0.000) 5.618 2.742 ( 0.882 3.483 0.000) 3.593 2.840 ( -3.490 5.067 0.000) 6.153 3.007 ( 3.014 0.690 0.000) 3.092 3.072 ( -0.576 2.320 0.000) 2.391 3.179 ( 4.323 -0.040 0.000) 4.323 3.273 ( 1.071 4.713 0.000) 4.833 3.282 ( 8.342 -4.365 0.000) 9.415 3.369 ( 8.598 6.830 0.000) 10.981 3.448 ( -3.969 1.394 0.000) 4.206 3.549 ( -1.217 1.700 0.000) 2.091 3.733 ( -1.802 4.124 0.000) 4.500 3.778 ( 3.790 -0.886 0.000) 3.893 3.841 ( 1.312 -1.893 0.000) 2.303 3.850 ( -3.706 -0.453 0.000) 3.734 3.968 ( -4.806 7.088 0.000) 8.564 4.009 ( -0.468 -3.062 0.000) 3.098 4.087 ( -9.449 5.619 0.000) 10.993 4.116 ( -1.261 -1.248 0.000) 1.774 4.280 ( 5.274 0.119 0.000) 5.275 4.308 ( -1.072 1.721 0.000) 2.027 4.334 ( -2.101 7.985 0.000) 8.256 4.449 ( -6.171 2.842 0.000) 6.794 4.476 ( -2.617 0.926 0.000) 2.776 4.559 ( -2.348 -1.622 0.000) 2.854 4.633 ( -4.089 5.384 0.000) 6.761 4.664 ( -2.529 1.275 0.000) 2.833 4.678 ( -0.247 1.060 0.000) 1.088 4.705 ( -1.559 1.085 0.000) 1.900 4.776 ( -1.120 3.232 0.000) 3.421 4.810 ( -0.362 -0.406 0.000) 0.544 4.890 ( -3.044 2.710 0.000) 4.076 4.987 ( -4.888 0.127 0.000) 4.889 5.004 ( -1.276 5.157 0.000) 5.312 5.100 ( 0.736 1.239 0.000) 1.441 5.252 ( 0.738 -1.332 0.000) 1.523 5.263 ( -0.540 -2.448 0.000) 2.507 5.502 ( 1.049 3.554 0.000) 3.706 5.640 ( -0.041 -1.294 0.000) 1.294 5.783 ( -2.602 0.138 0.000) 2.605 5.854 ( -10.671 -0.565 0.000) 10.686 5.874 ( -1.465 2.803 0.000) 3.163 5.954 ( -4.112 2.374 0.000) 4.748 6.060 ( 0.485 -0.508 0.000) 0.703 6.150 ( 2.142 2.330 0.000) 3.165 6.257 ( -5.413 -3.155 0.000) 6.266 6.258 ( -2.079 2.118 0.000) 2.968 6.388 ( 0.861 -1.348 0.000) 1.599 6.454 ( -2.702 -3.695 0.000) 4.577 6.594 ( 9.847 4.245 0.000) 10.723 6.607 ( 8.643 2.965 0.000) 9.137 6.742 ( 9.220 0.962 0.000) 9.270 6.794 ( 7.670 1.372 0.000) 7.791 6.909 ( 8.195 -1.377 0.000) 8.310 7.066 ( 3.907 -1.505 0.000) 4.187 7.115 ( 4.567 -3.794 0.000) 5.937 7.444 ( -10.013 -11.300 0.000) 15.098 8.131 ( 0.041 0.294 0.000) 0.296 8.142 ( -0.330 1.479 0.000) 1.515 8.236 ( 0.153 0.427 0.000) 0.454 8.266 ( -1.237 -0.725 0.000) 1.434 8.604 ( 0.386 -7.418 0.000) 7.428 8.646 ( -1.644 -7.640 0.000) 7.815 8.679 ( 0.607 -8.288 0.000) 8.310 8.720 ( -0.919 -5.958 0.000) 6.029 9.033 ( 1.053 5.578 0.000) 5.677 9.097 ( -0.236 3.512 0.000) 3.520 9.121 ( -1.775 1.488 0.000) 2.316 9.142 ( -2.628 3.995 0.000) 4.782 9.409 ( 2.133 -5.556 0.000) 5.951 9.453 ( 2.021 -8.352 0.000) 8.593 9.493 ( -1.625 -8.288 0.000) 8.446 9.545 ( -2.060 -7.189 0.000) 7.478 9.880 ( -0.832 3.683 0.000) 3.776 9.891 ( -0.608 3.962 0.000) 4.008 9.999 ( 0.472 1.340 0.000) 1.421 10.032 ( -0.976 0.012 0.000) 0.976 10.528 ( 0.021 -10.041 0.000) 10.041 10.544 ( -1.108 -10.935 0.000) 10.991 10.635 ( 2.332 -10.785 0.000) 11.034 10.692 ( 0.047 -10.998 0.000) 10.998 10.925 ( 1.300 1.967 0.000) 2.358 10.969 ( 1.153 1.835 0.000) 2.168 10.975 ( -0.148 1.909 0.000) 1.915 11.011 ( -0.388 3.161 0.000) 3.185 11.086 ( 4.867 -2.415 0.000) 5.433 11.166 ( 2.230 -2.644 0.000) 3.459 11.174 ( 1.948 -4.806 0.000) 5.186 11.229 ( -0.830 -3.955 0.000) 4.041 13.493 ( 0.434 5.208 0.000) 5.226 13.509 ( -0.395 4.723 0.000) 4.739 13.567 ( 0.346 2.680 0.000) 2.702 13.583 ( -0.317 2.871 0.000) 2.889 14.400 ( 0.149 1.117 0.000) 1.126 14.418 ( -0.696 1.195 0.000) 1.383 14.535 ( 0.609 -1.195 0.000) 1.341 14.548 ( -0.464 -1.805 0.000) 1.864 14.602 ( 0.306 0.717 0.000) 0.779 14.622 ( 0.437 1.685 0.000) 1.741 14.645 ( -0.451 2.261 0.000) 2.306 14.647 ( -1.510 1.718 0.000) 2.288 14.760 ( -0.715 0.720 0.000) 1.014 14.763 ( -0.857 2.332 0.000) 2.485 14.963 ( -0.343 -2.122 0.000) 2.150 14.984 ( -1.100 -0.766 0.000) 1.340 15.106 ( 0.579 1.643 0.000) 1.743 15.148 ( -0.545 0.721 0.000) 0.903 15.239 ( -0.232 1.288 0.000) 1.309 15.240 ( -0.432 3.578 0.000) 3.604 15.298 ( -0.967 1.754 0.000) 2.003 15.309 ( -0.696 1.154 0.000) 1.348 15.351 ( -0.346 -0.752 0.000) 0.828 15.354 ( -1.249 -0.470 0.000) 1.334 18.075 ( 0.137 -0.651 0.000) 0.665 18.090 ( -0.402 -0.656 0.000) 0.769 18.099 ( 0.922 -0.956 0.000) 1.329 18.117 ( 0.140 -0.844 0.000) 0.856 19.409 ( -0.387 0.322 0.000) 0.503 19.427 ( -1.209 -0.448 0.000) 1.289 19.549 ( 1.353 -2.297 0.000) 2.666 19.619 ( -1.161 -3.929 0.000) 4.097 21.836 ( 0.431 7.554 0.000) 7.567 21.913 ( -2.015 5.398 0.000) 5.762 22.174 ( 3.323 -0.317 0.000) 3.338 22.290 ( -1.925 -1.592 0.000) 2.498 22.450 ( 0.921 -2.930 0.000) 3.072 22.495 ( -1.801 -0.888 0.000) 2.008 22.631 ( 1.460 -2.152 0.000) 2.601 22.724 ( -2.517 -2.030 0.000) 3.233 24.541 ( 0.104 0.445 0.000) 0.457 24.544 ( -0.016 0.333 0.000) 0.333 24.549 ( 0.094 0.345 0.000) 0.358 24.551 ( -0.017 0.201 0.000) 0.202 28.053 ( 3.991 -1.792 0.000) 4.375 28.152 ( 1.037 -2.577 0.000) 2.778 28.177 ( 6.378 2.928 0.000) 7.018 28.279 ( 4.811 5.611 0.000) 7.391 28.334 ( -1.559 -2.046 0.000) 2.573 28.586 ( 5.265 -1.802 0.000) 5.565 28.633 ( -11.303 12.307 0.000) 16.710 29.046 ( -13.646 7.596 0.000) 15.617 31.424 ( 1.623 1.672 0.000) 2.330 31.467 ( -0.201 -0.282 0.000) 0.347 31.666 ( 3.328 -2.665 0.000) 4.263 31.781 ( -2.235 -1.419 0.000) 2.647 31.823 ( 1.768 5.012 0.000) 5.314 31.878 ( 5.567 6.094 0.000) 8.254 31.938 ( -4.567 8.808 0.000) 9.922 32.291 ( -12.262 2.966 0.000) 12.616 33.402 ( 3.786 -3.268 0.000) 5.001 33.468 ( 3.471 -3.739 0.000) 5.102 33.579 ( -3.785 -2.350 0.000) 4.455 33.636 ( -3.453 -2.294 0.000) 4.146 36.546 ( 2.392 -0.490 0.000) 2.442 36.639 ( 2.632 -1.193 0.000) 2.890 36.690 ( -3.202 1.251 0.000) 3.438 36.737 ( 1.031 -0.216 0.000) 1.054 36.804 ( -2.465 0.734 0.000) 2.572 36.879 ( -7.523 -3.047 0.000) 8.116 37.050 ( 3.791 10.866 0.000) 11.508 37.127 ( -0.625 3.856 0.000) 3.906 37.269 ( 0.429 -4.220 0.000) 4.242 37.326 ( -1.197 2.661 0.000) 2.918 38.455 ( 4.695 -10.680 0.000) 11.667 38.483 ( 4.748 -16.974 0.000) 17.626 ======================= Grid point 10 (8/48) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( -3.734 18.884 0.000) 19.250 1.439 ( 3.734 18.884 0.000) 19.250 1.482 ( -10.253 2.177 0.000) 10.482 1.482 ( 10.253 2.177 0.000) 10.482 1.714 ( -1.613 14.680 0.000) 14.768 1.714 ( 1.613 14.680 0.000) 14.768 2.063 ( -2.230 -0.024 0.000) 2.230 2.063 ( 2.230 -0.024 0.000) 2.230 2.293 ( -3.561 3.394 0.000) 4.919 2.293 ( 3.561 3.394 0.000) 4.919 2.328 ( -3.641 4.422 0.000) 5.728 2.328 ( 3.641 4.422 0.000) 5.728 2.412 ( -1.571 19.013 0.000) 19.077 2.412 ( 1.571 19.013 0.000) 19.077 2.593 ( -4.805 5.434 0.000) 7.253 2.593 ( 4.805 5.434 0.000) 7.253 2.776 ( -2.320 8.258 0.000) 8.577 2.776 ( 2.320 8.258 0.000) 8.577 3.052 ( -0.996 -3.445 0.000) 3.586 3.052 ( 0.996 -3.445 0.000) 3.586 3.305 ( -5.558 0.469 0.000) 5.578 3.305 ( 5.558 0.469 0.000) 5.578 3.387 ( -5.671 -4.862 0.000) 7.470 3.387 ( 5.671 -4.862 0.000) 7.470 3.585 ( -6.841 2.117 0.000) 7.162 3.585 ( 6.841 2.117 0.000) 7.162 3.683 ( -5.768 5.194 0.000) 7.762 3.683 ( 5.768 5.194 0.000) 7.762 3.813 ( -6.851 3.859 0.000) 7.863 3.813 ( 6.851 3.859 0.000) 7.863 3.912 ( -3.041 1.754 0.000) 3.511 3.912 ( 3.041 1.754 0.000) 3.511 4.048 ( -6.411 6.905 0.000) 9.423 4.048 ( 6.411 6.905 0.000) 9.423 4.322 ( -4.052 -1.057 0.000) 4.188 4.322 ( 4.052 -1.057 0.000) 4.188 4.409 ( -4.663 1.232 0.000) 4.823 4.409 ( 4.663 1.232 0.000) 4.823 4.468 ( -9.154 4.941 0.000) 10.402 4.468 ( 9.154 4.941 0.000) 10.402 4.579 ( -2.359 4.658 0.000) 5.222 4.579 ( 2.359 4.658 0.000) 5.222 4.690 ( -1.102 -1.507 0.000) 1.867 4.690 ( 1.102 -1.507 0.000) 1.867 4.789 ( -1.060 -0.797 0.000) 1.326 4.789 ( 1.060 -0.797 0.000) 1.326 4.916 ( -2.290 -0.465 0.000) 2.337 4.916 ( 2.290 -0.465 0.000) 2.337 5.037 ( -4.739 3.214 0.000) 5.726 5.037 ( 4.739 3.214 0.000) 5.726 5.262 ( -0.588 0.170 0.000) 0.612 5.262 ( 0.588 0.170 0.000) 0.612 5.588 ( -6.639 -1.539 0.000) 6.815 5.588 ( 6.639 -1.539 0.000) 6.815 5.724 ( -1.216 -0.144 0.000) 1.225 5.724 ( 1.216 -0.144 0.000) 1.225 5.884 ( -2.089 3.881 0.000) 4.407 5.884 ( 2.089 3.881 0.000) 4.407 6.129 ( -4.885 -2.838 0.000) 5.650 6.129 ( 4.885 -2.838 0.000) 5.650 6.208 ( -2.228 2.402 0.000) 3.276 6.208 ( 2.228 2.402 0.000) 3.276 6.409 ( -1.353 -2.392 0.000) 2.749 6.409 ( 1.353 -2.392 0.000) 2.749 6.711 ( -0.167 3.062 0.000) 3.067 6.711 ( 0.167 3.062 0.000) 3.067 6.865 ( -1.402 1.025 0.000) 1.737 6.865 ( 1.402 1.025 0.000) 1.737 7.079 ( -4.215 -2.787 0.000) 5.053 7.079 ( 4.215 -2.787 0.000) 5.053 7.218 ( -7.884 -4.454 0.000) 9.055 7.218 ( 7.884 -4.454 0.000) 9.055 8.135 ( -0.276 1.043 0.000) 1.079 8.135 ( 0.276 1.043 0.000) 1.079 8.244 ( -0.711 -0.136 0.000) 0.724 8.244 ( 0.711 -0.136 0.000) 0.724 8.618 ( -0.928 -7.931 0.000) 7.985 8.618 ( 0.928 -7.931 0.000) 7.985 8.698 ( -1.037 -6.749 0.000) 6.828 8.698 ( 1.037 -6.749 0.000) 6.828 9.069 ( -2.355 4.395 0.000) 4.986 9.069 ( 2.355 4.395 0.000) 4.986 9.104 ( -0.945 3.315 0.000) 3.447 9.104 ( 0.945 3.315 0.000) 3.447 9.454 ( -1.950 -7.243 0.000) 7.501 9.454 ( 1.950 -7.243 0.000) 7.501 9.498 ( -2.164 -7.952 0.000) 8.241 9.498 ( 2.164 -7.952 0.000) 8.241 9.876 ( -0.428 4.183 0.000) 4.205 9.876 ( 0.428 4.183 0.000) 4.205 10.013 ( -0.775 0.776 0.000) 1.097 10.013 ( 0.775 0.776 0.000) 1.097 10.530 ( -0.244 -10.770 0.000) 10.773 10.530 ( 0.244 -10.770 0.000) 10.773 10.677 ( -1.422 -11.178 0.000) 11.268 10.677 ( 1.422 -11.178 0.000) 11.268 10.957 ( -1.358 2.074 0.000) 2.479 10.957 ( 1.358 2.074 0.000) 2.479 10.993 ( -1.064 1.931 0.000) 2.205 10.993 ( 1.064 1.931 0.000) 2.205 11.179 ( -2.832 -3.798 0.000) 4.738 11.179 ( 2.832 -3.798 0.000) 4.738 11.200 ( -0.871 -3.647 0.000) 3.750 11.200 ( 0.871 -3.647 0.000) 3.750 13.501 ( -0.344 5.161 0.000) 5.173 13.501 ( 0.344 5.161 0.000) 5.173 13.575 ( -0.383 2.891 0.000) 2.917 13.575 ( 0.383 2.891 0.000) 2.917 14.406 ( -0.423 1.100 0.000) 1.178 14.406 ( 0.423 1.100 0.000) 1.178 14.542 ( -0.179 -1.800 0.000) 1.809 14.542 ( 0.179 -1.800 0.000) 1.809 14.623 ( -1.268 1.330 0.000) 1.838 14.623 ( 1.268 1.330 0.000) 1.838 14.631 ( -0.318 1.819 0.000) 1.847 14.631 ( 0.318 1.819 0.000) 1.847 14.753 ( -0.045 1.293 0.000) 1.294 14.753 ( 0.045 1.293 0.000) 1.294 14.965 ( -0.586 -1.970 0.000) 2.055 14.965 ( 0.586 -1.970 0.000) 2.055 15.126 ( -1.241 0.891 0.000) 1.528 15.126 ( 1.241 0.891 0.000) 1.528 15.233 ( -0.024 3.554 0.000) 3.554 15.233 ( 0.024 3.554 0.000) 3.554 15.293 ( -0.520 1.642 0.000) 1.723 15.293 ( 0.520 1.642 0.000) 1.723 15.347 ( -0.037 -0.803 0.000) 0.804 15.347 ( 0.037 -0.803 0.000) 0.804 18.081 ( -0.386 -0.702 0.000) 0.801 18.081 ( 0.386 -0.702 0.000) 0.801 18.114 ( -0.429 -1.081 0.000) 1.163 18.114 ( 0.429 -1.081 0.000) 1.163 19.408 ( -0.450 -0.157 0.000) 0.476 19.408 ( 0.450 -0.157 0.000) 0.476 19.585 ( -1.800 -3.142 0.000) 3.621 19.585 ( 1.800 -3.142 0.000) 3.621 21.867 ( -2.043 5.912 0.000) 6.255 21.867 ( 2.043 5.912 0.000) 6.255 22.240 ( -2.694 -1.066 0.000) 2.897 22.240 ( 2.694 -1.066 0.000) 2.897 22.466 ( -0.885 -1.531 0.000) 1.769 22.466 ( 0.885 -1.531 0.000) 1.769 22.671 ( -2.217 -2.051 0.000) 3.020 22.671 ( 2.217 -2.051 0.000) 3.020 24.543 ( -0.077 0.407 0.000) 0.415 24.543 ( 0.077 0.407 0.000) 0.415 24.550 ( -0.035 0.290 0.000) 0.292 24.550 ( 0.035 0.290 0.000) 0.292 28.134 ( -2.804 -3.314 0.000) 4.341 28.134 ( 2.804 -3.314 0.000) 4.341 28.290 ( -2.826 1.223 0.000) 3.079 28.290 ( 2.826 1.223 0.000) 3.079 28.408 ( -8.705 8.687 0.000) 12.298 28.408 ( 8.705 8.687 0.000) 12.298 28.772 ( -11.338 2.310 0.000) 11.571 28.772 ( 11.338 2.310 0.000) 11.571 31.454 ( -1.013 0.896 0.000) 1.352 31.454 ( 1.013 0.896 0.000) 1.352 31.731 ( -2.604 -1.840 0.000) 3.189 31.731 ( 2.604 -1.840 0.000) 3.189 31.865 ( -2.468 5.856 0.000) 6.354 31.865 ( 2.468 5.856 0.000) 6.354 32.048 ( -9.818 4.255 0.000) 10.700 32.048 ( 9.818 4.255 0.000) 10.700 33.490 ( -4.234 -2.923 0.000) 5.145 33.490 ( 4.234 -2.923 0.000) 5.145 33.552 ( -4.080 -3.231 0.000) 5.205 33.552 ( 4.080 -3.231 0.000) 5.205 36.612 ( -3.631 -0.272 0.000) 3.641 36.612 ( 3.631 -0.272 0.000) 3.641 36.720 ( -4.668 1.644 0.000) 4.949 36.720 ( 4.668 1.644 0.000) 4.949 36.776 ( -2.496 -3.711 0.000) 4.472 36.776 ( 2.496 -3.711 0.000) 4.472 37.106 ( -1.528 8.028 0.000) 8.173 37.106 ( 1.528 8.028 0.000) 8.173 37.294 ( -1.611 -0.335 0.000) 1.645 37.294 ( 1.611 -0.335 0.000) 1.645 38.518 ( -0.924 -12.319 0.000) 12.354 38.518 ( 0.924 -12.319 0.000) 12.354 ======================= Grid point 14 (9/48) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( 0.000 18.416 0.000) 18.416 1.015 ( 0.000 22.601 0.000) 22.601 1.188 ( 0.000 -3.464 0.000) 3.464 1.715 ( 0.000 -0.557 0.000) 0.557 1.908 ( 0.000 3.070 0.000) 3.070 1.964 ( 0.000 5.519 0.000) 5.519 2.060 ( 0.000 -4.679 0.000) 4.679 2.198 ( 0.000 -5.653 0.000) 5.653 2.337 ( 0.000 -8.604 0.000) 8.604 2.344 ( 0.000 17.860 0.000) 17.860 2.359 ( 0.000 -8.932 0.000) 8.932 2.536 ( 0.000 -2.663 0.000) 2.663 2.584 ( 0.000 2.119 0.000) 2.119 2.645 ( 0.000 -2.665 0.000) 2.665 2.726 ( 0.000 0.731 0.000) 0.731 2.856 ( 0.000 18.852 0.000) 18.852 2.877 ( 0.000 17.266 0.000) 17.266 2.950 ( 0.000 -0.439 0.000) 0.439 3.088 ( 0.000 -2.430 0.000) 2.430 3.287 ( 0.000 5.646 0.000) 5.646 3.379 ( 0.000 12.195 0.000) 12.195 3.412 ( 0.000 24.761 0.000) 24.761 3.527 ( 0.000 11.736 0.000) 11.736 3.621 ( 0.000 7.004 0.000) 7.004 3.635 ( 0.000 2.193 0.000) 2.193 3.709 ( 0.000 -0.350 0.000) 0.350 3.739 ( 0.000 11.264 0.000) 11.264 3.783 ( 0.000 -1.098 0.000) 1.098 3.894 ( 0.000 13.614 0.000) 13.614 3.902 ( 0.000 -6.139 0.000) 6.139 3.914 ( 0.000 0.180 0.000) 0.180 3.946 ( 0.000 -0.582 0.000) 0.582 4.134 ( 0.000 8.215 0.000) 8.215 4.209 ( 0.000 2.715 0.000) 2.715 4.338 ( 0.000 -0.088 0.000) 0.088 4.397 ( 0.000 2.132 0.000) 2.132 4.430 ( 0.000 2.355 0.000) 2.355 4.481 ( 0.000 -3.823 0.000) 3.823 4.624 ( 0.000 0.429 0.000) 0.429 4.660 ( 0.000 5.894 0.000) 5.894 4.701 ( 0.000 -2.518 0.000) 2.518 4.759 ( 0.000 3.857 0.000) 3.857 4.824 ( 0.000 -1.496 0.000) 1.496 4.877 ( 0.000 -4.624 0.000) 4.624 4.913 ( 0.000 0.200 0.000) 0.200 5.004 ( 0.000 -1.174 0.000) 1.174 5.008 ( 0.000 0.136 0.000) 0.136 5.050 ( 0.000 -0.798 0.000) 0.798 5.192 ( 0.000 0.268 0.000) 0.268 5.202 ( 0.000 6.438 0.000) 6.438 5.204 ( 0.000 1.356 0.000) 1.356 5.424 ( 0.000 -4.253 0.000) 4.253 5.699 ( 0.000 10.379 0.000) 10.379 5.827 ( 0.000 3.793 0.000) 3.793 5.938 ( 0.000 7.249 0.000) 7.249 5.961 ( 0.000 0.800 0.000) 0.800 6.004 ( 0.000 -4.003 0.000) 4.003 6.093 ( 0.000 4.610 0.000) 4.610 6.163 ( 0.000 5.519 0.000) 5.519 6.196 ( 0.000 1.570 0.000) 1.570 6.286 ( 0.000 -3.406 0.000) 3.406 6.292 ( 0.000 -1.900 0.000) 1.900 6.316 ( 0.000 -4.519 0.000) 4.519 6.346 ( 0.000 0.571 0.000) 0.571 6.428 ( 0.000 1.586 0.000) 1.586 6.486 ( 0.000 0.512 0.000) 0.512 6.573 ( 0.000 -1.568 0.000) 1.568 6.588 ( 0.000 -6.335 0.000) 6.335 6.759 ( 0.000 -1.477 0.000) 1.477 6.780 ( 0.000 -0.893 0.000) 0.893 6.868 ( 0.000 0.314 0.000) 0.314 6.997 ( 0.000 -6.197 0.000) 6.197 8.121 ( 0.000 -0.464 0.000) 0.464 8.163 ( 0.000 -2.319 0.000) 2.319 8.193 ( 0.000 2.211 0.000) 2.211 8.273 ( 0.000 -1.637 0.000) 1.637 8.441 ( 0.000 -10.025 0.000) 10.025 8.447 ( 0.000 -7.737 0.000) 7.737 8.506 ( 0.000 -10.284 0.000) 10.284 8.554 ( 0.000 -10.510 0.000) 10.510 9.051 ( 0.000 2.831 0.000) 2.831 9.168 ( 0.000 -1.528 0.000) 1.528 9.172 ( 0.000 -0.300 0.000) 0.300 9.210 ( 0.000 -2.018 0.000) 2.018 9.283 ( 0.000 -0.477 0.000) 0.477 9.316 ( 0.000 -1.296 0.000) 1.296 9.391 ( 0.000 -2.688 0.000) 2.688 9.487 ( 0.000 -3.424 0.000) 3.424 9.909 ( 0.000 2.662 0.000) 2.662 9.972 ( 0.000 2.252 0.000) 2.252 10.018 ( 0.000 -0.451 0.000) 0.451 10.027 ( 0.000 -1.644 0.000) 1.644 10.343 ( 0.000 -8.725 0.000) 8.725 10.365 ( 0.000 -7.260 0.000) 7.260 10.373 ( 0.000 -10.564 0.000) 10.564 10.398 ( 0.000 -10.641 0.000) 10.641 10.925 ( 0.000 0.144 0.000) 0.144 10.927 ( 0.000 -0.260 0.000) 0.260 10.959 ( 0.000 0.549 0.000) 0.549 10.967 ( 0.000 1.039 0.000) 1.039 11.135 ( 0.000 -1.824 0.000) 1.824 11.139 ( 0.000 3.077 0.000) 3.077 11.141 ( 0.000 -0.957 0.000) 0.957 11.145 ( 0.000 1.691 0.000) 1.691 13.585 ( 0.000 4.378 0.000) 4.378 13.605 ( 0.000 3.215 0.000) 3.215 13.620 ( 0.000 2.238 0.000) 2.238 13.638 ( 0.000 1.617 0.000) 1.617 14.434 ( 0.000 1.878 0.000) 1.878 14.477 ( 0.000 2.264 0.000) 2.264 14.494 ( 0.000 -0.775 0.000) 0.775 14.551 ( 0.000 -0.954 0.000) 0.954 14.644 ( 0.000 1.194 0.000) 1.194 14.654 ( 0.000 2.096 0.000) 2.096 14.666 ( 0.000 0.954 0.000) 0.954 14.743 ( 0.000 -1.265 0.000) 1.265 14.813 ( 0.000 1.701 0.000) 1.701 14.876 ( 0.000 0.924 0.000) 0.924 14.930 ( 0.000 -3.211 0.000) 3.211 14.984 ( 0.000 -3.605 0.000) 3.605 15.168 ( 0.000 4.025 0.000) 4.025 15.219 ( 0.000 0.473 0.000) 0.473 15.237 ( 0.000 2.955 0.000) 2.955 15.281 ( 0.000 -1.031 0.000) 1.031 15.290 ( 0.000 0.363 0.000) 0.363 15.354 ( 0.000 -0.003 0.000) 0.003 15.357 ( 0.000 1.666 0.000) 1.666 15.399 ( 0.000 -3.486 0.000) 3.486 18.068 ( 0.000 0.170 0.000) 0.170 18.074 ( 0.000 -0.141 0.000) 0.141 18.088 ( 0.000 -0.391 0.000) 0.391 18.096 ( 0.000 -0.471 0.000) 0.471 19.454 ( 0.000 -0.266 0.000) 0.266 19.463 ( 0.000 2.170 0.000) 2.170 19.487 ( 0.000 -1.651 0.000) 1.651 19.556 ( 0.000 -1.860 0.000) 1.860 22.094 ( 0.000 6.326 0.000) 6.326 22.096 ( 0.000 1.230 0.000) 1.230 22.129 ( 0.000 -0.307 0.000) 0.307 22.280 ( 0.000 -3.087 0.000) 3.087 22.282 ( 0.000 5.468 0.000) 5.468 22.517 ( 0.000 -4.726 0.000) 4.726 22.563 ( 0.000 1.693 0.000) 1.693 22.728 ( 0.000 -4.045 0.000) 4.045 24.548 ( 0.000 0.228 0.000) 0.228 24.549 ( 0.000 0.478 0.000) 0.478 24.553 ( 0.000 0.297 0.000) 0.297 24.553 ( 0.000 0.038 0.000) 0.038 28.023 ( 0.000 1.618 0.000) 1.618 28.033 ( 0.000 2.746 0.000) 2.746 28.090 ( 0.000 -0.632 0.000) 0.632 28.147 ( 0.000 -4.552 0.000) 4.552 28.218 ( 0.000 3.780 0.000) 3.780 28.411 ( 0.000 -5.891 0.000) 5.891 29.315 ( 0.000 14.163 0.000) 14.163 29.674 ( 0.000 -2.917 0.000) 2.917 31.443 ( 0.000 -0.005 0.000) 0.005 31.454 ( 0.000 4.551 0.000) 4.551 31.512 ( 0.000 -2.441 0.000) 2.441 31.708 ( 0.000 -7.118 0.000) 7.118 31.905 ( 0.000 6.185 0.000) 6.185 31.914 ( 0.000 4.904 0.000) 4.904 32.500 ( 0.000 7.248 0.000) 7.248 32.779 ( 0.000 -6.408 0.000) 6.408 33.230 ( 0.000 -3.226 0.000) 3.226 33.282 ( 0.000 -5.122 0.000) 5.122 33.635 ( 0.000 1.410 0.000) 1.410 33.698 ( 0.000 -1.117 0.000) 1.117 36.519 ( 0.000 -1.404 0.000) 1.404 36.539 ( 0.000 -2.010 0.000) 2.010 36.838 ( 0.000 4.623 0.000) 4.623 36.917 ( 0.000 7.030 0.000) 7.030 36.927 ( 0.000 4.051 0.000) 4.051 37.039 ( 0.000 -4.037 0.000) 4.037 37.055 ( 0.000 8.393 0.000) 8.393 37.128 ( 0.000 -4.459 0.000) 4.459 37.226 ( 0.000 -4.324 0.000) 4.324 37.476 ( 0.000 8.821 0.000) 8.821 37.519 ( 0.000 -10.104 0.000) 10.104 37.993 ( 0.000 -13.999 0.000) 13.999 ======================= Grid point 15 (10/48) ======================= q-point: ( 0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( 13.091 15.092 0.000) 19.979 1.187 ( 10.604 17.130 0.000) 20.147 1.286 ( 8.584 -2.849 0.000) 9.044 1.750 ( 4.227 -0.153 0.000) 4.230 1.892 ( -1.400 2.561 0.000) 2.918 1.942 ( -3.836 -2.224 0.000) 4.434 2.099 ( 5.021 -0.380 0.000) 5.036 2.223 ( -5.893 1.021 0.000) 5.981 2.282 ( 6.877 -3.836 0.000) 7.875 2.314 ( -4.131 -1.998 0.000) 4.589 2.379 ( -1.443 8.808 0.000) 8.925 2.535 ( 0.407 -6.778 0.000) 6.790 2.634 ( 0.667 -0.094 0.000) 0.674 2.686 ( 5.460 -1.414 0.000) 5.640 2.691 ( -2.116 4.281 0.000) 4.776 2.883 ( 0.152 12.170 0.000) 12.171 2.918 ( 4.524 16.577 0.000) 17.183 2.955 ( 0.429 2.096 0.000) 2.139 3.076 ( -1.173 -3.254 0.000) 3.459 3.225 ( -4.676 8.962 0.000) 10.109 3.337 ( -4.075 23.487 0.000) 23.838 3.428 ( 3.943 11.801 0.000) 12.442 3.475 ( -1.084 14.666 0.000) 14.706 3.628 ( -0.433 5.134 0.000) 5.153 3.628 ( -3.783 5.447 0.000) 6.632 3.656 ( -6.729 8.915 0.000) 11.169 3.776 ( -0.967 -1.371 0.000) 1.678 3.825 ( -0.404 7.603 0.000) 7.614 3.851 ( 5.468 3.696 0.000) 6.600 3.886 ( -3.628 -1.582 0.000) 3.958 3.913 ( -1.062 4.243 0.000) 4.374 3.963 ( 3.725 0.453 0.000) 3.752 4.012 ( -2.838 0.050 0.000) 2.838 4.162 ( -3.840 -7.467 0.000) 8.397 4.315 ( -2.763 3.256 0.000) 4.270 4.412 ( -0.635 1.310 0.000) 1.456 4.433 ( 4.877 -0.020 0.000) 4.877 4.528 ( 2.443 -1.237 0.000) 2.739 4.607 ( -4.221 6.978 0.000) 8.156 4.673 ( -1.554 -1.048 0.000) 1.875 4.675 ( -0.269 5.028 0.000) 5.035 4.729 ( -3.051 4.142 0.000) 5.144 4.801 ( 0.118 -2.703 0.000) 2.705 4.848 ( -4.297 2.063 0.000) 4.766 4.944 ( -3.090 4.414 0.000) 5.388 4.946 ( -4.263 0.340 0.000) 4.277 5.013 ( 1.325 -2.271 0.000) 2.629 5.023 ( -3.817 0.273 0.000) 3.827 5.090 ( -0.786 -0.759 0.000) 1.093 5.141 ( -1.255 4.098 0.000) 4.286 5.246 ( -13.209 -2.817 0.000) 13.506 5.273 ( 0.775 -0.007 0.000) 0.775 5.654 ( -3.018 9.249 0.000) 9.729 5.754 ( -5.335 4.300 0.000) 6.852 5.902 ( -4.764 0.644 0.000) 4.807 5.949 ( 0.656 6.075 0.000) 6.111 5.955 ( -4.358 -4.353 0.000) 6.160 6.093 ( -6.339 2.043 0.000) 6.660 6.173 ( 3.551 3.870 0.000) 5.252 6.180 ( -5.288 -0.302 0.000) 5.296 6.225 ( -1.675 -5.005 0.000) 5.278 6.326 ( 3.260 1.915 0.000) 3.781 6.350 ( 0.947 1.342 0.000) 1.642 6.379 ( -0.026 -6.087 0.000) 6.087 6.521 ( 2.224 2.670 0.000) 3.475 6.524 ( 4.605 2.308 0.000) 5.151 6.543 ( 9.517 1.042 0.000) 9.573 6.602 ( 6.454 -1.110 0.000) 6.548 6.787 ( 4.281 1.558 0.000) 4.556 6.899 ( 6.547 -3.790 0.000) 7.565 6.942 ( 5.737 0.617 0.000) 5.770 7.170 ( 7.279 -12.837 0.000) 14.757 8.124 ( 0.442 -0.003 0.000) 0.442 8.188 ( 1.693 -2.600 0.000) 3.103 8.190 ( -0.342 2.101 0.000) 2.129 8.263 ( -0.833 -1.587 0.000) 1.793 8.427 ( -0.826 -8.986 0.000) 9.024 8.455 ( 0.465 -9.532 0.000) 9.543 8.487 ( -1.541 -9.833 0.000) 9.953 8.550 ( -0.498 -10.854 0.000) 10.866 9.078 ( 1.952 2.115 0.000) 2.879 9.165 ( -0.599 -0.075 0.000) 0.604 9.170 ( 0.021 -0.813 0.000) 0.813 9.207 ( -0.368 -1.584 0.000) 1.626 9.281 ( -0.092 -0.781 0.000) 0.786 9.327 ( 0.849 -1.240 0.000) 1.502 9.377 ( -1.207 -2.775 0.000) 3.026 9.469 ( -1.569 -3.530 0.000) 3.863 9.930 ( 1.674 2.420 0.000) 2.942 9.965 ( -0.577 2.614 0.000) 2.677 10.022 ( 0.218 0.090 0.000) 0.236 10.026 ( -0.060 -1.308 0.000) 1.309 10.335 ( -0.917 -8.593 0.000) 8.641 10.342 ( -1.771 -9.555 0.000) 9.718 10.362 ( 0.136 -9.114 0.000) 9.115 10.418 ( 0.830 -11.791 0.000) 11.820 10.957 ( 2.362 -0.114 0.000) 2.365 10.959 ( -0.094 1.367 0.000) 1.370 10.961 ( 3.200 -0.289 0.000) 3.213 10.979 ( 0.480 0.542 0.000) 0.724 11.092 ( -1.124 -0.431 0.000) 1.203 11.112 ( -1.889 2.724 0.000) 3.315 11.141 ( -0.616 1.037 0.000) 1.206 11.151 ( -0.000 -2.966 0.000) 2.966 13.591 ( 0.490 4.404 0.000) 4.431 13.605 ( -0.015 3.355 0.000) 3.355 13.619 ( 0.085 2.340 0.000) 2.341 13.640 ( 0.153 1.813 0.000) 1.820 14.434 ( -0.005 1.933 0.000) 1.933 14.468 ( -0.704 2.020 0.000) 2.139 14.501 ( 0.468 -1.010 0.000) 1.113 14.537 ( -1.084 -1.116 0.000) 1.556 14.635 ( -1.329 1.588 0.000) 2.070 14.648 ( 0.485 1.587 0.000) 1.659 14.678 ( 0.683 0.876 0.000) 1.110 14.706 ( -2.808 -1.123 0.000) 3.024 14.803 ( -0.894 1.640 0.000) 1.868 14.853 ( -1.480 2.381 0.000) 2.804 14.919 ( -0.950 -3.346 0.000) 3.478 14.976 ( -0.954 -3.032 0.000) 3.178 15.167 ( -0.029 4.017 0.000) 4.017 15.203 ( -0.671 2.190 0.000) 2.291 15.265 ( 0.840 2.277 0.000) 2.427 15.279 ( 0.706 -1.540 0.000) 1.694 15.294 ( 0.398 0.227 0.000) 0.458 15.341 ( -1.018 0.600 0.000) 1.181 15.358 ( -0.112 1.216 0.000) 1.221 15.382 ( -1.384 -2.344 0.000) 2.723 18.065 ( -0.197 -0.160 0.000) 0.254 18.072 ( -0.003 -0.346 0.000) 0.346 18.085 ( -0.279 -0.380 0.000) 0.472 18.097 ( 0.033 -0.678 0.000) 0.679 19.444 ( -0.864 -0.128 0.000) 0.874 19.450 ( -1.059 1.908 0.000) 2.182 19.488 ( 0.055 -1.983 0.000) 1.984 19.553 ( -0.425 -2.821 0.000) 2.853 22.050 ( -3.907 5.276 0.000) 6.565 22.081 ( -1.174 6.384 0.000) 6.491 22.118 ( 1.649 0.585 0.000) 1.750 22.269 ( -0.949 -3.069 0.000) 3.213 22.351 ( 3.693 0.802 0.000) 3.779 22.529 ( 1.083 -4.691 0.000) 4.814 22.541 ( -1.796 1.673 0.000) 2.455 22.707 ( -1.808 -4.092 0.000) 4.474 24.549 ( 0.075 0.238 0.000) 0.249 24.550 ( 0.070 0.483 0.000) 0.488 24.554 ( 0.029 0.064 0.000) 0.070 24.554 ( 0.099 0.291 0.000) 0.307 28.014 ( 0.738 2.366 0.000) 2.479 28.097 ( 4.230 0.935 0.000) 4.332 28.099 ( 1.259 -0.034 0.000) 1.259 28.202 ( 3.507 -5.033 0.000) 6.134 28.271 ( 4.684 4.139 0.000) 6.250 28.435 ( 2.572 -4.623 0.000) 5.290 29.200 ( -10.219 13.945 0.000) 17.288 29.504 ( -13.812 0.595 0.000) 13.825 31.453 ( 0.900 0.399 0.000) 0.984 31.463 ( 0.791 4.453 0.000) 4.523 31.538 ( 2.248 -2.848 0.000) 3.628 31.709 ( -0.107 -6.528 0.000) 6.529 31.917 ( 1.089 5.885 0.000) 5.985 31.936 ( 1.980 5.327 0.000) 5.683 32.375 ( -10.056 9.625 0.000) 13.920 32.600 ( -12.305 -1.222 0.000) 12.365 33.256 ( 2.316 -3.274 0.000) 4.010 33.306 ( 2.131 -5.054 0.000) 5.485 33.612 ( -2.483 -0.252 0.000) 2.495 33.663 ( -3.087 -1.732 0.000) 3.540 36.512 ( 0.145 -0.269 0.000) 0.306 36.548 ( 0.914 -2.119 0.000) 2.308 36.810 ( -2.871 3.655 0.000) 4.648 36.848 ( -3.134 6.321 0.000) 7.055 36.881 ( -3.246 2.116 0.000) 3.875 36.996 ( -5.091 -2.165 0.000) 5.532 37.103 ( -0.408 -3.967 0.000) 3.988 37.123 ( -0.069 -2.709 0.000) 2.709 37.207 ( 5.234 8.182 0.000) 9.712 37.490 ( 1.025 10.242 0.000) 10.293 37.799 ( 16.814 -17.485 0.000) 24.258 38.060 ( 5.105 -14.756 0.000) 15.614 ======================= Grid point 16 (11/48) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( 17.884 11.460 0.000) 21.241 1.392 ( 9.660 8.664 0.000) 12.976 1.498 ( 9.221 0.901 0.000) 9.265 1.777 ( -3.252 -6.215 0.000) 7.015 1.882 ( -0.131 10.132 0.000) 10.133 1.890 ( 0.057 -3.451 0.000) 3.451 2.162 ( -0.659 1.668 0.000) 1.793 2.170 ( 0.005 3.872 0.000) 3.872 2.188 ( -4.859 -7.610 0.000) 9.029 2.267 ( -6.275 2.611 0.000) 6.797 2.407 ( -2.889 -2.330 0.000) 3.711 2.465 ( -7.934 -5.992 0.000) 9.942 2.585 ( 0.831 4.984 0.000) 5.053 2.693 ( 0.414 5.027 0.000) 5.044 2.815 ( 4.149 -1.718 0.000) 4.490 2.872 ( -0.661 8.751 0.000) 8.776 2.956 ( 0.536 -2.362 0.000) 2.422 2.994 ( 2.654 8.682 0.000) 9.079 3.102 ( -5.774 12.179 0.000) 13.478 3.122 ( 4.522 -0.184 0.000) 4.526 3.296 ( 0.367 27.126 0.000) 27.128 3.446 ( -5.623 11.693 0.000) 12.974 3.508 ( 4.200 11.220 0.000) 11.980 3.554 ( -4.225 6.099 0.000) 7.420 3.573 ( 3.568 8.192 0.000) 8.936 3.594 ( 3.820 14.824 0.000) 15.308 3.719 ( -1.200 -2.216 0.000) 2.520 3.770 ( -3.612 -0.843 0.000) 3.709 3.888 ( -4.599 4.587 0.000) 6.496 3.889 ( 3.878 6.538 0.000) 7.602 3.988 ( 4.173 -0.452 0.000) 4.198 4.053 ( 5.800 -2.495 0.000) 6.314 4.057 ( 4.322 2.035 0.000) 4.777 4.191 ( 7.598 -4.565 0.000) 8.863 4.243 ( -6.045 6.883 0.000) 9.160 4.398 ( -1.304 1.024 0.000) 1.658 4.492 ( -1.973 4.169 0.000) 4.612 4.518 ( -2.294 4.148 0.000) 4.740 4.552 ( -1.043 1.636 0.000) 1.940 4.579 ( -7.230 9.564 0.000) 11.989 4.652 ( -3.586 -3.225 0.000) 4.823 4.665 ( 0.909 -0.012 0.000) 0.909 4.715 ( -3.154 1.749 0.000) 3.606 4.734 ( -5.144 2.602 0.000) 5.764 4.839 ( -3.364 0.726 0.000) 3.442 4.864 ( -5.354 4.232 0.000) 6.824 4.939 ( -2.660 0.924 0.000) 2.816 4.942 ( -6.069 -5.023 0.000) 7.878 5.097 ( 1.190 -1.338 0.000) 1.791 5.129 ( -0.648 6.770 0.000) 6.801 5.193 ( 3.900 -3.882 0.000) 5.503 5.244 ( -1.432 0.536 0.000) 1.529 5.603 ( -1.864 5.770 0.000) 6.064 5.647 ( -3.706 2.439 0.000) 4.437 5.782 ( -5.151 -0.542 0.000) 5.179 5.819 ( -7.361 -3.268 0.000) 8.054 5.956 ( 0.043 4.655 0.000) 4.656 5.992 ( -2.523 1.690 0.000) 3.037 6.064 ( -3.399 0.032 0.000) 3.399 6.149 ( -4.187 -4.532 0.000) 6.170 6.228 ( 1.547 2.547 0.000) 2.980 6.314 ( -1.732 2.896 0.000) 3.375 6.360 ( -0.945 -4.607 0.000) 4.703 6.366 ( -0.459 -0.465 0.000) 0.654 6.681 ( 8.412 3.762 0.000) 9.215 6.689 ( 8.722 4.237 0.000) 9.697 6.764 ( 9.188 0.821 0.000) 9.225 6.808 ( 8.796 -1.008 0.000) 8.854 6.895 ( 5.484 0.827 0.000) 5.546 7.021 ( 4.580 -4.554 0.000) 6.458 7.039 ( 2.278 -0.570 0.000) 2.348 7.211 ( -2.775 -9.727 0.000) 10.115 8.139 ( 0.836 0.717 0.000) 1.101 8.178 ( -0.761 1.740 0.000) 1.899 8.216 ( 0.816 -2.078 0.000) 2.232 8.243 ( -0.902 -1.422 0.000) 1.684 8.413 ( -0.229 -9.101 0.000) 9.104 8.450 ( -1.668 -9.380 0.000) 9.527 8.471 ( 1.041 -10.739 0.000) 10.790 8.531 ( -1.266 -11.204 0.000) 11.275 9.115 ( 1.335 1.783 0.000) 2.228 9.149 ( -0.805 0.676 0.000) 1.051 9.165 ( -0.247 1.000 0.000) 1.030 9.193 ( -0.877 -0.339 0.000) 0.940 9.285 ( 0.533 -2.510 0.000) 2.566 9.342 ( -1.890 -3.122 0.000) 3.650 9.348 ( 1.115 -1.915 0.000) 2.216 9.425 ( -2.320 -3.655 0.000) 4.329 9.954 ( -0.247 3.286 0.000) 3.295 9.960 ( 0.610 2.787 0.000) 2.853 10.023 ( -0.002 0.790 0.000) 0.790 10.025 ( -0.022 -0.568 0.000) 0.569 10.310 ( -1.034 -9.123 0.000) 9.181 10.310 ( -1.054 -9.069 0.000) 9.130 10.378 ( 1.196 -11.675 0.000) 11.736 10.424 ( -0.311 -12.643 0.000) 12.647 10.960 ( 0.674 1.295 0.000) 1.460 10.988 ( 0.751 0.034 0.000) 0.752 11.000 ( 0.849 0.675 0.000) 1.085 11.041 ( 2.457 -1.686 0.000) 2.980 11.072 ( -0.570 2.292 0.000) 2.362 11.107 ( 1.410 -1.352 0.000) 1.953 11.129 ( -0.121 -0.969 0.000) 0.977 11.151 ( -0.090 -3.029 0.000) 3.031 13.603 ( 0.472 4.391 0.000) 4.416 13.606 ( 0.127 3.764 0.000) 3.766 13.626 ( 0.504 2.415 0.000) 2.467 13.642 ( -0.041 2.209 0.000) 2.209 14.433 ( -0.013 1.893 0.000) 1.893 14.451 ( -0.837 1.711 0.000) 1.905 14.508 ( 0.062 -1.456 0.000) 1.457 14.515 ( -0.777 -1.409 0.000) 1.610 14.620 ( 0.315 1.010 0.000) 1.058 14.659 ( 0.236 1.597 0.000) 1.615 14.659 ( -1.060 -0.351 0.000) 1.117 14.680 ( -0.733 0.906 0.000) 1.165 14.785 ( -0.404 1.693 0.000) 1.740 14.821 ( -1.486 2.876 0.000) 3.237 14.900 ( -0.449 -3.400 0.000) 3.430 14.943 ( -1.815 -2.797 0.000) 3.334 15.169 ( 0.247 3.842 0.000) 3.850 15.190 ( -0.564 2.820 0.000) 2.876 15.270 ( 0.384 1.064 0.000) 1.131 15.304 ( 0.342 -1.143 0.000) 1.194 15.310 ( 1.420 -0.245 0.000) 1.441 15.315 ( -1.100 2.267 0.000) 2.520 15.349 ( -1.457 -0.188 0.000) 1.469 15.352 ( -0.488 0.934 0.000) 1.053 18.062 ( 0.000 -0.431 0.000) 0.431 18.077 ( -0.474 -0.416 0.000) 0.631 18.077 ( 0.401 -0.987 0.000) 1.065 18.095 ( -0.222 -1.067 0.000) 1.090 19.423 ( -0.875 0.253 0.000) 0.911 19.425 ( -1.004 1.363 0.000) 1.693 19.493 ( 0.482 -2.782 0.000) 2.824 19.535 ( -1.126 -3.747 0.000) 3.912 22.001 ( -0.645 7.212 0.000) 7.241 22.047 ( -1.765 6.600 0.000) 6.832 22.161 ( 2.117 -1.084 0.000) 2.378 22.242 ( -1.539 -2.924 0.000) 3.305 22.412 ( 2.074 0.029 0.000) 2.074 22.495 ( -2.209 1.445 0.000) 2.639 22.560 ( 1.730 -4.444 0.000) 4.769 22.658 ( -2.564 -4.158 0.000) 4.885 24.551 ( 0.087 0.298 0.000) 0.310 24.551 ( 0.072 0.469 0.000) 0.475 24.555 ( 0.076 0.138 0.000) 0.157 24.556 ( 0.061 0.269 0.000) 0.276 28.053 ( 2.614 1.885 0.000) 3.223 28.126 ( 0.622 0.456 0.000) 0.771 28.197 ( 4.290 -1.860 0.000) 4.676 28.257 ( 1.254 -4.432 0.000) 4.606 28.403 ( 7.452 5.997 0.000) 9.565 28.553 ( 8.991 -1.350 0.000) 9.092 28.916 ( -14.714 12.673 0.000) 19.419 29.161 ( -16.712 2.182 0.000) 16.854 31.477 ( 1.053 1.398 0.000) 1.750 31.482 ( 0.832 3.841 0.000) 3.930 31.598 ( 3.040 -3.611 0.000) 4.721 31.697 ( -1.114 -5.347 0.000) 5.462 31.954 ( 2.393 6.397 0.000) 6.830 32.005 ( 4.541 4.905 0.000) 6.684 32.162 ( -8.330 10.016 0.000) 13.028 32.344 ( -10.930 1.267 0.000) 11.003 33.326 ( 4.003 -3.222 0.000) 5.138 33.372 ( 3.855 -4.791 0.000) 6.150 33.530 ( -4.724 -1.717 0.000) 5.027 33.575 ( -4.768 -3.092 0.000) 5.683 36.539 ( 2.285 -0.039 0.000) 2.285 36.587 ( 2.874 -2.491 0.000) 3.803 36.717 ( -5.160 1.290 0.000) 5.319 36.793 ( -5.426 -2.119 0.000) 5.825 36.814 ( -0.135 5.866 0.000) 5.867 36.884 ( -3.641 3.777 0.000) 5.246 37.105 ( 0.096 -4.511 0.000) 4.512 37.108 ( -0.387 -6.459 0.000) 6.471 37.354 ( 6.483 13.878 0.000) 15.317 37.502 ( -0.318 12.759 0.000) 12.763 38.081 ( 8.753 -19.669 0.000) 21.529 38.162 ( 3.493 -16.187 0.000) 16.560 ======================= Grid point 17 (12/48) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( -0.088 5.668 0.000) 5.668 1.530 ( 0.088 5.668 0.000) 5.668 1.739 ( -11.118 5.863 0.000) 12.569 1.739 ( 11.118 5.863 0.000) 12.569 1.829 ( -5.786 3.048 0.000) 6.539 1.829 ( 5.786 3.048 0.000) 6.539 2.105 ( -0.538 3.174 0.000) 3.219 2.105 ( 0.538 3.174 0.000) 3.219 2.253 ( -8.962 -9.029 0.000) 12.722 2.253 ( 8.962 -9.029 0.000) 12.722 2.262 ( -3.939 -3.413 0.000) 5.212 2.262 ( 3.939 -3.413 0.000) 5.212 2.669 ( -2.696 4.658 0.000) 5.382 2.669 ( 2.696 4.658 0.000) 5.382 2.857 ( -0.964 0.745 0.000) 1.219 2.857 ( 0.964 0.745 0.000) 1.219 2.990 ( -2.491 1.715 0.000) 3.024 2.990 ( 2.491 1.715 0.000) 3.024 3.102 ( -4.749 10.317 0.000) 11.357 3.102 ( 4.749 10.317 0.000) 11.357 3.357 ( -3.596 18.381 0.000) 18.730 3.357 ( 3.596 18.382 0.000) 18.730 3.540 ( -1.971 7.275 0.000) 7.537 3.540 ( 1.971 7.275 0.000) 7.537 3.691 ( -3.587 -1.378 0.000) 3.842 3.691 ( 3.587 -1.378 0.000) 3.842 3.695 ( -6.166 10.937 0.000) 12.556 3.695 ( 6.166 10.937 0.000) 12.556 3.902 ( -8.417 5.766 0.000) 10.203 3.902 ( 8.417 5.766 0.000) 10.203 4.034 ( -2.440 8.270 0.000) 8.622 4.034 ( 2.440 8.270 0.000) 8.622 4.149 ( -1.515 1.904 0.000) 2.433 4.149 ( 1.515 1.904 0.000) 2.433 4.366 ( -4.315 4.985 0.000) 6.593 4.366 ( 4.315 4.985 0.000) 6.593 4.410 ( -7.256 -2.650 0.000) 7.725 4.410 ( 7.256 -2.650 0.000) 7.725 4.547 ( -2.192 -2.802 0.000) 3.558 4.547 ( 2.192 -2.802 0.000) 3.558 4.624 ( -5.547 6.052 0.000) 8.210 4.624 ( 5.547 6.052 0.000) 8.210 4.694 ( -0.588 1.025 0.000) 1.182 4.694 ( 0.588 1.025 0.000) 1.182 4.793 ( -0.160 0.797 0.000) 0.813 4.793 ( 0.160 0.797 0.000) 0.813 4.904 ( -0.549 -1.634 0.000) 1.724 4.904 ( 0.549 -1.634 0.000) 1.724 5.105 ( -0.515 3.304 0.000) 3.344 5.105 ( 0.515 3.304 0.000) 3.344 5.242 ( -0.380 -1.936 0.000) 1.973 5.242 ( 0.380 -1.936 0.000) 1.973 5.587 ( -1.488 2.179 0.000) 2.639 5.587 ( 1.488 2.179 0.000) 2.639 5.726 ( -0.362 -0.656 0.000) 0.749 5.726 ( 0.362 -0.656 0.000) 0.749 5.962 ( -0.711 2.988 0.000) 3.071 5.962 ( 0.711 2.988 0.000) 3.071 6.061 ( -2.883 -3.055 0.000) 4.201 6.061 ( 2.883 -3.055 0.000) 4.201 6.271 ( -2.163 3.113 0.000) 3.791 6.271 ( 2.163 3.113 0.000) 3.791 6.355 ( -0.360 -2.223 0.000) 2.252 6.355 ( 0.360 -2.223 0.000) 2.252 6.789 ( -0.362 3.991 0.000) 4.008 6.789 ( 0.362 3.991 0.000) 4.008 6.888 ( -1.527 0.734 0.000) 1.694 6.888 ( 1.527 0.734 0.000) 1.694 7.022 ( -4.353 -2.009 0.000) 4.795 7.022 ( 4.353 -2.009 0.000) 4.795 7.111 ( -4.677 -5.164 0.000) 6.967 7.111 ( 4.677 -5.164 0.000) 6.967 8.158 ( -0.952 1.237 0.000) 1.561 8.158 ( 0.952 1.237 0.000) 1.561 8.228 ( -0.492 -1.436 0.000) 1.518 8.228 ( 0.492 -1.436 0.000) 1.518 8.421 ( -0.927 -9.243 0.000) 9.289 8.421 ( 0.927 -9.243 0.000) 9.289 8.500 ( -1.510 -11.256 0.000) 11.357 8.500 ( 1.510 -11.256 0.000) 11.357 9.134 ( -0.598 1.650 0.000) 1.755 9.134 ( 0.598 1.650 0.000) 1.755 9.172 ( -0.877 0.978 0.000) 1.314 9.172 ( 0.877 0.978 0.000) 1.314 9.305 ( -1.353 -3.451 0.000) 3.706 9.305 ( 1.353 -3.451 0.000) 3.706 9.379 ( -1.776 -3.151 0.000) 3.617 9.379 ( 1.776 -3.151 0.000) 3.617 9.957 ( -0.464 3.480 0.000) 3.511 9.957 ( 0.464 3.480 0.000) 3.511 10.025 ( -0.033 0.259 0.000) 0.261 10.025 ( 0.033 0.259 0.000) 0.261 10.299 ( -0.016 -9.241 0.000) 9.241 10.299 ( 0.016 -9.241 0.000) 9.241 10.406 ( -1.209 -12.717 0.000) 12.775 10.406 ( 1.209 -12.717 0.000) 12.775 10.988 ( -1.463 1.012 0.000) 1.779 10.988 ( 1.463 1.012 0.000) 1.779 11.016 ( -1.784 0.057 0.000) 1.785 11.016 ( 1.784 0.057 0.000) 1.785 11.117 ( -1.194 -1.499 0.000) 1.917 11.117 ( 1.194 -1.499 0.000) 1.917 11.138 ( -0.819 -2.105 0.000) 2.258 11.138 ( 0.819 -2.105 0.000) 2.258 13.608 ( -0.037 4.179 0.000) 4.179 13.608 ( 0.037 4.179 0.000) 4.179 13.637 ( -0.422 2.436 0.000) 2.472 13.637 ( 0.422 2.436 0.000) 2.472 14.437 ( -0.386 1.705 0.000) 1.749 14.437 ( 0.386 1.705 0.000) 1.749 14.507 ( -0.055 -1.592 0.000) 1.593 14.507 ( 0.055 -1.592 0.000) 1.593 14.645 ( -1.580 0.858 0.000) 1.797 14.645 ( 1.580 0.858 0.000) 1.797 14.658 ( -0.639 0.570 0.000) 0.857 14.658 ( 0.639 0.570 0.000) 0.857 14.792 ( -1.005 2.348 0.000) 2.554 14.792 ( 1.005 2.348 0.000) 2.554 14.908 ( -1.189 -3.032 0.000) 3.257 14.908 ( 1.189 -3.032 0.000) 3.257 15.178 ( -0.524 3.403 0.000) 3.443 15.178 ( 0.524 3.403 0.000) 3.443 15.286 ( -1.044 0.589 0.000) 1.199 15.286 ( 1.044 0.589 0.000) 1.199 15.322 ( -0.839 0.421 0.000) 0.938 15.322 ( 0.839 0.421 0.000) 0.938 15.337 ( -0.837 0.796 0.000) 1.155 15.337 ( 0.837 0.796 0.000) 1.155 18.067 ( -0.401 -0.470 0.000) 0.618 18.067 ( 0.401 -0.470 0.000) 0.618 18.087 ( -0.487 -1.274 0.000) 1.364 18.087 ( 0.487 -1.274 0.000) 1.364 19.413 ( -0.033 0.787 0.000) 0.788 19.413 ( 0.033 0.787 0.000) 0.788 19.510 ( -1.078 -3.576 0.000) 3.735 19.510 ( 1.078 -3.576 0.000) 3.735 22.012 ( -1.314 7.003 0.000) 7.126 22.012 ( 1.314 7.003 0.000) 7.126 22.205 ( -1.866 -2.361 0.000) 3.009 22.205 ( 1.866 -2.361 0.000) 3.009 22.452 ( -1.824 0.800 0.000) 1.992 22.452 ( 1.824 0.800 0.000) 1.992 22.604 ( -2.320 -4.228 0.000) 4.822 22.604 ( 2.320 -4.228 0.000) 4.822 24.552 ( -0.007 0.399 0.000) 0.399 24.552 ( 0.007 0.399 0.000) 0.399 24.556 ( -0.046 0.219 0.000) 0.224 24.556 ( 0.046 0.219 0.000) 0.224 28.110 ( -2.079 1.035 0.000) 2.322 28.110 ( 2.079 1.035 0.000) 2.322 28.257 ( -1.250 -3.734 0.000) 3.938 28.257 ( 1.250 -3.734 0.000) 3.938 28.615 ( -12.321 9.756 0.000) 15.716 28.615 ( 12.321 9.756 0.000) 15.716 28.815 ( -14.662 0.827 0.000) 14.686 28.815 ( 14.662 0.827 0.000) 14.686 31.491 ( -0.151 2.693 0.000) 2.698 31.491 ( 0.151 2.693 0.000) 2.698 31.659 ( -2.386 -4.361 0.000) 4.971 31.659 ( 2.386 -4.361 0.000) 4.971 32.026 ( -4.513 7.916 0.000) 9.112 32.026 ( 4.513 7.916 0.000) 9.112 32.138 ( -7.909 3.270 0.000) 8.559 32.138 ( 7.909 3.270 0.000) 8.559 33.423 ( -4.906 -2.727 0.000) 5.612 33.423 ( 4.906 -2.727 0.000) 5.612 33.468 ( -4.908 -4.185 0.000) 6.450 33.468 ( 4.908 -4.185 0.000) 6.450 36.610 ( -4.307 0.251 0.000) 4.315 36.610 ( 4.307 0.251 0.000) 4.315 36.673 ( -5.018 -2.966 0.000) 5.829 36.673 ( 5.018 -2.966 0.000) 5.829 36.832 ( -1.591 5.618 0.000) 5.839 36.832 ( 1.591 5.618 0.000) 5.839 37.105 ( -0.007 -5.634 0.000) 5.634 37.105 ( 0.007 -5.634 0.000) 5.634 37.463 ( -3.422 14.297 0.000) 14.700 37.463 ( 3.422 14.297 0.000) 14.700 38.187 ( -1.500 -17.916 0.000) 17.979 38.187 ( 1.500 -17.916 0.000) 17.979 ======================= Grid point 21 (13/48) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( 0.000 -7.708 0.000) 7.708 1.090 ( 0.000 7.708 0.000) 7.708 1.451 ( 0.000 -18.385 0.000) 18.385 1.451 ( 0.000 18.385 0.000) 18.385 2.042 ( 0.000 -5.214 0.000) 5.214 2.042 ( 0.000 5.214 0.000) 5.214 2.094 ( 0.000 -11.895 0.000) 11.895 2.094 ( 0.000 11.895 0.000) 11.895 2.138 ( 0.000 -9.841 0.000) 9.841 2.138 ( 0.000 9.841 0.000) 9.841 2.536 ( 0.000 -0.525 0.000) 0.525 2.536 ( 0.000 0.525 0.000) 0.525 2.616 ( 0.000 -0.542 0.000) 0.542 2.616 ( 0.000 0.542 0.000) 0.542 2.851 ( 0.000 -8.596 0.000) 8.596 2.851 ( 0.000 8.596 0.000) 8.596 3.028 ( 0.000 -3.396 0.000) 3.396 3.028 ( 0.000 3.396 0.000) 3.396 3.182 ( 0.000 -11.737 0.000) 11.737 3.182 ( 0.000 11.737 0.000) 11.737 3.620 ( 0.000 -10.020 0.000) 10.020 3.620 ( 0.000 10.020 0.000) 10.020 3.622 ( 0.000 -2.828 0.000) 2.828 3.622 ( 0.000 2.828 0.000) 2.828 3.710 ( 0.000 -1.761 0.000) 1.761 3.710 ( 0.000 1.761 0.000) 1.761 3.801 ( 0.000 -4.954 0.000) 4.954 3.801 ( 0.000 4.954 0.000) 4.954 3.931 ( 0.000 -0.520 0.000) 0.520 3.931 ( 0.000 0.520 0.000) 0.520 4.059 ( 0.000 -7.275 0.000) 7.275 4.059 ( 0.000 7.275 0.000) 7.275 4.262 ( 0.000 -1.015 0.000) 1.015 4.262 ( 0.000 1.015 0.000) 1.015 4.418 ( 0.000 -0.203 0.000) 0.203 4.418 ( 0.000 0.203 0.000) 0.203 4.420 ( 0.000 -6.208 0.000) 6.208 4.420 ( 0.000 6.208 0.000) 6.208 4.614 ( 0.000 -1.458 0.000) 1.458 4.614 ( 0.000 1.458 0.000) 1.458 4.757 ( 0.000 -1.085 0.000) 1.085 4.757 ( 0.000 1.085 0.000) 1.085 4.842 ( 0.000 -7.252 0.000) 7.252 4.842 ( 0.000 7.252 0.000) 7.252 4.928 ( 0.000 -5.476 0.000) 5.476 4.928 ( 0.000 5.476 0.000) 5.476 5.030 ( 0.000 -0.972 0.000) 0.972 5.030 ( 0.000 0.972 0.000) 0.972 5.206 ( 0.000 -0.852 0.000) 0.852 5.206 ( 0.000 0.852 0.000) 0.852 5.323 ( 0.000 -5.205 0.000) 5.205 5.323 ( 0.000 5.205 0.000) 5.205 5.897 ( 0.000 -6.400 0.000) 6.400 5.897 ( 0.000 6.400 0.000) 6.400 5.913 ( 0.000 -4.402 0.000) 4.402 5.913 ( 0.000 4.402 0.000) 4.402 6.128 ( 0.000 -6.045 0.000) 6.045 6.128 ( 0.000 6.045 0.000) 6.045 6.221 ( 0.000 -0.380 0.000) 0.380 6.221 ( 0.000 0.380 0.000) 0.380 6.222 ( 0.000 -0.959 0.000) 0.959 6.222 ( 0.000 0.959 0.000) 0.959 6.313 ( 0.000 -3.306 0.000) 3.306 6.313 ( 0.000 3.306 0.000) 3.306 6.478 ( 0.000 -3.660 0.000) 3.660 6.478 ( 0.000 3.660 0.000) 3.660 6.516 ( 0.000 -2.296 0.000) 2.296 6.516 ( 0.000 2.296 0.000) 2.296 6.761 ( 0.000 -0.920 0.000) 0.920 6.761 ( 0.000 0.920 0.000) 0.920 6.895 ( 0.000 -2.895 0.000) 2.895 6.895 ( 0.000 2.895 0.000) 2.895 8.125 ( 0.000 -1.039 0.000) 1.039 8.125 ( 0.000 1.039 0.000) 1.039 8.236 ( 0.000 -1.858 0.000) 1.858 8.236 ( 0.000 1.858 0.000) 1.858 8.335 ( 0.000 -0.981 0.000) 0.981 8.335 ( 0.000 0.981 0.000) 0.981 8.393 ( 0.000 -1.761 0.000) 1.761 8.393 ( 0.000 1.761 0.000) 1.761 9.108 ( 0.000 -2.897 0.000) 2.897 9.108 ( 0.000 2.897 0.000) 2.897 9.169 ( 0.000 -0.968 0.000) 0.968 9.169 ( 0.000 0.968 0.000) 0.968 9.300 ( 0.000 -0.781 0.000) 0.781 9.300 ( 0.000 0.781 0.000) 0.781 9.417 ( 0.000 -3.385 0.000) 3.385 9.417 ( 0.000 3.385 0.000) 3.385 9.978 ( 0.000 -3.386 0.000) 3.386 9.978 ( 0.000 3.386 0.000) 3.386 10.007 ( 0.000 -0.832 0.000) 0.832 10.007 ( 0.000 0.832 0.000) 0.832 10.260 ( 0.000 -1.467 0.000) 1.467 10.260 ( 0.000 1.467 0.000) 1.467 10.260 ( 0.000 -0.908 0.000) 0.908 10.260 ( 0.000 0.908 0.000) 0.908 10.926 ( 0.000 -0.014 0.000) 0.014 10.926 ( 0.000 0.014 0.000) 0.014 10.971 ( 0.000 -0.401 0.000) 0.401 10.971 ( 0.000 0.401 0.000) 0.401 11.125 ( 0.000 -0.437 0.000) 0.437 11.125 ( 0.000 0.437 0.000) 0.437 11.167 ( 0.000 -0.173 0.000) 0.173 11.167 ( 0.000 0.173 0.000) 0.173 13.643 ( 0.000 -0.255 0.000) 0.255 13.643 ( 0.000 0.255 0.000) 0.255 13.645 ( 0.000 -1.174 0.000) 1.174 13.645 ( 0.000 1.174 0.000) 1.174 14.470 ( 0.000 -1.494 0.000) 1.494 14.470 ( 0.000 1.494 0.000) 1.494 14.522 ( 0.000 -1.873 0.000) 1.873 14.522 ( 0.000 1.873 0.000) 1.873 14.666 ( 0.000 -0.783 0.000) 0.783 14.666 ( 0.000 0.783 0.000) 0.783 14.703 ( 0.000 -2.364 0.000) 2.364 14.703 ( 0.000 2.364 0.000) 2.364 14.862 ( 0.000 -2.939 0.000) 2.939 14.862 ( 0.000 2.939 0.000) 2.939 14.914 ( 0.000 -2.721 0.000) 2.721 14.914 ( 0.000 2.721 0.000) 2.721 15.238 ( 0.000 -1.249 0.000) 1.249 15.238 ( 0.000 1.249 0.000) 1.249 15.249 ( 0.000 -3.368 0.000) 3.368 15.249 ( 0.000 3.368 0.000) 3.368 15.323 ( 0.000 -3.583 0.000) 3.583 15.323 ( 0.000 3.583 0.000) 3.583 15.371 ( 0.000 -0.488 0.000) 0.488 15.371 ( 0.000 0.488 0.000) 0.488 18.071 ( 0.000 -0.143 0.000) 0.143 18.071 ( 0.000 0.143 0.000) 0.143 18.087 ( 0.000 -0.272 0.000) 0.272 18.087 ( 0.000 0.272 0.000) 0.272 19.460 ( 0.000 -0.835 0.000) 0.835 19.460 ( 0.000 0.835 0.000) 0.835 19.511 ( 0.000 -2.327 0.000) 2.327 19.511 ( 0.000 2.327 0.000) 2.327 22.118 ( 0.000 -0.815 0.000) 0.815 22.118 ( 0.000 0.815 0.000) 0.815 22.205 ( 0.000 -4.237 0.000) 4.237 22.205 ( 0.000 4.237 0.000) 4.237 22.404 ( 0.000 -5.835 0.000) 5.835 22.404 ( 0.000 5.835 0.000) 5.835 22.633 ( 0.000 -4.559 0.000) 4.559 22.633 ( 0.000 4.559 0.000) 4.559 24.552 ( 0.000 -0.138 0.000) 0.138 24.552 ( 0.000 0.138 0.000) 0.138 24.555 ( 0.000 -0.103 0.000) 0.103 24.555 ( 0.000 0.103 0.000) 0.103 28.056 ( 0.000 -0.736 0.000) 0.736 28.056 ( 0.000 0.736 0.000) 0.736 28.091 ( 0.000 -1.060 0.000) 1.060 28.091 ( 0.000 1.060 0.000) 1.060 28.300 ( 0.000 -4.430 0.000) 4.430 28.300 ( 0.000 4.430 0.000) 4.430 29.556 ( 0.000 -8.526 0.000) 8.526 29.556 ( 0.000 8.526 0.000) 8.526 31.464 ( 0.000 -1.846 0.000) 1.846 31.464 ( 0.000 1.846 0.000) 1.846 31.568 ( 0.000 -6.177 0.000) 6.177 31.568 ( 0.000 6.177 0.000) 6.177 31.975 ( 0.000 -0.028 0.000) 0.028 31.975 ( 0.000 0.028 0.000) 0.028 32.643 ( 0.000 -6.529 0.000) 6.529 32.643 ( 0.000 6.529 0.000) 6.529 33.206 ( 0.000 -1.417 0.000) 1.417 33.206 ( 0.000 1.417 0.000) 1.417 33.668 ( 0.000 -1.645 0.000) 1.645 33.668 ( 0.000 1.645 0.000) 1.645 36.511 ( 0.000 -0.547 0.000) 0.547 36.511 ( 0.000 0.547 0.000) 0.547 36.942 ( 0.000 -5.008 0.000) 5.008 36.942 ( 0.000 5.008 0.000) 5.008 37.024 ( 0.000 -5.038 0.000) 5.038 37.024 ( 0.000 5.038 0.000) 5.038 37.063 ( 0.000 -6.327 0.000) 6.327 37.063 ( 0.000 6.327 0.000) 6.327 37.300 ( 0.000 -10.077 0.000) 10.077 37.300 ( 0.000 10.077 0.000) 10.077 37.705 ( 0.000 -12.738 0.000) 12.738 37.705 ( 0.000 12.738 0.000) 12.738 ======================= Grid point 23 (14/48) ======================= q-point: ( 0.17 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( 10.218 -6.940 0.000) 12.352 1.201 ( 10.218 6.940 0.000) 12.352 1.535 ( 4.673 -15.234 0.000) 15.935 1.535 ( 4.673 15.234 0.000) 15.935 1.974 ( -3.093 -7.029 0.000) 7.679 1.974 ( -3.093 7.029 0.000) 7.679 2.066 ( -0.406 -10.827 0.000) 10.835 2.066 ( -0.406 10.827 0.000) 10.835 2.272 ( 6.971 -3.850 0.000) 7.964 2.272 ( 6.971 3.850 0.000) 7.964 2.479 ( -4.981 -0.834 0.000) 5.051 2.479 ( -4.981 0.834 0.000) 5.051 2.645 ( 2.491 -1.726 0.000) 3.031 2.645 ( 2.491 1.726 0.000) 3.031 2.868 ( 0.535 -8.802 0.000) 8.819 2.868 ( 0.535 8.802 0.000) 8.819 2.995 ( -1.860 -3.830 0.000) 4.258 2.995 ( -1.860 3.830 0.000) 4.258 3.196 ( 0.212 -9.283 0.000) 9.285 3.196 ( 0.212 9.283 0.000) 9.285 3.612 ( -2.738 -5.114 0.000) 5.801 3.612 ( -2.738 5.114 0.000) 5.801 3.626 ( 0.508 -7.095 0.000) 7.113 3.626 ( 0.508 7.095 0.000) 7.113 3.712 ( 2.399 -8.352 0.000) 8.690 3.712 ( 2.399 8.352 0.000) 8.690 3.841 ( -0.102 -5.218 0.000) 5.219 3.841 ( -0.102 5.218 0.000) 5.219 3.908 ( 1.265 -2.732 0.000) 3.011 3.908 ( 1.265 2.732 0.000) 3.011 4.030 ( -1.846 -8.859 0.000) 9.049 4.030 ( -1.846 8.859 0.000) 9.049 4.074 ( -10.168 -4.975 0.000) 11.320 4.074 ( -10.168 4.975 0.000) 11.320 4.442 ( 1.334 -4.212 0.000) 4.419 4.442 ( 1.334 4.212 0.000) 4.419 4.446 ( 1.505 -3.511 0.000) 3.820 4.446 ( 1.505 3.511 0.000) 3.820 4.622 ( -0.113 -7.380 0.000) 7.381 4.622 ( -0.113 7.380 0.000) 7.381 4.775 ( 1.140 -4.654 0.000) 4.791 4.775 ( 1.140 4.654 0.000) 4.791 4.833 ( -2.535 -5.113 0.000) 5.707 4.833 ( -2.535 5.113 0.000) 5.707 4.937 ( 0.240 -3.384 0.000) 3.393 4.937 ( 0.240 3.384 0.000) 3.393 5.007 ( -2.363 -1.819 0.000) 2.982 5.007 ( -2.363 1.819 0.000) 2.982 5.159 ( -11.369 -4.762 0.000) 12.326 5.159 ( -11.369 4.762 0.000) 12.326 5.232 ( 1.585 -3.838 0.000) 4.153 5.232 ( 1.585 3.838 0.000) 4.153 5.842 ( -4.712 -6.616 0.000) 8.123 5.842 ( -4.712 6.616 0.000) 8.123 5.854 ( -4.991 -5.034 0.000) 7.089 5.854 ( -4.991 5.034 0.000) 7.089 6.105 ( -1.978 -6.706 0.000) 6.992 6.105 ( -1.978 6.706 0.000) 6.992 6.142 ( -5.979 -2.498 0.000) 6.480 6.142 ( -5.979 2.498 0.000) 6.480 6.257 ( 1.653 -4.685 0.000) 4.968 6.257 ( 1.653 4.685 0.000) 4.968 6.360 ( 1.940 -0.654 0.000) 2.047 6.360 ( 1.940 0.654 0.000) 2.047 6.550 ( 7.816 -0.571 0.000) 7.837 6.550 ( 7.816 0.571 0.000) 7.837 6.566 ( 6.345 -1.832 0.000) 6.604 6.566 ( 6.345 1.832 0.000) 6.604 6.832 ( 5.130 -2.593 0.000) 5.748 6.832 ( 5.130 2.593 0.000) 5.748 6.988 ( 5.898 -4.654 0.000) 7.513 6.988 ( 5.898 4.654 0.000) 7.513 8.141 ( 1.252 -1.626 0.000) 2.052 8.141 ( 1.252 1.626 0.000) 2.052 8.229 ( -0.639 -1.647 0.000) 1.766 8.229 ( -0.639 1.647 0.000) 1.766 8.326 ( -0.700 -1.131 0.000) 1.331 8.326 ( -0.700 1.131 0.000) 1.331 8.383 ( -0.952 -2.113 0.000) 2.318 8.383 ( -0.952 2.113 0.000) 2.318 9.118 ( 0.798 -2.308 0.000) 2.442 9.118 ( 0.798 2.308 0.000) 2.442 9.166 ( -0.245 -1.086 0.000) 1.113 9.166 ( -0.245 1.086 0.000) 1.113 9.309 ( 0.593 -1.284 0.000) 1.415 9.309 ( 0.593 1.284 0.000) 1.415 9.402 ( -1.348 -3.211 0.000) 3.482 9.402 ( -1.348 3.211 0.000) 3.482 9.992 ( 1.138 -3.018 0.000) 3.225 9.992 ( 1.138 3.018 0.000) 3.225 10.007 ( -0.008 -1.088 0.000) 1.088 10.007 ( -0.008 1.088 0.000) 1.088 10.244 ( -1.232 -1.276 0.000) 1.774 10.244 ( -1.232 1.276 0.000) 1.774 10.254 ( -0.583 -2.268 0.000) 2.341 10.254 ( -0.583 2.268 0.000) 2.341 10.957 ( 2.618 -0.121 0.000) 2.621 10.957 ( 2.618 0.121 0.000) 2.621 10.978 ( 0.252 -0.526 0.000) 0.583 10.978 ( 0.252 0.526 0.000) 0.583 11.105 ( -0.904 -1.452 0.000) 1.711 11.105 ( -0.904 1.452 0.000) 1.711 11.147 ( -1.682 -0.675 0.000) 1.812 11.147 ( -1.682 0.675 0.000) 1.812 13.644 ( 0.141 -0.221 0.000) 0.262 13.644 ( 0.141 0.221 0.000) 0.262 13.650 ( 0.420 -1.085 0.000) 1.164 13.650 ( 0.420 1.085 0.000) 1.164 14.473 ( 0.141 -1.643 0.000) 1.649 14.473 ( 0.141 1.643 0.000) 1.649 14.509 ( -1.074 -1.683 0.000) 1.996 14.509 ( -1.074 1.683 0.000) 1.996 14.673 ( -2.122 -1.873 0.000) 2.830 14.673 ( -2.122 1.873 0.000) 2.830 14.676 ( 0.707 -0.926 0.000) 1.165 14.676 ( 0.707 0.926 0.000) 1.165 14.850 ( -0.984 -2.894 0.000) 3.057 14.850 ( -0.984 2.894 0.000) 3.057 14.908 ( -0.716 -3.027 0.000) 3.111 14.908 ( -0.716 3.027 0.000) 3.111 15.243 ( 0.335 -1.825 0.000) 1.856 15.243 ( 0.335 1.825 0.000) 1.856 15.249 ( -0.034 -3.452 0.000) 3.452 15.249 ( -0.034 3.452 0.000) 3.452 15.325 ( 0.143 -3.042 0.000) 3.046 15.325 ( 0.143 3.042 0.000) 3.046 15.367 ( -0.368 -0.698 0.000) 0.789 15.367 ( -0.368 0.698 0.000) 0.789 18.066 ( -0.342 -0.222 0.000) 0.408 18.066 ( -0.342 0.222 0.000) 0.408 18.085 ( -0.223 -0.359 0.000) 0.423 18.085 ( -0.223 0.359 0.000) 0.423 19.454 ( -0.496 -1.092 0.000) 1.199 19.454 ( -0.496 1.092 0.000) 1.199 19.497 ( -1.191 -2.503 0.000) 2.772 19.497 ( -1.191 2.503 0.000) 2.772 22.114 ( -0.235 -1.304 0.000) 1.325 22.114 ( -0.235 1.304 0.000) 1.325 22.193 ( -1.007 -4.320 0.000) 4.436 22.193 ( -1.007 4.320 0.000) 4.436 22.422 ( 1.526 -5.044 0.000) 5.269 22.422 ( 1.526 5.044 0.000) 5.269 22.611 ( -1.851 -4.569 0.000) 4.930 22.611 ( -1.851 4.569 0.000) 4.930 24.553 ( 0.071 -0.121 0.000) 0.140 24.553 ( 0.071 0.121 0.000) 0.140 24.556 ( 0.081 -0.115 0.000) 0.141 24.556 ( 0.081 0.115 0.000) 0.141 28.074 ( 1.694 -2.736 0.000) 3.217 28.074 ( 1.694 2.736 0.000) 3.217 28.124 ( 2.499 -2.479 0.000) 3.520 28.124 ( 2.499 2.479 0.000) 3.520 28.350 ( 4.729 -3.604 0.000) 5.946 28.350 ( 4.729 3.604 0.000) 5.946 29.429 ( -11.157 -7.513 0.000) 13.450 29.429 ( -11.157 7.513 0.000) 13.450 31.482 ( 1.578 -2.210 0.000) 2.716 31.482 ( 1.578 2.210 0.000) 2.716 31.574 ( 0.499 -6.036 0.000) 6.057 31.574 ( 0.499 6.036 0.000) 6.057 31.992 ( 1.590 -0.613 0.000) 1.704 31.992 ( 1.590 0.613 0.000) 1.704 32.529 ( -9.183 -5.303 0.000) 10.605 32.529 ( -9.183 5.303 0.000) 10.605 33.231 ( 2.249 -1.368 0.000) 2.632 33.231 ( 2.249 1.368 0.000) 2.632 33.627 ( -3.619 -1.435 0.000) 3.893 33.627 ( -3.619 1.435 0.000) 3.893 36.517 ( 0.689 -0.842 0.000) 1.089 36.517 ( 0.689 0.842 0.000) 1.089 36.880 ( -5.207 -2.636 0.000) 5.836 36.880 ( -5.207 2.636 0.000) 5.836 36.991 ( -3.267 -7.015 0.000) 7.738 36.991 ( -3.267 7.015 0.000) 7.738 37.012 ( -0.881 -3.873 0.000) 3.972 37.012 ( -0.881 3.873 0.000) 3.972 37.470 ( 11.199 -14.205 0.000) 18.089 37.470 ( 11.199 14.205 0.000) 18.089 37.750 ( 3.380 -14.083 0.000) 14.483 37.750 ( 3.380 14.083 0.000) 14.483 ======================= Grid point 25 (15/48) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( 15.095 -3.207 0.000) 15.432 1.496 ( 15.095 3.207 0.000) 15.432 1.597 ( 2.939 -10.014 0.000) 10.436 1.597 ( 2.939 10.014 0.000) 10.436 1.923 ( -1.270 -9.065 0.000) 9.154 1.923 ( -1.270 9.065 0.000) 9.154 2.092 ( 1.155 -8.658 0.000) 8.735 2.092 ( 1.155 8.658 0.000) 8.735 2.320 ( -10.027 -5.197 0.000) 11.294 2.320 ( -10.027 5.197 0.000) 11.294 2.321 ( -3.716 -5.689 0.000) 6.795 2.321 ( -3.716 5.689 0.000) 6.795 2.707 ( 2.895 -6.379 0.000) 7.005 2.707 ( 2.895 6.379 0.000) 7.005 2.839 ( -2.735 -6.713 0.000) 7.249 2.839 ( -2.735 6.713 0.000) 7.249 3.015 ( 3.253 -5.841 0.000) 6.686 3.015 ( 3.253 5.841 0.000) 6.686 3.136 ( -4.753 -4.866 0.000) 6.802 3.136 ( -4.753 4.866 0.000) 6.802 3.555 ( -0.503 -2.723 0.000) 2.769 3.555 ( -0.503 2.723 0.000) 2.769 3.626 ( 0.042 -3.000 0.000) 3.000 3.626 ( 0.042 3.000 0.000) 3.000 3.782 ( 2.323 -5.152 0.000) 5.652 3.782 ( 2.323 5.152 0.000) 5.652 3.833 ( 0.808 -8.644 0.000) 8.682 3.833 ( 0.808 8.644 0.000) 8.682 3.931 ( 1.787 -8.610 0.000) 8.794 3.931 ( 1.787 8.610 0.000) 8.794 4.020 ( 1.668 -7.544 0.000) 7.726 4.020 ( 1.668 7.544 0.000) 7.726 4.083 ( 8.412 -5.210 0.000) 9.894 4.083 ( 8.412 5.210 0.000) 9.894 4.434 ( -3.525 -9.676 0.000) 10.298 4.434 ( -3.525 9.676 0.000) 10.298 4.469 ( 0.849 -6.655 0.000) 6.709 4.469 ( 0.849 6.655 0.000) 6.709 4.609 ( -3.139 -1.102 0.000) 3.327 4.609 ( -3.139 1.102 0.000) 3.327 4.737 ( -4.650 -2.729 0.000) 5.391 4.737 ( -4.650 2.729 0.000) 5.391 4.757 ( -7.794 -1.811 0.000) 8.002 4.757 ( -7.794 1.811 0.000) 8.002 4.799 ( -1.446 -4.280 0.000) 4.517 4.799 ( -1.446 4.280 0.000) 4.517 4.932 ( -4.395 -1.773 0.000) 4.739 4.932 ( -4.395 1.773 0.000) 4.739 5.111 ( 3.841 -3.253 0.000) 5.033 5.111 ( 3.841 3.253 0.000) 5.033 5.235 ( -1.563 -2.458 0.000) 2.913 5.235 ( -1.563 2.458 0.000) 2.913 5.728 ( -4.780 -5.101 0.000) 6.991 5.728 ( -4.780 5.101 0.000) 6.991 5.729 ( -5.436 -4.689 0.000) 7.179 5.729 ( -5.436 4.689 0.000) 7.179 6.037 ( -3.181 -2.272 0.000) 3.909 6.037 ( -3.181 2.272 0.000) 3.909 6.051 ( -2.682 -4.314 0.000) 5.080 6.051 ( -2.682 4.314 0.000) 5.080 6.284 ( 1.395 -2.737 0.000) 3.072 6.284 ( 1.395 2.737 0.000) 3.072 6.358 ( -1.324 -0.953 0.000) 1.631 6.358 ( -1.324 0.953 0.000) 1.631 6.756 ( 8.885 -3.289 0.000) 9.475 6.756 ( 8.885 3.289 0.000) 9.475 6.757 ( 8.897 -1.864 0.000) 9.090 6.757 ( 8.897 1.864 0.000) 9.090 6.940 ( 4.516 -3.088 0.000) 5.471 6.940 ( 4.516 3.088 0.000) 5.471 7.066 ( 0.642 -3.780 0.000) 3.834 7.066 ( 0.642 3.780 0.000) 3.834 8.169 ( 1.198 -2.074 0.000) 2.395 8.169 ( 1.198 2.074 0.000) 2.395 8.211 ( -0.927 -1.533 0.000) 1.791 8.211 ( -0.927 1.533 0.000) 1.791 8.315 ( -0.067 -1.700 0.000) 1.701 8.315 ( -0.067 1.700 0.000) 1.701 8.356 ( -1.419 -2.522 0.000) 2.894 8.356 ( -1.419 2.522 0.000) 2.894 9.136 ( 0.789 -1.337 0.000) 1.553 9.136 ( 0.789 1.337 0.000) 1.553 9.159 ( -0.382 -1.199 0.000) 1.258 9.159 ( -0.382 1.199 0.000) 1.258 9.318 ( 0.201 -2.258 0.000) 2.267 9.318 ( 0.201 2.258 0.000) 2.267 9.363 ( -1.970 -2.918 0.000) 3.520 9.363 ( -1.970 2.918 0.000) 3.520 10.009 ( 0.212 -1.483 0.000) 1.499 10.009 ( 0.212 1.483 0.000) 1.499 10.014 ( 0.641 -2.027 0.000) 2.126 10.014 ( 0.641 2.027 0.000) 2.126 10.220 ( -0.659 -1.913 0.000) 2.023 10.220 ( -0.659 1.913 0.000) 2.023 10.238 ( -0.843 -3.343 0.000) 3.447 10.238 ( -0.843 3.343 0.000) 3.447 10.980 ( 0.443 -0.661 0.000) 0.795 10.980 ( 0.443 0.661 0.000) 0.795 11.014 ( 1.670 -0.880 0.000) 1.888 11.014 ( 1.670 0.880 0.000) 1.888 11.107 ( 0.654 -1.153 0.000) 1.326 11.107 ( 0.654 1.153 0.000) 1.326 11.109 ( -1.198 -1.246 0.000) 1.729 11.109 ( -1.198 1.246 0.000) 1.729 13.651 ( 0.447 -0.361 0.000) 0.575 13.651 ( 0.447 0.361 0.000) 0.575 13.659 ( 0.285 -0.851 0.000) 0.898 13.659 ( 0.285 0.851 0.000) 0.898 14.473 ( -0.095 -1.811 0.000) 1.813 14.473 ( -0.095 1.811 0.000) 1.813 14.485 ( -0.932 -1.534 0.000) 1.795 14.485 ( -0.932 1.534 0.000) 1.795 14.642 ( -0.287 -1.057 0.000) 1.095 14.642 ( -0.287 1.057 0.000) 1.095 14.683 ( -0.423 -0.595 0.000) 0.730 14.683 ( -0.423 0.595 0.000) 0.730 14.833 ( -0.251 -2.830 0.000) 2.841 14.833 ( -0.251 2.830 0.000) 2.841 14.881 ( -1.632 -2.937 0.000) 3.360 14.881 ( -1.632 2.937 0.000) 3.360 15.248 ( -0.002 -3.415 0.000) 3.415 15.248 ( -0.002 3.415 0.000) 3.415 15.248 ( 0.108 -2.441 0.000) 2.443 15.248 ( 0.108 2.441 0.000) 2.443 15.331 ( 0.427 -1.500 0.000) 1.559 15.331 ( 0.427 1.500 0.000) 1.559 15.356 ( -0.611 -0.868 0.000) 1.061 15.356 ( -0.611 0.868 0.000) 1.061 18.062 ( 0.008 -0.404 0.000) 0.404 18.062 ( 0.008 0.404 0.000) 0.404 18.078 ( -0.461 -0.510 0.000) 0.688 18.078 ( -0.461 0.510 0.000) 0.688 19.444 ( -0.297 -1.716 0.000) 1.741 19.444 ( -0.297 1.716 0.000) 1.741 19.467 ( -1.332 -2.651 0.000) 2.967 19.467 ( -1.332 2.651 0.000) 2.967 22.115 ( 0.476 -3.601 0.000) 3.632 22.115 ( 0.476 3.601 0.000) 3.632 22.165 ( -1.484 -4.508 0.000) 4.746 22.165 ( -1.484 4.508 0.000) 4.746 22.462 ( 2.037 -4.276 0.000) 4.737 22.462 ( 2.037 4.276 0.000) 4.737 22.562 ( -2.523 -4.480 0.000) 5.142 22.562 ( -2.523 4.480 0.000) 5.142 24.555 ( 0.128 -0.096 0.000) 0.160 24.555 ( 0.128 0.096 0.000) 0.160 24.558 ( 0.046 -0.123 0.000) 0.131 24.558 ( 0.046 0.123 0.000) 0.131 28.122 ( 2.482 -4.191 0.000) 4.870 28.122 ( 2.482 4.191 0.000) 4.870 28.170 ( 1.225 -3.459 0.000) 3.670 28.170 ( 1.225 3.459 0.000) 3.670 28.507 ( 9.869 -3.531 0.000) 10.481 28.507 ( 9.869 3.531 0.000) 10.481 29.119 ( -16.268 -6.128 0.000) 17.384 29.119 ( -16.268 6.128 0.000) 17.384 31.525 ( 2.144 -3.094 0.000) 3.764 31.525 ( 2.144 3.094 0.000) 3.764 31.581 ( -0.091 -5.355 0.000) 5.356 31.581 ( -0.091 5.355 0.000) 5.356 32.046 ( 3.453 -1.476 0.000) 3.755 32.046 ( 3.453 1.476 0.000) 3.755 32.316 ( -9.341 -4.326 0.000) 10.294 32.316 ( -9.341 4.326 0.000) 10.294 33.300 ( 4.112 -1.278 0.000) 4.306 33.300 ( 4.112 1.278 0.000) 4.306 33.525 ( -5.486 -1.289 0.000) 5.635 33.525 ( -5.486 1.289 0.000) 5.635 36.549 ( 2.479 -1.104 0.000) 2.714 36.549 ( 2.479 1.104 0.000) 2.714 36.749 ( -6.293 -1.866 0.000) 6.563 36.749 ( -6.293 1.866 0.000) 6.563 36.956 ( -0.238 -7.332 0.000) 7.335 36.956 ( -0.238 7.332 0.000) 7.335 36.990 ( -1.109 -5.757 0.000) 5.863 36.990 ( -1.109 5.757 0.000) 5.863 37.688 ( 8.106 -17.495 0.000) 19.281 37.688 ( 8.106 17.495 0.000) 19.281 37.813 ( 1.769 -16.300 0.000) 16.396 37.813 ( 1.769 16.300 0.000) 16.396 ======================= Grid point 27 (16/48) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( -1.377 -6.895 0.000) 7.031 1.677 ( 1.377 -6.895 0.000) 7.031 1.677 ( -1.377 6.895 0.000) 7.031 1.677 ( 1.377 6.895 0.000) 7.031 2.016 ( -10.654 -11.242 0.000) 15.489 2.016 ( 10.654 -11.242 0.000) 15.489 2.016 ( -10.654 11.242 0.000) 15.489 2.016 ( 10.654 11.242 0.000) 15.489 2.187 ( -4.187 -3.850 0.000) 5.688 2.187 ( 4.187 -3.850 0.000) 5.688 2.187 ( -4.187 3.850 0.000) 5.688 2.187 ( 4.187 3.850 0.000) 5.688 2.772 ( -3.193 -5.147 0.000) 6.057 2.772 ( 3.193 -5.147 0.000) 6.057 2.772 ( -3.193 5.147 0.000) 6.057 2.772 ( 3.193 5.147 0.000) 6.057 3.070 ( -1.748 -4.250 0.000) 4.595 3.070 ( 1.748 -4.250 0.000) 4.595 3.070 ( -1.748 4.250 0.000) 4.595 3.070 ( 1.748 4.250 0.000) 4.595 3.605 ( -3.102 -3.735 0.000) 4.855 3.605 ( 3.102 -3.735 0.000) 4.855 3.605 ( -3.102 3.735 0.000) 4.855 3.605 ( 3.102 3.735 0.000) 4.855 3.801 ( -0.840 -7.788 0.000) 7.833 3.801 ( 0.840 -7.788 0.000) 7.834 3.801 ( -0.840 7.788 0.000) 7.834 3.801 ( 0.840 7.788 0.000) 7.834 4.055 ( -2.256 -7.995 0.000) 8.307 4.055 ( 2.256 -7.995 0.000) 8.307 4.055 ( -2.256 7.995 0.000) 8.307 4.055 ( 2.256 7.995 0.000) 8.307 4.268 ( -9.892 -9.049 0.000) 13.407 4.268 ( 9.892 -9.049 0.000) 13.407 4.268 ( -9.892 9.049 0.000) 13.407 4.268 ( 9.892 9.049 0.000) 13.407 4.481 ( -2.334 -4.360 0.000) 4.946 4.481 ( 2.334 -4.360 0.000) 4.946 4.481 ( -2.334 4.360 0.000) 4.946 4.481 ( 2.334 4.360 0.000) 4.946 4.709 ( -1.220 -0.907 0.000) 1.521 4.709 ( 1.220 -0.907 0.000) 1.521 4.709 ( -1.220 0.907 0.000) 1.521 4.709 ( 1.220 0.907 0.000) 1.521 4.831 ( -4.097 -4.248 0.000) 5.902 4.831 ( 4.097 -4.248 0.000) 5.902 4.831 ( -4.097 4.248 0.000) 5.902 4.831 ( 4.097 4.248 0.000) 5.902 5.183 ( -2.771 -3.636 0.000) 4.572 5.183 ( 2.771 -3.636 0.000) 4.572 5.183 ( -2.771 3.636 0.000) 4.572 5.183 ( 2.771 3.636 0.000) 4.572 5.668 ( -0.239 -4.442 0.000) 4.449 5.668 ( 0.239 -4.442 0.000) 4.449 5.668 ( -0.239 4.442 0.000) 4.449 5.668 ( 0.239 4.442 0.000) 4.449 6.010 ( -0.624 -2.092 0.000) 2.183 6.010 ( 0.624 -2.092 0.000) 2.183 6.010 ( -0.624 2.092 0.000) 2.183 6.010 ( 0.624 2.092 0.000) 2.183 6.321 ( -1.879 -1.579 0.000) 2.454 6.321 ( 1.879 -1.579 0.000) 2.454 6.321 ( -1.879 1.579 0.000) 2.454 6.321 ( 1.879 1.579 0.000) 2.454 6.866 ( -0.088 -2.911 0.000) 2.912 6.866 ( 0.088 -2.911 0.000) 2.912 6.866 ( -0.088 2.911 0.000) 2.912 6.866 ( 0.088 2.911 0.000) 2.912 7.026 ( -3.523 -2.502 0.000) 4.320 7.026 ( 3.523 -2.502 0.000) 4.320 7.026 ( -3.523 2.502 0.000) 4.320 7.026 ( 3.523 2.502 0.000) 4.320 8.191 ( -0.912 -1.893 0.000) 2.101 8.191 ( 0.912 -1.893 0.000) 2.101 8.191 ( -0.912 1.893 0.000) 2.101 8.191 ( 0.912 1.893 0.000) 2.101 8.327 ( -1.084 -2.391 0.000) 2.625 8.327 ( 1.084 -2.391 0.000) 2.625 8.327 ( -1.084 2.391 0.000) 2.625 8.327 ( 1.084 2.391 0.000) 2.625 9.150 ( -0.499 -1.024 0.000) 1.139 9.150 ( 0.499 -1.024 0.000) 1.139 9.150 ( -0.499 1.024 0.000) 1.139 9.150 ( 0.499 1.024 0.000) 1.139 9.328 ( -1.053 -2.745 0.000) 2.940 9.328 ( 1.053 -2.745 0.000) 2.940 9.328 ( -1.053 2.745 0.000) 2.940 9.328 ( 1.053 2.745 0.000) 2.940 10.016 ( -0.328 -1.639 0.000) 1.671 10.016 ( 0.328 -1.639 0.000) 1.671 10.016 ( -0.328 1.639 0.000) 1.671 10.016 ( 0.328 1.639 0.000) 1.671 10.221 ( -0.578 -3.146 0.000) 3.199 10.221 ( 0.578 -3.146 0.000) 3.199 10.221 ( -0.578 3.146 0.000) 3.199 10.221 ( 0.578 3.146 0.000) 3.199 11.005 ( -1.619 -0.764 0.000) 1.790 11.005 ( -1.619 0.764 0.000) 1.790 11.005 ( 1.619 -0.764 0.000) 1.790 11.005 ( 1.619 0.764 0.000) 1.790 11.111 ( -0.506 -0.592 0.000) 0.779 11.111 ( 0.506 -0.592 0.000) 0.779 11.111 ( -0.506 0.592 0.000) 0.779 11.111 ( 0.506 0.592 0.000) 0.779 13.659 ( -0.254 -0.580 0.000) 0.633 13.659 ( 0.254 -0.580 0.000) 0.633 13.659 ( -0.254 0.580 0.000) 0.633 13.659 ( 0.254 0.580 0.000) 0.633 14.473 ( -0.200 -1.676 0.000) 1.687 14.473 ( 0.200 -1.676 0.000) 1.687 14.473 ( -0.200 1.676 0.000) 1.687 14.473 ( 0.200 1.676 0.000) 1.687 14.659 ( -1.408 -0.368 0.000) 1.456 14.659 ( -1.408 0.368 0.000) 1.456 14.659 ( 1.408 -0.368 0.000) 1.456 14.659 ( 1.408 0.368 0.000) 1.456 14.846 ( -1.372 -2.779 0.000) 3.100 14.846 ( 1.372 -2.779 0.000) 3.100 14.846 ( -1.372 2.779 0.000) 3.100 14.846 ( 1.372 2.779 0.000) 3.100 15.249 ( -0.035 -3.020 0.000) 3.020 15.249 ( 0.035 -3.020 0.000) 3.020 15.249 ( -0.035 3.020 0.000) 3.020 15.249 ( 0.035 3.020 0.000) 3.020 15.342 ( -0.604 -0.658 0.000) 0.894 15.342 ( 0.604 -0.658 0.000) 0.894 15.342 ( -0.604 0.658 0.000) 0.894 15.342 ( 0.604 0.658 0.000) 0.894 18.067 ( -0.446 -0.544 0.000) 0.704 18.067 ( 0.446 -0.544 0.000) 0.704 18.067 ( -0.446 0.544 0.000) 0.704 18.067 ( 0.446 0.544 0.000) 0.704 19.446 ( -0.570 -2.360 0.000) 2.428 19.446 ( 0.570 -2.360 0.000) 2.428 19.446 ( -0.570 2.360 0.000) 2.428 19.446 ( 0.570 2.360 0.000) 2.428 22.135 ( -1.247 -4.505 0.000) 4.675 22.135 ( 1.247 -4.505 0.000) 4.675 22.135 ( -1.247 4.505 0.000) 4.675 22.135 ( 1.247 4.505 0.000) 4.675 22.509 ( -2.320 -4.262 0.000) 4.852 22.509 ( 2.320 -4.262 0.000) 4.852 22.509 ( -2.320 4.262 0.000) 4.852 22.509 ( 2.320 4.262 0.000) 4.852 24.558 ( -0.071 -0.105 0.000) 0.127 24.558 ( 0.071 -0.105 0.000) 0.127 24.558 ( -0.071 0.105 0.000) 0.127 24.558 ( 0.071 0.105 0.000) 0.127 28.167 ( -1.351 -4.078 0.000) 4.296 28.167 ( 1.351 -4.078 0.000) 4.296 28.167 ( -1.351 4.078 0.000) 4.296 28.167 ( 1.351 4.078 0.000) 4.296 28.775 ( -14.697 -4.940 0.000) 15.505 28.775 ( -14.697 4.940 0.000) 15.505 28.775 ( 14.697 -4.940 0.000) 15.505 28.775 ( 14.697 4.940 0.000) 15.506 31.565 ( -1.382 -4.229 0.000) 4.449 31.565 ( 1.382 -4.229 0.000) 4.449 31.565 ( -1.382 4.229 0.000) 4.449 31.565 ( 1.382 4.229 0.000) 4.449 32.148 ( -6.142 -2.882 0.000) 6.784 32.148 ( -6.142 2.882 0.000) 6.784 32.148 ( 6.142 -2.882 0.000) 6.784 32.148 ( 6.142 2.882 0.000) 6.784 33.404 ( -5.375 -1.255 0.000) 5.519 33.404 ( -5.375 1.255 0.000) 5.519 33.404 ( 5.375 -1.255 0.000) 5.519 33.404 ( 5.375 1.255 0.000) 5.519 36.627 ( -4.738 -1.452 0.000) 4.956 36.627 ( -4.738 1.452 0.000) 4.956 36.627 ( 4.738 -1.452 0.000) 4.956 36.627 ( 4.738 1.452 0.000) 4.956 36.967 ( -0.970 -6.884 0.000) 6.952 36.967 ( 0.970 -6.884 0.000) 6.952 36.967 ( -0.970 6.884 0.000) 6.952 36.967 ( 0.970 6.884 0.000) 6.952 37.806 ( -2.749 -17.757 0.000) 17.968 37.806 ( 2.749 -17.757 0.000) 17.968 37.806 ( -2.749 17.757 0.000) 17.968 37.806 ( 2.749 17.757 0.000) 17.968 ======================= Grid point 49 (17/48) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.466 ( 0.000 0.000 23.912) 23.912 0.531 ( 0.000 0.000 27.500) 27.500 0.943 ( 0.000 0.000 45.369) 45.369 1.191 ( 0.000 0.000 -12.226) 12.226 1.483 ( 0.000 0.000 10.144) 10.144 1.487 ( 0.000 0.000 -13.957) 13.957 1.743 ( 0.000 0.000 -3.428) 3.428 1.824 ( 0.000 0.000 23.139) 23.139 2.089 ( 0.000 0.000 16.934) 16.934 2.424 ( 0.000 0.000 5.296) 5.296 2.482 ( 0.000 0.000 -25.739) 25.739 2.502 ( 0.000 0.000 -2.624) 2.624 2.541 ( 0.000 0.000 5.503) 5.503 2.599 ( 0.000 0.000 -1.518) 1.518 2.708 ( 0.000 0.000 14.676) 14.676 2.760 ( 0.000 0.000 -12.713) 12.713 2.792 ( 0.000 0.000 -6.796) 6.796 2.879 ( 0.000 0.000 -16.873) 16.873 2.915 ( 0.000 0.000 -8.862) 8.862 3.074 ( 0.000 0.000 1.438) 1.438 3.096 ( 0.000 0.000 0.792) 0.792 3.129 ( 0.000 0.000 1.383) 1.383 3.151 ( 0.000 0.000 1.774) 1.774 3.253 ( 0.000 0.000 1.815) 1.815 3.263 ( 0.000 0.000 6.922) 6.922 3.471 ( 0.000 0.000 -1.052) 1.052 3.574 ( 0.000 0.000 -12.565) 12.565 3.716 ( 0.000 0.000 1.154) 1.154 3.761 ( 0.000 0.000 -1.297) 1.297 3.866 ( 0.000 0.000 -0.292) 0.292 3.888 ( 0.000 0.000 -17.515) 17.515 3.919 ( 0.000 0.000 -2.306) 2.306 4.190 ( 0.000 0.000 0.251) 0.251 4.223 ( 0.000 0.000 -1.106) 1.106 4.315 ( 0.000 0.000 1.007) 1.007 4.370 ( 0.000 0.000 6.174) 6.174 4.379 ( 0.000 0.000 -1.000) 1.000 4.503 ( 0.000 0.000 -2.825) 2.825 4.636 ( 0.000 0.000 0.912) 0.912 4.669 ( 0.000 0.000 3.877) 3.877 4.704 ( 0.000 0.000 -3.506) 3.506 4.738 ( 0.000 0.000 1.795) 1.795 4.802 ( 0.000 0.000 1.018) 1.018 4.844 ( 0.000 0.000 -3.266) 3.266 4.903 ( 0.000 0.000 -3.054) 3.054 4.910 ( 0.000 0.000 -1.751) 1.751 5.090 ( 0.000 0.000 2.320) 2.320 5.092 ( 0.000 0.000 7.549) 7.549 5.134 ( 0.000 0.000 9.141) 9.141 5.139 ( 0.000 0.000 5.346) 5.346 5.228 ( 0.000 0.000 3.413) 3.413 5.266 ( 0.000 0.000 0.749) 0.749 5.507 ( 0.000 0.000 4.298) 4.298 5.705 ( 0.000 0.000 -1.652) 1.652 5.805 ( 0.000 0.000 5.236) 5.236 5.937 ( 0.000 0.000 -0.814) 0.814 6.013 ( 0.000 0.000 1.315) 1.315 6.047 ( 0.000 0.000 -2.912) 2.912 6.107 ( 0.000 0.000 2.089) 2.089 6.204 ( 0.000 0.000 -7.164) 7.164 6.226 ( 0.000 0.000 6.111) 6.111 6.231 ( 0.000 0.000 -10.696) 10.696 6.281 ( 0.000 0.000 -3.792) 3.792 6.374 ( 0.000 0.000 0.041) 0.041 6.378 ( 0.000 0.000 -0.208) 0.208 6.468 ( 0.000 0.000 -2.676) 2.676 6.608 ( 0.000 0.000 2.900) 2.900 6.611 ( 0.000 0.000 2.488) 2.488 6.799 ( 0.000 0.000 -0.720) 0.720 6.824 ( 0.000 0.000 -1.653) 1.653 7.215 ( 0.000 0.000 4.352) 4.352 7.414 ( 0.000 0.000 -4.115) 4.115 8.141 ( 0.000 0.000 1.098) 1.098 8.175 ( 0.000 0.000 2.778) 2.778 8.185 ( 0.000 0.000 -0.668) 0.668 8.291 ( 0.000 0.000 -2.267) 2.267 8.673 ( 0.000 0.000 2.185) 2.185 8.773 ( 0.000 0.000 -2.289) 2.289 8.794 ( 0.000 0.000 0.662) 0.662 8.818 ( 0.000 0.000 -0.125) 0.125 8.928 ( 0.000 0.000 1.756) 1.756 9.028 ( 0.000 0.000 -2.559) 2.559 9.157 ( 0.000 0.000 1.117) 1.117 9.190 ( 0.000 0.000 -0.434) 0.434 9.397 ( 0.000 0.000 0.132) 0.132 9.402 ( 0.000 0.000 -0.080) 0.080 9.681 ( 0.000 0.000 1.059) 1.059 9.726 ( 0.000 0.000 -0.851) 0.851 9.856 ( 0.000 0.000 0.256) 0.256 9.872 ( 0.000 0.000 -0.500) 0.500 9.975 ( 0.000 0.000 2.050) 2.050 10.059 ( 0.000 0.000 -1.564) 1.564 10.601 ( 0.000 0.000 0.777) 0.777 10.631 ( 0.000 0.000 -0.494) 0.494 10.754 ( 0.000 0.000 0.353) 0.353 10.775 ( 0.000 0.000 -0.569) 0.569 10.866 ( 0.000 0.000 0.043) 0.043 10.883 ( 0.000 0.000 -0.677) 0.677 10.954 ( 0.000 0.000 0.315) 0.315 10.956 ( 0.000 0.000 0.216) 0.216 10.990 ( 0.000 0.000 1.734) 1.734 11.103 ( 0.000 0.000 -3.641) 3.641 11.217 ( 0.000 0.000 1.981) 1.981 11.250 ( 0.000 0.000 -0.074) 0.074 13.424 ( 0.000 0.000 0.353) 0.353 13.462 ( 0.000 0.000 -1.200) 1.200 13.537 ( 0.000 0.000 0.711) 0.711 13.557 ( 0.000 0.000 -0.182) 0.182 14.387 ( 0.000 0.000 0.404) 0.404 14.416 ( 0.000 0.000 -0.975) 0.975 14.527 ( 0.000 0.000 1.904) 1.904 14.587 ( 0.000 0.000 -0.351) 0.351 14.590 ( 0.000 0.000 -0.278) 0.278 14.614 ( 0.000 0.000 -2.218) 2.218 14.618 ( 0.000 0.000 0.312) 0.312 14.619 ( 0.000 0.000 0.480) 0.480 14.801 ( 0.000 0.000 3.644) 3.644 14.976 ( 0.000 0.000 -0.043) 0.043 14.987 ( 0.000 0.000 -5.630) 5.630 14.988 ( 0.000 0.000 -0.434) 0.434 15.150 ( 0.000 0.000 1.636) 1.636 15.174 ( 0.000 0.000 3.492) 3.492 15.213 ( 0.000 0.000 -1.080) 1.080 15.220 ( 0.000 0.000 -0.003) 0.003 15.283 ( 0.000 0.000 -0.834) 0.834 15.286 ( 0.000 0.000 -0.258) 0.258 15.340 ( 0.000 0.000 1.191) 1.191 15.381 ( 0.000 0.000 -0.769) 0.769 18.065 ( 0.000 0.000 0.257) 0.257 18.078 ( 0.000 0.000 -0.161) 0.161 18.109 ( 0.000 0.000 -0.011) 0.011 18.112 ( 0.000 0.000 -0.019) 0.019 19.418 ( 0.000 0.000 0.729) 0.729 19.461 ( 0.000 0.000 -1.169) 1.169 19.608 ( 0.000 0.000 0.943) 0.943 19.640 ( 0.000 0.000 -0.496) 0.496 21.710 ( 0.000 0.000 2.781) 2.781 21.862 ( 0.000 0.000 -3.684) 3.684 22.074 ( 0.000 0.000 1.068) 1.068 22.124 ( 0.000 0.000 -1.014) 1.014 22.579 ( 0.000 0.000 1.015) 1.015 22.630 ( 0.000 0.000 -1.079) 1.079 22.656 ( 0.000 0.000 3.281) 3.281 22.789 ( 0.000 0.000 -2.387) 2.387 24.534 ( 0.000 0.000 0.065) 0.065 24.538 ( 0.000 0.000 -0.155) 0.155 24.544 ( 0.000 0.000 0.154) 0.154 24.549 ( 0.000 0.000 -0.089) 0.089 27.936 ( 0.000 0.000 1.354) 1.354 28.028 ( 0.000 0.000 -2.869) 2.869 28.150 ( 0.000 0.000 3.602) 3.602 28.364 ( 0.000 0.000 -6.394) 6.394 28.484 ( 0.000 0.000 5.653) 5.653 28.636 ( 0.000 0.000 4.548) 4.548 28.708 ( 0.000 0.000 -4.098) 4.098 28.762 ( 0.000 0.000 -1.773) 1.773 31.379 ( 0.000 0.000 2.376) 2.376 31.493 ( 0.000 0.000 -2.371) 2.371 31.655 ( 0.000 0.000 0.827) 0.827 31.711 ( 0.000 0.000 -2.024) 2.024 31.814 ( 0.000 0.000 3.350) 3.350 31.936 ( 0.000 0.000 -2.281) 2.281 32.052 ( 0.000 0.000 2.498) 2.498 32.195 ( 0.000 0.000 -3.577) 3.577 33.373 ( 0.000 0.000 2.653) 2.653 33.472 ( 0.000 0.000 -1.636) 1.636 33.620 ( 0.000 0.000 1.629) 1.629 33.698 ( 0.000 0.000 -1.563) 1.563 36.497 ( 0.000 0.000 1.144) 1.144 36.600 ( 0.000 0.000 -4.556) 4.556 36.702 ( 0.000 0.000 4.913) 4.913 36.790 ( 0.000 0.000 0.349) 0.349 36.834 ( 0.000 0.000 -0.043) 0.043 36.845 ( 0.000 0.000 7.485) 7.485 37.064 ( 0.000 0.000 -11.081) 11.081 37.085 ( 0.000 0.000 -3.942) 3.942 37.497 ( 0.000 0.000 9.240) 9.240 37.741 ( 0.000 0.000 -3.295) 3.295 38.301 ( 0.000 0.000 1.093) 1.093 38.356 ( 0.000 0.000 -1.183) 1.183 ======================= Grid point 50 (18/48) ======================= q-point: ( 0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.596 ( 10.479 0.000 16.961) 19.937 0.919 ( 22.909 0.000 19.028) 29.781 1.195 ( 21.775 0.000 30.550) 37.517 1.199 ( 0.292 0.000 -10.934) 10.938 1.508 ( 1.693 0.000 8.853) 9.014 1.613 ( 11.202 0.000 -9.408) 14.629 1.681 ( -4.275 0.000 4.305) 6.067 1.930 ( 7.505 0.000 14.088) 15.963 2.155 ( 4.865 0.000 13.366) 14.224 2.318 ( -9.726 0.000 3.944) 10.496 2.449 ( -4.758 0.000 -1.152) 4.895 2.482 ( -4.495 0.000 4.151) 6.118 2.519 ( 1.071 0.000 -15.942) 15.978 2.547 ( -4.016 0.000 -0.461) 4.042 2.598 ( -5.502 0.000 4.031) 6.821 2.689 ( -9.596 0.000 -8.853) 13.056 2.768 ( 0.100 0.000 -7.586) 7.586 2.882 ( 3.127 0.000 -5.713) 6.513 2.965 ( 0.324 0.000 1.113) 1.159 3.065 ( 0.390 0.000 -0.621) 0.734 3.098 ( -4.201 0.000 -9.903) 10.757 3.139 ( 3.415 0.000 -5.821) 6.749 3.140 ( 1.165 0.000 0.024) 1.165 3.249 ( 3.089 0.000 10.314) 10.766 3.273 ( 1.545 0.000 -2.431) 2.880 3.485 ( -1.084 0.000 -5.573) 5.678 3.568 ( 0.706 0.000 -8.318) 8.348 3.691 ( -1.441 0.000 2.050) 2.506 3.815 ( 0.904 0.000 -1.835) 2.045 3.862 ( -2.927 0.000 -16.415) 16.674 3.919 ( 3.248 0.000 3.409) 4.709 4.053 ( 13.369 0.000 -1.336) 13.435 4.169 ( -4.101 0.000 6.053) 7.312 4.171 ( -4.606 0.000 -0.004) 4.606 4.199 ( 0.099 0.000 -0.281) 0.297 4.357 ( -1.565 0.000 6.617) 6.800 4.401 ( -1.299 0.000 -7.105) 7.222 4.524 ( 0.627 0.000 -3.198) 3.259 4.549 ( -10.394 0.000 5.276) 11.656 4.590 ( -9.818 0.000 0.462) 9.829 4.673 ( -4.119 0.000 -0.920) 4.221 4.690 ( 0.669 0.000 -1.496) 1.639 4.721 ( -7.055 0.000 0.026) 7.055 4.749 ( -4.905 0.000 -2.267) 5.403 4.813 ( -5.673 0.000 -1.790) 5.948 4.817 ( -3.523 0.000 -6.216) 7.145 5.014 ( -6.263 0.000 7.459) 9.739 5.073 ( -1.716 0.000 5.064) 5.347 5.095 ( -6.671 0.000 7.226) 9.835 5.141 ( 3.978 0.000 6.661) 7.758 5.220 ( -2.824 0.000 -0.672) 2.903 5.311 ( 5.406 0.000 1.294) 5.558 5.501 ( -0.383 0.000 4.584) 4.600 5.665 ( -2.865 0.000 -1.625) 3.294 5.811 ( 0.508 0.000 4.802) 4.828 6.011 ( 2.637 0.000 -4.063) 4.843 6.015 ( -3.206 0.000 -1.150) 3.406 6.031 ( -2.553 0.000 2.378) 3.489 6.052 ( -10.098 0.000 3.540) 10.700 6.170 ( -9.873 0.000 2.833) 10.271 6.220 ( 3.105 0.000 -2.008) 3.698 6.259 ( 9.604 0.000 -1.733) 9.759 6.282 ( 0.027 0.000 -7.041) 7.041 6.319 ( 10.652 0.000 -2.087) 10.854 6.486 ( -6.095 0.000 4.528) 7.593 6.511 ( 10.266 0.000 0.538) 10.280 6.543 ( 11.337 0.000 -0.931) 11.375 6.605 ( -4.500 0.000 -0.132) 4.502 6.832 ( 4.256 0.000 3.882) 5.761 6.920 ( 6.942 0.000 -1.693) 7.146 7.155 ( 5.236 0.000 12.482) 13.536 7.716 ( 0.191 0.000 -15.698) 15.699 8.139 ( -0.184 0.000 1.086) 1.102 8.157 ( -0.931 0.000 1.526) 1.787 8.203 ( 0.921 0.000 0.361) 0.990 8.282 ( -0.768 0.000 -1.987) 2.130 8.661 ( 0.188 0.000 1.022) 1.039 8.749 ( -1.409 0.000 -1.776) 2.267 8.792 ( -0.401 0.000 0.421) 0.582 8.825 ( -0.697 0.000 -0.414) 0.811 8.932 ( 0.433 0.000 1.721) 1.775 9.029 ( 0.078 0.000 -2.441) 2.442 9.143 ( -1.321 0.000 0.787) 1.538 9.163 ( -2.471 0.000 -0.201) 2.479 9.426 ( 2.060 0.000 0.252) 2.076 9.471 ( 4.216 0.000 -3.188) 5.286 9.662 ( -2.105 0.000 1.186) 2.416 9.683 ( -1.928 0.000 0.525) 1.998 9.846 ( -0.856 0.000 0.079) 0.859 9.855 ( -1.478 0.000 -0.303) 1.509 9.979 ( 0.426 0.000 1.677) 1.730 10.048 ( -0.931 0.000 -1.228) 1.540 10.635 ( 1.670 0.000 0.080) 1.672 10.672 ( 2.473 0.000 -1.146) 2.726 10.746 ( -0.566 0.000 1.546) 1.647 10.789 ( 1.505 0.000 -0.791) 1.700 10.874 ( 0.759 0.000 0.164) 0.777 10.896 ( 1.153 0.000 -0.778) 1.392 10.952 ( -0.239 0.000 0.363) 0.435 10.960 ( 0.365 0.000 0.053) 0.368 11.030 ( 3.606 0.000 1.701) 3.987 11.135 ( 2.824 0.000 -1.977) 3.447 11.192 ( 0.746 0.000 1.951) 2.089 11.276 ( 0.433 0.000 -1.590) 1.648 13.427 ( 0.199 0.000 0.371) 0.421 13.459 ( -0.301 0.000 -0.833) 0.886 13.535 ( -0.096 0.000 0.469) 0.478 13.554 ( -0.325 0.000 -0.215) 0.390 14.387 ( 0.112 0.000 0.327) 0.345 14.413 ( -0.307 0.000 -0.712) 0.776 14.538 ( 0.784 0.000 1.182) 1.418 14.587 ( -0.016 0.000 -0.208) 0.209 14.593 ( 0.286 0.000 -0.330) 0.437 14.606 ( -0.587 0.000 -1.219) 1.353 14.611 ( -0.497 0.000 0.513) 0.714 14.617 ( -0.263 0.000 0.160) 0.308 14.773 ( -1.618 0.000 4.373) 4.663 14.885 ( -4.894 0.000 5.640) 7.467 14.977 ( 0.117 0.000 -0.059) 0.131 14.987 ( -0.087 0.000 -0.347) 0.358 15.065 ( -1.940 0.000 -1.047) 2.205 15.152 ( 0.173 0.000 1.372) 1.383 15.205 ( -0.692 0.000 -0.909) 1.142 15.236 ( 0.551 0.000 0.989) 1.132 15.257 ( -1.822 0.000 -5.286) 5.591 15.297 ( -1.672 0.000 -2.660) 3.142 15.356 ( 0.378 0.000 0.088) 0.388 15.391 ( -0.836 0.000 -1.406) 1.636 18.082 ( 0.961 0.000 0.508) 1.087 18.089 ( 0.614 0.000 0.199) 0.646 18.116 ( 0.354 0.000 0.285) 0.454 18.122 ( 0.489 0.000 0.438) 0.656 19.411 ( -0.289 0.000 0.616) 0.680 19.457 ( -0.556 0.000 -0.947) 1.098 19.583 ( -0.223 0.000 2.949) 2.958 19.676 ( 0.368 0.000 -1.984) 2.017 21.723 ( 1.168 0.000 2.436) 2.701 21.855 ( -0.651 0.000 -3.152) 3.218 22.117 ( 3.459 0.000 1.716) 3.861 22.243 ( 5.322 0.000 -5.603) 7.727 22.540 ( -3.623 0.000 1.287) 3.845 22.563 ( -3.075 0.000 0.736) 3.162 22.658 ( 0.191 0.000 2.784) 2.791 22.772 ( -1.463 0.000 -2.074) 2.538 24.534 ( 0.066 0.000 0.061) 0.090 24.539 ( 0.032 0.000 -0.140) 0.144 24.544 ( 0.038 0.000 0.134) 0.139 24.549 ( -0.027 0.000 -0.073) 0.078 27.978 ( 3.788 0.000 1.127) 3.952 28.055 ( 2.457 0.000 -2.445) 3.466 28.166 ( 1.501 0.000 4.059) 4.328 28.256 ( -0.855 0.000 7.431) 7.480 28.449 ( -3.120 0.000 4.947) 5.848 28.566 ( -1.143 0.000 1.772) 2.108 28.646 ( -5.572 0.000 -3.599) 6.634 28.916 ( 1.021 0.000 -12.432) 12.473 31.394 ( 1.373 0.000 2.392) 2.758 31.503 ( 0.477 0.000 -1.540) 1.612 31.669 ( 1.207 0.000 0.749) 1.420 31.718 ( 0.621 0.000 -1.732) 1.840 31.807 ( -4.401 0.000 13.609) 14.303 31.808 ( -0.483 0.000 2.905) 2.945 31.916 ( -1.747 0.000 -2.040) 2.686 32.320 ( -3.176 0.000 -14.213) 14.563 33.394 ( 1.972 0.000 2.067) 2.857 33.456 ( 0.806 0.000 -0.183) 0.826 33.657 ( -0.088 0.000 -0.446) 0.454 33.692 ( -0.775 0.000 -1.159) 1.394 36.516 ( 1.705 0.000 1.277) 2.131 36.621 ( 1.633 0.000 -4.411) 4.703 36.683 ( -1.278 0.000 4.407) 4.588 36.808 ( 1.211 0.000 -0.319) 1.252 36.838 ( 0.289 0.000 0.026) 0.290 36.844 ( 0.108 0.000 6.898) 6.899 37.005 ( -5.186 0.000 -8.594) 10.037 37.065 ( -1.801 0.000 -3.647) 4.067 37.421 ( -6.377 0.000 6.432) 9.057 37.436 ( -7.633 0.000 6.427) 9.978 38.450 ( 6.925 0.000 0.701) 6.961 38.580 ( 8.202 0.000 -7.261) 10.954 ======================= Grid point 51 (19/48) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( 12.384 0.000 7.766) 14.617 1.180 ( -2.321 0.000 -6.090) 6.517 1.364 ( 18.760 0.000 20.025) 27.440 1.501 ( -3.844 0.000 5.330) 6.572 1.563 ( -6.689 0.000 4.264) 7.932 1.629 ( 12.576 0.000 9.567) 15.802 1.914 ( 14.283 0.000 -0.383) 14.288 2.015 ( -1.500 0.000 2.471) 2.890 2.182 ( -3.982 0.000 5.231) 6.574 2.193 ( 2.006 0.000 4.909) 5.303 2.327 ( -4.067 0.000 0.742) 4.134 2.351 ( -4.834 0.000 5.471) 7.300 2.461 ( -7.181 0.000 0.277) 7.187 2.475 ( -3.185 0.000 4.167) 5.245 2.484 ( -3.860 0.000 -1.421) 4.114 2.604 ( 3.865 0.000 -10.519) 11.207 2.774 ( -0.568 0.000 -3.898) 3.939 2.815 ( -9.888 0.000 11.596) 15.239 2.948 ( -1.922 0.000 -2.123) 2.864 3.094 ( 2.149 0.000 2.319) 3.161 3.094 ( 6.861 0.000 -16.267) 17.655 3.243 ( 4.391 0.000 -7.233) 8.461 3.247 ( 4.663 0.000 -8.755) 9.919 3.352 ( 5.870 0.000 -9.661) 11.304 3.354 ( 7.548 0.000 6.528) 9.979 3.442 ( 2.883 0.000 2.397) 3.750 3.659 ( 3.031 0.000 -6.883) 7.521 3.703 ( 3.848 0.000 -2.218) 4.441 3.778 ( -3.554 0.000 -11.986) 12.501 3.792 ( -1.003 0.000 -3.024) 3.186 3.950 ( -3.634 0.000 7.314) 8.167 3.969 ( -13.698 0.000 1.367) 13.766 4.105 ( -10.803 0.000 -1.790) 10.950 4.106 ( -5.587 0.000 2.826) 6.262 4.257 ( -1.740 0.000 -1.139) 2.080 4.320 ( 0.307 0.000 2.668) 2.686 4.363 ( -1.814 0.000 -5.956) 6.226 4.389 ( 3.351 0.000 5.682) 6.597 4.417 ( -3.785 0.000 0.284) 3.796 4.481 ( -4.057 0.000 -2.544) 4.788 4.553 ( -1.464 0.000 -3.575) 3.863 4.635 ( -1.125 0.000 -0.581) 1.266 4.702 ( 0.175 0.000 3.068) 3.073 4.720 ( 1.880 0.000 -2.391) 3.041 4.745 ( -0.353 0.000 2.800) 2.822 4.789 ( -0.898 0.000 -6.054) 6.120 4.936 ( -1.189 0.000 4.234) 4.397 4.939 ( -5.640 0.000 6.628) 8.703 5.020 ( -3.149 0.000 2.455) 3.993 5.134 ( -3.741 0.000 -0.618) 3.792 5.240 ( 3.481 0.000 3.334) 4.820 5.350 ( -2.770 0.000 2.410) 3.672 5.514 ( 2.650 0.000 4.131) 4.908 5.633 ( 1.055 0.000 -2.298) 2.529 5.829 ( 1.276 0.000 4.597) 4.771 5.833 ( -9.918 0.000 0.183) 9.920 5.880 ( -8.505 0.000 -0.224) 8.508 5.948 ( -3.915 0.000 3.203) 5.058 6.066 ( 2.472 0.000 -5.280) 5.830 6.100 ( 2.660 0.000 3.524) 4.415 6.182 ( -2.553 0.000 -5.245) 5.833 6.311 ( 0.388 0.000 -3.957) 3.976 6.357 ( -4.295 0.000 1.663) 4.606 6.493 ( -5.116 0.000 -1.221) 5.260 6.551 ( 11.383 0.000 0.863) 11.415 6.576 ( 10.121 0.000 0.101) 10.122 6.736 ( 8.953 0.000 0.556) 8.970 6.769 ( 8.084 0.000 -0.817) 8.125 6.966 ( 7.972 0.000 3.283) 8.622 7.064 ( 5.950 0.000 -1.720) 6.194 7.233 ( 0.994 0.000 7.144) 7.213 7.537 ( -12.982 0.000 -5.600) 14.138 8.134 ( -0.165 0.000 1.071) 1.084 8.140 ( -0.540 0.000 1.231) 1.344 8.221 ( 0.755 0.000 0.044) 0.757 8.261 ( -1.142 0.000 -1.289) 1.722 8.681 ( 1.306 0.000 0.082) 1.309 8.727 ( -0.626 0.000 -0.798) 1.014 8.775 ( -0.920 0.000 -0.261) 0.957 8.796 ( -1.553 0.000 -0.331) 1.588 8.953 ( 1.623 0.000 1.485) 2.200 9.034 ( 0.497 0.000 -2.016) 2.077 9.091 ( -3.751 0.000 0.446) 3.778 9.104 ( -2.137 0.000 -0.099) 2.139 9.482 ( 2.921 0.000 0.808) 3.030 9.547 ( 2.940 0.000 -2.315) 3.742 9.606 ( -2.682 0.000 1.216) 2.944 9.648 ( -1.769 0.000 -0.659) 1.888 9.821 ( -1.300 0.000 -0.107) 1.304 9.823 ( -1.096 0.000 -0.199) 1.114 9.991 ( 0.588 0.000 0.954) 1.120 10.025 ( -1.071 0.000 -0.472) 1.171 10.661 ( 0.853 0.000 0.876) 1.223 10.689 ( -0.507 0.000 0.411) 0.652 10.770 ( 2.382 0.000 1.045) 2.601 10.817 ( 0.695 0.000 -0.537) 0.878 10.896 ( 1.199 0.000 0.340) 1.246 10.925 ( 1.177 0.000 -0.852) 1.453 10.944 ( -0.372 0.000 0.514) 0.635 10.965 ( -0.025 0.000 -0.366) 0.366 11.131 ( 5.103 0.000 1.151) 5.231 11.204 ( 2.980 0.000 -1.090) 3.173 11.229 ( 1.776 0.000 -0.446) 1.831 11.270 ( -0.979 0.000 -1.132) 1.497 13.433 ( 0.359 0.000 0.404) 0.540 13.451 ( -0.416 0.000 -0.128) 0.435 13.534 ( 0.015 0.000 0.010) 0.018 13.545 ( -0.428 0.000 -0.281) 0.512 14.392 ( 0.263 0.000 0.295) 0.395 14.405 ( -0.380 0.000 -0.112) 0.396 14.557 ( 0.937 0.000 0.521) 1.072 14.587 ( 0.013 0.000 0.071) 0.073 14.593 ( -0.657 0.000 -0.634) 0.913 14.595 ( -0.310 0.000 0.064) 0.317 14.604 ( 0.118 0.000 0.017) 0.119 14.611 ( -0.235 0.000 -0.066) 0.244 14.759 ( 0.282 0.000 3.698) 3.709 14.816 ( -2.229 0.000 4.660) 5.166 14.980 ( 0.096 0.000 -0.084) 0.128 14.984 ( -0.127 0.000 -0.198) 0.235 15.045 ( -0.088 0.000 -4.769) 4.770 15.149 ( -5.104 0.000 -7.760) 9.288 15.157 ( 0.381 0.000 0.762) 0.851 15.187 ( -0.912 0.000 -0.474) 1.027 15.266 ( 1.386 0.000 1.151) 1.802 15.301 ( 0.465 0.000 -0.220) 0.514 15.356 ( -0.169 0.000 0.108) 0.200 15.365 ( -1.108 0.000 -0.006) 1.108 18.091 ( 0.338 0.000 0.685) 0.764 18.108 ( 0.477 0.000 0.051) 0.480 18.117 ( -0.009 0.000 1.174) 1.175 18.130 ( 0.255 0.000 0.363) 0.443 19.408 ( 0.057 0.000 0.498) 0.501 19.438 ( -1.086 0.000 -0.083) 1.089 19.591 ( 0.904 0.000 1.650) 1.882 19.659 ( -1.542 0.000 -1.091) 1.889 21.757 ( 1.856 0.000 1.439) 2.349 21.833 ( -1.339 0.000 -1.774) 2.223 22.200 ( 3.765 0.000 2.238) 4.380 22.298 ( 0.182 0.000 -1.314) 1.326 22.477 ( -1.628 0.000 -0.542) 1.715 22.506 ( -2.310 0.000 -0.699) 2.413 22.667 ( 0.749 0.000 1.541) 1.713 22.733 ( -2.022 0.000 -1.204) 2.354 24.536 ( 0.093 0.000 0.037) 0.100 24.539 ( -0.010 0.000 -0.085) 0.086 24.546 ( 0.067 0.000 0.073) 0.099 24.548 ( -0.041 0.000 -0.033) 0.053 28.096 ( 6.974 0.000 0.459) 6.989 28.132 ( 4.655 0.000 -1.239) 4.817 28.226 ( 3.679 0.000 4.636) 5.918 28.298 ( 2.340 0.000 7.798) 8.142 28.357 ( -5.140 0.000 3.141) 6.023 28.484 ( -8.923 0.000 -2.351) 9.228 28.567 ( 1.951 0.000 -3.054) 3.624 28.838 ( -6.684 0.000 -9.586) 11.686 31.433 ( 2.045 0.000 2.462) 3.200 31.501 ( -0.673 0.000 1.338) 1.498 31.703 ( 1.763 0.000 0.572) 1.853 31.734 ( 0.729 0.000 -0.820) 1.097 31.797 ( -0.272 0.000 1.566) 1.589 31.825 ( 4.447 0.000 4.513) 6.336 31.866 ( -2.621 0.000 -1.416) 2.979 32.160 ( -9.379 0.000 -8.876) 12.913 33.455 ( 3.481 0.000 1.441) 3.767 33.503 ( 3.115 0.000 -0.672) 3.187 33.617 ( -3.055 0.000 0.891) 3.182 33.654 ( -2.743 0.000 -0.723) 2.837 36.565 ( 2.675 0.000 1.340) 2.992 36.646 ( 0.148 0.000 -2.366) 2.371 36.670 ( 0.529 0.000 3.807) 3.844 36.806 ( -2.833 0.000 0.846) 2.956 36.849 ( 0.718 0.000 -1.448) 1.616 36.864 ( 2.068 0.000 3.763) 4.294 36.889 ( -3.392 0.000 -5.088) 6.115 37.010 ( -3.268 0.000 -2.645) 4.204 37.331 ( -1.657 0.000 1.744) 2.405 37.350 ( -2.381 0.000 1.508) 2.818 38.586 ( 5.008 0.000 1.388) 5.197 38.666 ( 1.278 0.000 -2.007) 2.380 ======================= Grid point 52 (20/48) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( -7.566 0.000 0.648) 7.594 1.084 ( 7.566 0.000 0.648) 7.594 1.435 ( -1.698 0.000 2.708) 3.197 1.435 ( 1.698 0.000 2.708) 3.197 1.683 ( -8.049 0.000 16.458) 18.320 1.683 ( 8.049 0.000 16.458) 18.320 2.075 ( -3.208 0.000 -1.954) 3.756 2.075 ( 3.208 0.000 -1.954) 3.756 2.098 ( -7.927 0.000 -2.204) 8.228 2.098 ( 7.927 0.000 -2.204) 8.228 2.332 ( -2.298 0.000 1.434) 2.709 2.332 ( 2.298 0.000 1.434) 2.709 2.380 ( -5.631 0.000 3.191) 6.472 2.380 ( 5.631 0.000 3.191) 6.472 2.586 ( -10.051 0.000 11.672) 15.404 2.586 ( 10.051 0.000 11.672) 15.404 2.703 ( -4.748 0.000 -1.639) 5.023 2.703 ( 4.748 0.000 -1.639) 5.023 2.996 ( -6.001 0.000 -10.021) 11.681 2.996 ( 6.001 0.000 -10.021) 11.681 3.239 ( -4.711 0.000 -13.459) 14.260 3.239 ( 4.711 0.000 -13.459) 14.260 3.433 ( -4.174 0.000 -2.613) 4.924 3.433 ( 4.174 0.000 -2.613) 4.924 3.592 ( -11.279 0.000 3.561) 11.828 3.592 ( 11.279 0.000 3.561) 11.828 3.600 ( -13.894 0.000 4.423) 14.581 3.600 ( 13.894 0.000 4.423) 14.581 3.754 ( -2.938 0.000 -2.862) 4.101 3.754 ( 2.938 0.000 -2.862) 4.101 3.866 ( -7.618 0.000 -6.335) 9.908 3.866 ( 7.618 0.000 -6.335) 9.908 3.935 ( -5.830 0.000 3.327) 6.713 3.935 ( 5.830 0.000 3.327) 6.713 4.258 ( -5.308 0.000 -8.335) 9.881 4.258 ( 5.308 0.000 -8.335) 9.881 4.354 ( -2.230 0.000 0.247) 2.244 4.354 ( 2.230 0.000 0.247) 2.244 4.490 ( -2.904 0.000 -0.332) 2.923 4.490 ( 2.904 0.000 -0.332) 2.923 4.564 ( -8.036 0.000 7.254) 10.825 4.564 ( 8.036 0.000 7.254) 10.825 4.731 ( -1.467 0.000 2.697) 3.070 4.731 ( 1.467 0.000 2.697) 3.070 4.756 ( -1.610 0.000 -3.585) 3.930 4.756 ( 1.610 0.000 -3.585) 3.930 4.953 ( -2.449 0.000 1.751) 3.011 4.953 ( 2.449 0.000 1.751) 3.011 4.997 ( -8.711 0.000 -0.504) 8.725 4.997 ( 8.711 0.000 -0.504) 8.725 5.291 ( -1.575 0.000 3.064) 3.445 5.291 ( 1.575 0.000 3.064) 3.445 5.620 ( -6.857 0.000 1.444) 7.008 5.620 ( 6.857 0.000 1.444) 7.008 5.726 ( -5.068 0.000 -1.372) 5.250 5.726 ( 5.068 0.000 -1.372) 5.250 5.873 ( -2.867 0.000 4.191) 5.078 5.873 ( 2.867 0.000 4.191) 5.078 6.123 ( -2.779 0.000 -5.480) 6.144 6.123 ( 2.779 0.000 -5.480) 6.144 6.203 ( -6.075 0.000 4.092) 7.325 6.203 ( 6.075 0.000 4.092) 7.325 6.395 ( -3.829 0.000 -3.987) 5.528 6.395 ( 3.829 0.000 -3.987) 5.528 6.687 ( -0.594 0.000 0.843) 1.032 6.687 ( 0.594 0.000 0.843) 1.032 6.850 ( -0.941 0.000 -0.241) 0.972 6.850 ( 0.941 0.000 -0.241) 0.972 7.133 ( -3.329 0.000 1.660) 3.720 7.133 ( 3.329 0.000 1.660) 3.720 7.270 ( -8.159 0.000 -0.063) 8.160 7.270 ( 8.159 0.000 -0.063) 8.160 8.133 ( -0.110 0.000 1.074) 1.080 8.133 ( 0.110 0.000 1.074) 1.080 8.238 ( -0.908 0.000 -0.534) 1.053 8.238 ( 0.908 0.000 -0.534) 1.053 8.710 ( -1.186 0.000 0.280) 1.219 8.710 ( 1.186 0.000 0.280) 1.219 8.770 ( -0.650 0.000 -0.847) 1.068 8.770 ( 0.650 0.000 -0.847) 1.068 9.006 ( -3.195 0.000 0.838) 3.303 9.006 ( 3.195 0.000 0.838) 3.303 9.062 ( -1.543 0.000 -0.947) 1.810 9.062 ( 1.543 0.000 -0.947) 1.810 9.545 ( -2.838 0.000 1.109) 3.047 9.545 ( 2.838 0.000 1.109) 3.047 9.604 ( -2.251 0.000 -1.481) 2.694 9.604 ( 2.251 0.000 -1.481) 2.694 9.808 ( -0.144 0.000 -0.187) 0.236 9.808 ( 0.144 0.000 -0.187) 0.236 10.005 ( -0.761 0.000 0.260) 0.804 10.005 ( 0.761 0.000 0.260) 0.804 10.676 ( -0.607 0.000 1.052) 1.215 10.676 ( 0.607 0.000 1.052) 1.215 10.812 ( -1.190 0.000 0.053) 1.191 10.812 ( 1.190 0.000 0.053) 1.191 10.921 ( -0.999 0.000 0.358) 1.062 10.921 ( 0.999 0.000 0.358) 1.062 10.956 ( -0.839 0.000 -0.576) 1.017 10.956 ( 0.839 0.000 -0.576) 1.017 11.226 ( -3.305 0.000 -0.003) 3.305 11.226 ( 3.305 0.000 -0.003) 3.305 11.245 ( -0.553 0.000 -0.904) 1.059 11.245 ( 0.553 0.000 -0.904) 1.059 13.441 ( -0.427 0.000 0.315) 0.531 13.441 ( 0.427 0.000 0.315) 0.531 13.537 ( -0.271 0.000 -0.260) 0.376 13.537 ( 0.271 0.000 -0.260) 0.376 14.398 ( -0.300 0.000 0.303) 0.426 14.398 ( 0.300 0.000 0.303) 0.426 14.577 ( -0.857 0.000 -0.204) 0.881 14.577 ( 0.857 0.000 -0.204) 0.881 14.589 ( -0.203 0.000 0.223) 0.301 14.589 ( 0.203 0.000 0.223) 0.301 14.608 ( -0.126 0.000 -0.190) 0.228 14.608 ( 0.126 0.000 -0.190) 0.228 14.778 ( -1.338 0.000 3.862) 4.087 14.778 ( 1.338 0.000 3.862) 4.087 14.982 ( -0.099 0.000 -0.112) 0.149 14.982 ( 0.099 0.000 -0.112) 0.149 15.067 ( -2.318 0.000 -6.575) 6.972 15.067 ( 2.318 0.000 -6.575) 6.972 15.169 ( -0.684 0.000 0.101) 0.692 15.169 ( 0.684 0.000 0.101) 0.692 15.295 ( -1.045 0.000 1.245) 1.625 15.295 ( 1.045 0.000 1.245) 1.625 15.353 ( -0.103 0.000 -0.249) 0.270 15.353 ( 0.103 0.000 -0.249) 0.270 18.101 ( -0.581 0.000 0.948) 1.112 18.101 ( 0.581 0.000 0.948) 1.112 18.128 ( -0.478 0.000 0.114) 0.491 18.128 ( 0.478 0.000 0.114) 0.491 19.417 ( -0.775 0.000 0.449) 0.896 19.417 ( 0.775 0.000 0.449) 0.896 19.621 ( -1.744 0.000 -0.038) 1.745 19.621 ( 1.744 0.000 -0.038) 1.745 21.798 ( -1.859 0.000 -0.071) 1.860 21.798 ( 1.859 0.000 -0.071) 1.860 22.269 ( -2.498 0.000 1.587) 2.959 22.269 ( 2.498 0.000 1.587) 2.959 22.470 ( -0.800 0.000 -1.521) 1.719 22.470 ( 0.800 0.000 -1.521) 1.719 22.693 ( -1.573 0.000 0.073) 1.574 22.693 ( 1.573 0.000 0.073) 1.574 24.538 ( -0.069 0.000 -0.016) 0.071 24.538 ( 0.069 0.000 -0.016) 0.071 24.547 ( -0.055 0.000 0.015) 0.057 24.547 ( 0.055 0.000 0.015) 0.057 28.236 ( -5.328 0.000 0.834) 5.393 28.236 ( 5.328 0.000 0.834) 5.393 28.284 ( -8.741 0.000 -0.834) 8.780 28.284 ( 8.741 0.000 -0.834) 8.780 28.298 ( -2.315 0.000 6.703) 7.091 28.298 ( 2.315 0.000 6.703) 7.091 28.675 ( -7.381 0.000 -6.987) 10.164 28.675 ( 7.381 0.000 -6.987) 10.164 31.475 ( -1.698 0.000 2.496) 3.019 31.475 ( 1.698 0.000 2.496) 3.019 31.734 ( -0.890 0.000 0.402) 0.977 31.734 ( 0.890 0.000 0.402) 0.977 31.814 ( -1.919 0.000 -0.447) 1.971 31.814 ( 1.919 0.000 -0.447) 1.971 31.965 ( -8.100 0.000 -2.824) 8.578 31.965 ( 8.100 0.000 -2.824) 8.578 33.535 ( -3.479 0.000 0.971) 3.612 33.535 ( 3.479 0.000 0.971) 3.612 33.584 ( -3.269 0.000 -0.400) 3.294 33.584 ( 3.269 0.000 -0.400) 3.294 36.621 ( -2.194 0.000 0.466) 2.243 36.621 ( 2.194 0.000 0.466) 2.243 36.715 ( -3.682 0.000 2.375) 4.381 36.715 ( 3.682 0.000 2.375) 4.381 36.862 ( -0.529 0.000 -2.865) 2.913 36.862 ( 0.529 0.000 -2.865) 2.913 36.931 ( -3.732 0.000 -0.426) 3.756 36.931 ( 3.732 0.000 -0.426) 3.756 37.321 ( -0.461 0.000 0.336) 0.570 37.321 ( 0.461 0.000 0.336) 0.570 38.659 ( -1.805 0.000 0.308) 1.831 38.659 ( 1.805 0.000 0.308) 1.831 ======================= Grid point 56 (21/48) ======================= q-point: ( 0.00 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( 0.000 16.279 18.492) 24.637 0.923 ( 0.000 9.968 33.942) 35.375 1.352 ( 0.000 36.829 14.658) 39.639 1.458 ( 0.000 5.136 13.058) 14.032 1.542 ( 0.000 9.162 -14.839) 17.439 1.862 ( 0.000 26.529 -4.240) 26.865 2.039 ( 0.000 16.004 0.030) 16.004 2.079 ( 0.000 -0.606 14.342) 14.355 2.142 ( 0.000 32.368 7.823) 33.300 2.380 ( 0.000 -9.711 3.776) 10.419 2.388 ( 0.000 -6.888 -13.498) 15.154 2.435 ( 0.000 1.019 -0.189) 1.036 2.527 ( 0.000 4.042 3.973) 5.668 2.538 ( 0.000 0.113 -2.519) 2.521 2.665 ( 0.000 -2.804 -2.861) 4.006 2.748 ( 0.000 -9.509 -5.886) 11.183 2.817 ( 0.000 0.643 3.198) 3.262 2.842 ( 0.000 3.062 -7.146) 7.774 2.997 ( 0.000 8.707 -14.645) 17.038 3.090 ( 0.000 0.894 -0.359) 0.963 3.166 ( 0.000 2.643 0.435) 2.678 3.218 ( 0.000 5.826 -12.743) 14.012 3.255 ( 0.000 9.521 4.107) 10.369 3.279 ( 0.000 4.932 5.266) 7.215 3.368 ( 0.000 10.401 0.856) 10.436 3.574 ( 0.000 7.939 -1.645) 8.108 3.604 ( 0.000 2.554 -10.099) 10.417 3.722 ( 0.000 -0.216 -1.869) 1.882 3.834 ( 0.000 7.597 0.158) 7.598 3.894 ( 0.000 0.623 1.045) 1.216 3.895 ( 0.000 2.340 0.650) 2.428 3.989 ( 0.000 5.072 -9.779) 11.016 4.126 ( 0.000 -3.529 5.527) 6.558 4.200 ( 0.000 0.974 0.971) 1.375 4.320 ( 0.000 -0.974 3.616) 3.745 4.332 ( 0.000 1.207 -3.302) 3.516 4.360 ( 0.000 -3.664 -2.186) 4.266 4.494 ( 0.000 -1.357 -4.207) 4.421 4.611 ( 0.000 0.727 -1.121) 1.336 4.644 ( 0.000 -4.423 -2.632) 5.147 4.711 ( 0.000 -0.385 4.712) 4.728 4.735 ( 0.000 2.961 2.261) 3.725 4.798 ( 0.000 2.559 -0.126) 2.562 4.910 ( 0.000 0.812 -0.754) 1.108 4.955 ( 0.000 -1.826 -1.705) 2.499 4.988 ( 0.000 6.142 -2.382) 6.588 5.053 ( 0.000 -1.473 0.165) 1.482 5.091 ( 0.000 0.021 6.935) 6.935 5.127 ( 0.000 -0.334 4.797) 4.809 5.216 ( 0.000 2.135 5.151) 5.576 5.281 ( 0.000 1.012 5.882) 5.968 5.367 ( 0.000 7.071 -3.415) 7.853 5.548 ( 0.000 4.717 2.933) 5.555 5.730 ( 0.000 2.782 -1.657) 3.238 5.852 ( 0.000 4.465 2.295) 5.020 5.978 ( 0.000 2.738 -2.530) 3.728 6.018 ( 0.000 -1.610 -2.992) 3.398 6.043 ( 0.000 0.946 3.786) 3.903 6.075 ( 0.000 0.898 0.992) 1.338 6.207 ( 0.000 -0.841 3.681) 3.776 6.242 ( 0.000 2.387 -5.547) 6.039 6.251 ( 0.000 -1.150 -4.984) 5.115 6.325 ( 0.000 3.580 -2.194) 4.199 6.365 ( 0.000 -1.434 0.133) 1.440 6.389 ( 0.000 0.919 -0.463) 1.029 6.488 ( 0.000 1.987 -9.853) 10.052 6.575 ( 0.000 -2.850 3.638) 4.621 6.607 ( 0.000 -0.263 1.917) 1.935 6.792 ( 0.000 -0.622 -0.519) 0.810 6.808 ( 0.000 -1.444 -1.107) 1.820 7.095 ( 0.000 -15.801 8.909) 18.139 7.136 ( 0.000 -6.637 1.650) 6.839 8.140 ( 0.000 -0.439 0.536) 0.693 8.174 ( 0.000 0.293 2.284) 2.303 8.178 ( 0.000 -1.211 -1.991) 2.331 8.280 ( 0.000 -1.060 -2.249) 2.486 8.578 ( 0.000 -6.580 -0.054) 6.580 8.645 ( 0.000 -10.144 -2.303) 10.402 8.729 ( 0.000 -7.406 0.825) 7.452 8.732 ( 0.000 -5.564 0.367) 5.577 8.993 ( 0.000 3.755 1.326) 3.982 9.093 ( 0.000 3.423 -3.412) 4.834 9.174 ( 0.000 1.303 1.245) 1.802 9.211 ( 0.000 1.249 -0.546) 1.363 9.354 ( 0.000 -3.779 0.263) 3.788 9.362 ( 0.000 -2.732 -0.049) 2.732 9.566 ( 0.000 -9.800 1.683) 9.943 9.589 ( 0.000 -6.688 -0.057) 6.688 9.874 ( 0.000 1.528 0.651) 1.661 9.909 ( 0.000 2.427 -0.947) 2.605 10.011 ( 0.000 0.979 0.244) 1.009 10.054 ( 0.000 -0.858 -1.000) 1.317 10.523 ( 0.000 -6.636 0.506) 6.655 10.541 ( 0.000 -8.055 -0.275) 8.059 10.639 ( 0.000 -10.656 1.117) 10.714 10.671 ( 0.000 -10.063 1.049) 10.118 10.894 ( 0.000 1.500 -1.295) 1.982 10.904 ( 0.000 1.414 -1.177) 1.840 10.944 ( 0.000 -0.749 1.043) 1.284 10.991 ( 0.000 -4.386 -0.121) 4.388 11.064 ( 0.000 6.028 1.744) 6.275 11.109 ( 0.000 4.544 0.102) 4.545 11.186 ( 0.000 -0.108 1.937) 1.940 11.205 ( 0.000 -2.902 0.375) 2.926 13.481 ( 0.000 4.654 0.136) 4.656 13.512 ( 0.000 4.017 -1.096) 4.164 13.565 ( 0.000 2.422 0.414) 2.457 13.588 ( 0.000 2.396 -0.301) 2.415 14.402 ( 0.000 1.323 0.363) 1.372 14.428 ( 0.000 1.181 -0.869) 1.466 14.522 ( 0.000 -0.442 1.561) 1.622 14.567 ( 0.000 -1.352 -0.324) 1.391 14.610 ( 0.000 1.624 -0.446) 1.684 14.615 ( 0.000 1.290 -0.306) 1.326 14.641 ( 0.000 1.919 0.832) 2.092 14.707 ( 0.000 3.519 -4.007) 5.333 14.795 ( 0.000 -0.635 3.307) 3.368 14.933 ( 0.000 -1.979 2.910) 3.519 14.963 ( 0.000 -1.890 -3.163) 3.684 14.982 ( 0.000 -0.141 -2.558) 2.562 15.169 ( 0.000 1.533 3.566) 3.882 15.191 ( 0.000 1.758 2.339) 2.926 15.225 ( 0.000 0.221 0.203) 0.300 15.244 ( 0.000 1.819 -0.111) 1.822 15.286 ( 0.000 -0.008 -1.388) 1.388 15.341 ( 0.000 0.428 1.422) 1.485 15.344 ( 0.000 0.395 -3.545) 3.567 15.401 ( 0.000 1.361 -3.017) 3.310 18.062 ( 0.000 0.027 0.056) 0.063 18.075 ( 0.000 -0.216 -0.252) 0.332 18.102 ( 0.000 -0.571 0.114) 0.583 18.107 ( 0.000 -0.397 0.080) 0.405 19.424 ( 0.000 0.814 0.339) 0.882 19.456 ( 0.000 -0.355 -0.894) 0.962 19.569 ( 0.000 -3.454 2.634) 4.344 19.591 ( 0.000 -1.435 0.396) 1.489 21.930 ( 0.000 5.841 -2.839) 6.494 21.942 ( 0.000 11.921 -8.794) 14.814 22.082 ( 0.000 0.734 0.945) 1.197 22.125 ( 0.000 0.088 -0.838) 0.843 22.512 ( 0.000 -6.299 5.515) 8.372 22.556 ( 0.000 -1.771 0.091) 1.774 22.637 ( 0.000 -1.842 3.708) 4.141 22.773 ( 0.000 -1.826 -2.155) 2.825 24.539 ( 0.000 0.444 0.058) 0.448 24.542 ( 0.000 0.318 -0.113) 0.338 24.547 ( 0.000 0.233 0.102) 0.255 24.551 ( 0.000 0.127 -0.076) 0.148 27.976 ( 0.000 3.329 1.489) 3.647 28.063 ( 0.000 0.065 -0.167) 0.179 28.128 ( 0.000 -0.553 1.814) 1.897 28.163 ( 0.000 -4.076 7.331) 8.388 28.260 ( 0.000 -7.438 -2.951) 8.002 28.470 ( 0.000 -6.082 -5.487) 8.191 29.026 ( 0.000 17.396 4.052) 17.862 29.403 ( 0.000 19.095 -19.240) 27.107 31.396 ( 0.000 1.737 1.552) 2.329 31.459 ( 0.000 -1.741 -1.024) 2.020 31.621 ( 0.000 -4.803 5.037) 6.960 31.739 ( 0.000 5.095 -1.254) 5.247 31.799 ( 0.000 4.411 -0.756) 4.475 31.841 ( 0.000 -5.032 -1.908) 5.382 32.318 ( 0.000 8.357 -1.655) 8.519 32.483 ( 0.000 16.276 -18.899) 24.942 33.337 ( 0.000 -3.165 2.744) 4.189 33.424 ( 0.000 -4.235 -0.150) 4.238 33.626 ( 0.000 0.594 1.485) 1.600 33.697 ( 0.000 -0.089 -1.449) 1.452 36.519 ( 0.000 0.855 -0.611) 1.051 36.587 ( 0.000 -1.177 -1.673) 2.045 36.722 ( 0.000 2.086 1.972) 2.871 36.848 ( 0.000 5.301 -0.878) 5.373 36.850 ( 0.000 1.790 0.992) 2.047 36.907 ( 0.000 5.180 6.575) 8.371 37.036 ( 0.000 -2.325 -10.418) 10.675 37.135 ( 0.000 3.853 -3.359) 5.111 37.433 ( 0.000 -5.694 9.247) 10.859 37.670 ( 0.000 -6.432 -3.163) 7.168 37.819 ( 0.000 -22.351 24.982) 33.521 38.224 ( 0.000 -11.328 -3.427) 11.835 ======================= Grid point 57 (22/48) ======================= q-point: ( 0.17 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( 14.960 11.958 14.029) 23.740 1.064 ( 11.565 10.040 26.369) 30.493 1.468 ( 2.342 4.811 5.966) 8.014 1.512 ( 13.492 31.914 12.165) 36.723 1.647 ( 7.888 6.760 -4.992) 11.526 1.874 ( 0.416 23.620 -1.682) 23.684 2.017 ( -1.589 17.587 1.558) 17.727 2.102 ( -0.030 0.915 9.922) 9.965 2.188 ( 4.530 22.176 7.539) 23.857 2.269 ( -6.549 -5.362 0.672) 8.490 2.344 ( -3.901 -2.634 -2.804) 5.479 2.455 ( 1.158 -3.054 -4.353) 5.442 2.491 ( -2.385 5.477 2.245) 6.382 2.583 ( 1.705 4.503 -2.966) 5.655 2.640 ( -1.342 3.915 -2.139) 4.659 2.751 ( -5.662 0.955 2.934) 6.449 2.796 ( 2.247 -5.194 -6.543) 8.651 2.836 ( -0.371 1.445 -5.564) 5.761 2.982 ( -0.279 9.274 -9.286) 13.127 3.042 ( -1.195 0.532 0.103) 1.312 3.117 ( -2.602 0.399 0.881) 2.776 3.212 ( 0.175 4.885 -2.419) 5.454 3.229 ( -1.919 7.198 -3.662) 8.301 3.309 ( -1.372 8.463 -3.333) 9.198 3.390 ( 2.469 7.443 -0.342) 7.849 3.561 ( -3.030 4.446 -2.895) 6.110 3.597 ( 0.921 3.527 -5.930) 6.960 3.711 ( -0.670 2.355 -2.781) 3.705 3.840 ( -0.107 4.751 0.247) 4.759 3.870 ( 3.375 -2.916 3.188) 5.483 3.979 ( -1.884 5.800 -8.757) 10.671 4.010 ( 6.454 -1.933 -1.905) 7.002 4.039 ( -2.235 -4.747 3.875) 6.523 4.213 ( -4.120 -0.285 -3.733) 5.567 4.284 ( -1.221 1.103 3.107) 3.516 4.341 ( -0.567 0.129 0.575) 0.818 4.404 ( 1.958 0.224 -2.051) 2.844 4.519 ( 0.463 -0.693 -2.838) 2.958 4.546 ( -5.956 3.034 3.720) 7.650 4.628 ( -0.706 -0.670 1.070) 1.447 4.672 ( 0.545 -1.784 -0.273) 1.885 4.718 ( -4.327 2.772 0.925) 5.221 4.746 ( -5.469 4.422 -0.700) 7.068 4.799 ( -8.334 3.047 -3.416) 9.509 4.823 ( -6.472 1.765 -1.476) 6.868 4.844 ( -8.214 4.611 -2.158) 9.663 5.039 ( -4.252 0.076 5.484) 6.940 5.068 ( -2.582 -0.038 4.376) 5.081 5.152 ( 1.027 1.561 0.310) 1.894 5.196 ( -1.148 -0.233 6.090) 6.202 5.270 ( -4.612 4.132 3.201) 6.971 5.288 ( -0.123 1.754 2.179) 2.799 5.535 ( -0.599 3.617 3.227) 4.885 5.674 ( -3.923 1.701 -1.485) 4.526 5.844 ( -0.417 2.863 2.943) 4.127 5.987 ( -1.722 -2.416 -2.283) 3.744 6.006 ( -4.292 -0.925 5.343) 6.916 6.044 ( -1.523 1.962 -1.874) 3.112 6.068 ( -4.221 1.031 -1.519) 4.603 6.148 ( -3.289 0.607 0.926) 3.471 6.240 ( 1.510 -2.463 -5.424) 6.146 6.254 ( -1.680 2.050 -4.217) 4.980 6.354 ( 8.806 2.690 0.056) 9.208 6.365 ( 4.365 5.253 -3.050) 7.480 6.467 ( -3.303 -0.783 3.018) 4.542 6.523 ( 8.073 0.078 0.521) 8.090 6.541 ( 6.713 -0.085 0.742) 6.754 6.601 ( 1.114 0.426 -0.375) 1.250 6.822 ( 4.188 -0.753 3.600) 5.574 6.909 ( 6.662 -0.937 -1.748) 6.952 7.086 ( 5.728 -5.649 9.031) 12.095 7.450 ( 6.448 -17.906 -7.778) 20.560 8.139 ( -0.098 -0.594 0.624) 0.868 8.159 ( -0.616 0.554 0.746) 1.115 8.206 ( 1.300 -0.667 -1.102) 1.830 8.272 ( -0.678 -1.008 -2.005) 2.344 8.583 ( 0.544 -6.621 -0.273) 6.648 8.641 ( -0.194 -8.979 -2.141) 9.233 8.711 ( -1.125 -7.373 1.369) 7.583 8.736 ( -0.310 -6.343 0.105) 6.352 9.011 ( 1.164 4.320 0.543) 4.508 9.085 ( -0.524 3.860 -2.535) 4.648 9.162 ( -1.081 1.512 1.037) 2.128 9.191 ( -1.802 1.943 -0.425) 2.684 9.371 ( 1.524 -4.380 0.304) 4.648 9.391 ( 2.264 -5.187 -0.815) 5.718 9.547 ( -1.535 -9.046 1.607) 9.315 9.578 ( -1.088 -6.873 -0.190) 6.961 9.884 ( 0.469 2.285 -0.085) 2.334 9.899 ( -0.861 2.862 -0.562) 3.041 10.005 ( -0.373 1.312 0.590) 1.486 10.045 ( -0.715 -0.556 -0.843) 1.237 10.531 ( 0.613 -8.135 0.747) 8.192 10.566 ( 1.497 -8.843 -0.745) 9.000 10.617 ( -1.123 -11.179 2.228) 11.454 10.677 ( 0.336 -10.119 -0.339) 10.130 10.900 ( 0.747 1.766 -0.517) 1.986 10.924 ( 1.355 1.659 -1.302) 2.507 10.980 ( 3.039 -0.705 1.226) 3.352 11.015 ( 1.090 -0.795 1.863) 2.300 11.052 ( -0.776 4.249 1.181) 4.478 11.094 ( -0.184 1.423 -1.254) 1.905 11.158 ( 0.565 -2.062 1.896) 2.858 11.226 ( 0.284 -3.204 -0.637) 3.279 13.485 ( 0.351 4.777 0.164) 4.793 13.511 ( -0.057 4.238 -0.783) 4.311 13.565 ( 0.004 2.493 0.409) 2.526 13.586 ( -0.191 2.559 -0.313) 2.585 14.402 ( 0.039 1.329 0.387) 1.385 14.426 ( -0.234 1.234 -0.639) 1.409 14.528 ( 0.513 -0.709 1.127) 1.427 14.563 ( -0.380 -1.561 -0.084) 1.609 14.605 ( -0.255 1.148 -0.210) 1.195 14.617 ( 0.058 1.410 -0.162) 1.421 14.637 ( -0.361 2.036 0.180) 2.076 14.694 ( -1.420 3.523 -2.911) 4.786 14.771 ( -1.277 -0.197 3.891) 4.100 14.878 ( -3.334 -0.344 3.746) 5.026 14.959 ( -0.613 -2.040 -1.850) 2.821 14.978 ( -0.448 -0.568 -2.214) 2.329 15.123 ( -2.527 3.575 2.380) 4.983 15.173 ( -0.399 2.050 1.744) 2.721 15.235 ( 0.396 1.903 -0.703) 2.067 15.243 ( -0.384 1.215 0.028) 1.274 15.287 ( 0.664 0.760 -1.540) 1.842 15.298 ( -2.765 1.226 -3.636) 4.730 15.353 ( 0.087 -0.191 0.243) 0.321 15.390 ( -1.302 -0.118 -1.523) 2.007 18.075 ( 0.769 -0.507 0.361) 0.989 18.082 ( 0.452 -0.569 0.144) 0.741 18.106 ( 0.106 -0.917 0.508) 1.054 18.111 ( 0.422 -0.596 0.015) 0.731 19.417 ( -0.491 0.647 0.227) 0.843 19.449 ( -0.677 -0.585 -0.745) 1.165 19.559 ( -0.136 -2.117 2.488) 3.269 19.618 ( 0.847 -3.694 -0.503) 3.823 21.863 ( -2.923 9.662 -0.926) 10.136 21.920 ( -0.818 5.700 -2.563) 6.303 22.120 ( 3.069 0.303 1.520) 3.438 22.229 ( 4.633 -1.080 -4.795) 6.754 22.484 ( -1.928 -4.178 3.787) 5.960 22.534 ( -1.896 -1.486 -0.212) 2.418 22.638 ( 0.143 -2.039 2.940) 3.581 22.754 ( -1.592 -1.887 -1.957) 3.150 24.540 ( 0.067 0.446 0.057) 0.455 24.543 ( 0.034 0.335 -0.094) 0.349 24.548 ( 0.070 0.267 0.079) 0.287 24.551 ( -0.002 0.150 -0.057) 0.161 28.006 ( 2.611 1.731 1.705) 3.566 28.073 ( 1.444 0.292 -0.263) 1.496 28.148 ( 1.662 -1.393 3.091) 3.776 28.181 ( 3.924 0.045 2.062) 4.433 28.346 ( 3.867 -6.831 0.478) 7.865 28.476 ( 0.770 -4.674 -5.062) 6.933 28.910 ( -9.756 17.239 4.263) 20.261 29.231 ( -12.094 16.438 -11.754) 23.551 31.409 ( 1.166 1.568 1.639) 2.551 31.469 ( 0.726 -1.660 -0.469) 1.872 31.638 ( 1.492 -3.982 4.027) 5.856 31.750 ( 0.766 3.494 -1.858) 4.030 31.809 ( 1.250 5.032 -0.397) 5.200 31.837 ( -0.218 -2.326 -0.437) 2.376 32.125 ( -10.253 14.845 3.066) 18.300 32.414 ( -7.316 6.563 -11.854) 15.398 33.357 ( 1.914 -3.267 2.114) 4.337 33.416 ( 0.798 -3.634 0.064) 3.721 33.640 ( -0.712 -1.317 0.338) 1.534 33.682 ( -1.522 -0.955 -1.072) 2.092 36.523 ( 0.960 0.352 1.069) 1.479 36.603 ( 1.337 -1.562 -1.271) 2.417 36.709 ( -0.791 2.561 1.946) 3.312 36.799 ( -2.609 1.281 1.947) 3.498 36.845 ( -1.348 1.119 -0.405) 1.798 36.959 ( 3.518 7.696 2.100) 8.719 36.989 ( -4.657 -1.319 -7.466) 8.898 37.113 ( -1.230 3.339 -1.381) 3.817 37.366 ( -4.099 -4.171 5.993) 8.374 37.409 ( -6.475 -1.660 4.603) 8.115 38.260 ( 16.600 -21.754 1.553) 27.408 38.323 ( 7.249 -11.631 -1.032) 13.743 ======================= Grid point 58 (23/48) ======================= q-point: ( 0.33 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( 12.636 15.693 6.695) 21.231 1.356 ( 13.400 7.455 17.024) 22.912 1.506 ( 1.096 8.857 5.072) 10.265 1.687 ( 1.922 10.398 7.106) 12.740 1.817 ( -5.646 16.540 0.850) 17.498 1.831 ( -5.529 8.926 -0.732) 10.525 1.989 ( 8.457 10.377 -0.393) 13.393 2.106 ( 2.661 -0.573 6.285) 6.849 2.194 ( -1.291 2.192 -0.976) 2.724 2.277 ( -1.372 13.754 3.392) 14.233 2.309 ( 4.865 4.686 5.315) 8.595 2.393 ( -4.111 5.967 -0.016) 7.246 2.478 ( -0.166 5.804 -0.982) 5.889 2.571 ( -4.537 11.191 -3.194) 12.491 2.598 ( -2.457 5.623 6.570) 8.990 2.677 ( 2.106 12.547 -4.591) 13.525 2.783 ( -5.290 -4.293 2.074) 7.122 2.815 ( -2.505 1.439 -0.519) 2.935 2.968 ( 0.635 5.565 -2.672) 6.206 3.036 ( -0.432 -1.131 -5.164) 5.303 3.155 ( 1.899 -3.860 -1.396) 4.523 3.195 ( 4.625 5.554 -3.692) 8.115 3.254 ( -0.241 3.550 -9.450) 10.097 3.271 ( 0.876 -1.300 -9.619) 9.746 3.441 ( 7.789 6.223 3.214) 10.475 3.564 ( 2.024 4.410 1.264) 5.014 3.652 ( 2.247 2.606 -7.075) 7.868 3.718 ( 2.681 1.313 -3.526) 4.620 3.794 ( -3.025 -0.293 0.778) 3.137 3.920 ( -3.336 5.502 -1.525) 6.613 3.955 ( 0.391 3.622 1.526) 3.950 4.012 ( -2.851 -1.000 -0.248) 3.032 4.093 ( -3.098 3.932 1.448) 5.211 4.127 ( -3.602 -0.454 1.120) 3.800 4.216 ( -1.341 -1.283 -5.404) 5.714 4.308 ( 0.041 -1.071 2.532) 2.750 4.359 ( -5.570 2.066 -4.881) 7.689 4.417 ( -4.811 4.904 1.606) 7.056 4.461 ( -4.839 3.524 0.843) 6.045 4.561 ( -3.260 1.274 -6.479) 7.364 4.626 ( -0.754 6.575 0.151) 6.620 4.641 ( -2.260 -0.493 3.875) 4.513 4.695 ( -1.597 -1.629 1.472) 2.715 4.731 ( 0.200 2.157 -1.864) 2.858 4.748 ( 2.331 2.232 0.034) 3.227 4.807 ( 1.462 2.055 -1.200) 2.793 4.922 ( -3.671 1.203 3.884) 5.478 5.016 ( -2.527 0.664 3.504) 4.371 5.079 ( -5.979 6.845 4.291) 10.051 5.132 ( -4.018 -0.546 -1.000) 4.177 5.228 ( 2.164 -1.096 3.119) 3.952 5.320 ( -0.669 -2.621 2.257) 3.523 5.534 ( 0.918 2.368 2.909) 3.861 5.623 ( -0.201 -0.510 -1.513) 1.609 5.808 ( -4.920 -0.760 1.756) 5.279 5.842 ( -8.978 -0.750 0.257) 9.013 5.901 ( -1.920 2.635 1.303) 3.512 5.978 ( -2.996 2.317 3.371) 5.070 6.062 ( 2.291 -1.197 -1.413) 2.946 6.113 ( 1.598 2.377 -1.155) 3.088 6.205 ( -2.549 1.983 -5.077) 6.017 6.283 ( -0.598 -2.440 -2.141) 3.301 6.334 ( -3.037 -1.978 -0.011) 3.624 6.456 ( -4.261 -3.302 -1.023) 5.487 6.599 ( 10.113 3.983 0.564) 10.884 6.613 ( 9.267 3.193 0.311) 9.807 6.747 ( 8.673 0.920 0.572) 8.740 6.785 ( 7.690 1.308 -0.951) 7.858 6.948 ( 7.342 -1.433 3.283) 8.169 7.044 ( 5.369 -1.709 -1.661) 5.874 7.176 ( 1.794 -4.853 5.500) 7.551 7.405 ( -7.856 -10.408 -4.128) 13.678 8.137 ( -0.060 -0.184 0.567) 0.599 8.147 ( -0.495 0.688 0.432) 0.951 8.225 ( 0.553 -0.204 -0.744) 0.950 8.254 ( -0.916 -0.741 -1.314) 1.765 8.599 ( 0.891 -7.313 0.004) 7.367 8.639 ( -0.290 -7.381 -1.008) 7.455 8.688 ( -0.624 -7.768 0.953) 7.851 8.719 ( -1.132 -6.212 -0.246) 6.319 9.034 ( 1.183 5.023 0.311) 5.170 9.080 ( 0.162 3.487 -1.489) 3.795 9.129 ( -2.077 2.199 0.493) 3.065 9.139 ( -2.577 3.599 -0.188) 4.430 9.413 ( 2.224 -5.729 0.461) 6.163 9.442 ( 2.253 -7.316 -0.896) 7.708 9.508 ( -1.966 -8.299 1.183) 8.611 9.542 ( -2.145 -7.207 -0.395) 7.530 9.877 ( -0.753 3.697 -0.262) 3.782 9.884 ( -0.645 3.908 -0.565) 4.001 10.004 ( 0.322 0.920 0.561) 1.125 10.028 ( -0.742 0.062 -0.401) 0.846 10.541 ( 0.287 -9.687 1.251) 9.772 10.563 ( -1.035 -10.288 1.277) 10.419 10.634 ( 1.913 -11.265 0.210) 11.428 10.682 ( -0.006 -11.040 -1.074) 11.092 10.927 ( 1.602 1.851 0.304) 2.467 10.954 ( 1.319 1.750 -0.934) 2.382 10.997 ( -0.858 2.597 1.563) 3.150 11.019 ( -1.039 3.579 0.559) 3.769 11.093 ( 4.614 -2.652 0.698) 5.367 11.143 ( 3.058 -4.243 -1.698) 5.499 11.184 ( 1.180 -2.917 0.594) 3.203 11.222 ( -0.742 -3.508 -0.780) 3.669 13.495 ( 0.513 5.034 0.247) 5.066 13.509 ( -0.110 4.754 -0.108) 4.757 13.567 ( 0.174 2.716 0.068) 2.722 13.580 ( -0.328 2.846 -0.323) 2.883 14.404 ( 0.166 1.171 0.383) 1.243 14.418 ( -0.430 1.202 -0.113) 1.281 14.539 ( 0.386 -1.222 0.434) 1.353 14.554 ( -0.421 -1.832 0.248) 1.896 14.606 ( 0.481 0.959 0.327) 1.122 14.619 ( 0.142 1.840 -0.076) 1.847 14.627 ( -0.430 1.562 -0.496) 1.694 14.658 ( -1.510 2.568 -0.658) 3.051 14.764 ( 0.394 0.462 2.881) 2.945 14.819 ( -2.146 0.366 3.532) 4.149 14.943 ( -0.618 -2.766 -2.254) 3.621 14.961 ( -1.042 -1.803 -2.248) 3.064 15.097 ( -0.145 3.804 -0.352) 3.823 15.150 ( -1.938 1.745 -0.490) 2.654 15.216 ( -1.085 3.052 -2.378) 4.019 15.227 ( -0.775 3.409 -1.215) 3.701 15.282 ( 1.048 1.363 0.220) 1.733 15.308 ( 0.763 0.533 -0.451) 1.034 15.350 ( -0.260 -0.447 0.243) 0.571 15.359 ( -1.269 -0.436 0.069) 1.343 18.082 ( 0.265 -0.723 0.640) 1.001 18.099 ( 0.740 -0.913 -0.061) 1.177 18.103 ( -0.328 -1.049 1.028) 1.505 18.118 ( 0.132 -1.009 0.117) 1.024 19.408 ( -0.232 0.140 0.241) 0.362 19.430 ( -1.001 -0.615 -0.164) 1.186 19.564 ( 0.611 -2.422 1.430) 2.878 19.614 ( -1.027 -3.660 -0.631) 3.853 21.842 ( 0.442 7.064 0.717) 7.114 21.896 ( -1.357 5.558 -1.532) 5.922 22.193 ( 3.331 -0.598 1.922) 3.892 22.278 ( 0.200 -1.767 -1.357) 2.237 22.452 ( -0.756 -1.923 0.390) 2.103 22.487 ( -2.071 -1.123 -0.801) 2.489 22.646 ( 0.728 -2.122 1.496) 2.696 22.712 ( -2.074 -2.024 -1.219) 3.144 24.541 ( 0.084 0.438 0.033) 0.447 24.543 ( 0.003 0.369 -0.058) 0.374 24.549 ( 0.079 0.308 0.039) 0.321 24.551 ( 0.004 0.220 -0.014) 0.221 28.078 ( 3.757 -1.792 2.006) 4.620 28.134 ( 3.164 -0.782 -1.139) 3.453 28.216 ( 4.409 0.405 3.244) 5.489 28.275 ( 3.504 1.665 0.646) 3.933 28.380 ( 0.027 -1.206 2.998) 3.231 28.528 ( 4.819 -0.514 -5.203) 7.110 28.668 ( -11.411 12.700 3.957) 17.526 28.963 ( -12.431 9.000 -7.911) 17.266 31.442 ( 1.684 1.069 1.695) 2.618 31.481 ( 0.215 -0.922 0.835) 1.263 31.679 ( 2.101 -2.833 1.419) 3.802 31.754 ( -0.669 -0.539 -1.915) 2.099 31.840 ( 0.912 3.296 0.765) 3.505 31.872 ( 4.389 5.461 -0.728) 7.044 31.967 ( -4.765 9.584 3.475) 11.254 32.215 ( -9.899 4.407 -7.019) 12.910 33.417 ( 3.537 -3.308 1.407) 5.043 33.463 ( 3.218 -3.593 -0.567) 4.857 33.589 ( -3.468 -2.352 0.956) 4.298 33.628 ( -3.337 -2.291 -0.738) 4.115 36.563 ( 2.497 -0.239 1.708) 3.034 36.638 ( 1.573 -1.165 -0.980) 2.189 36.704 ( 0.309 2.993 2.373) 3.832 36.742 ( -2.153 -2.155 1.052) 3.222 36.806 ( -2.064 -1.445 -1.007) 2.714 36.860 ( -6.035 -0.440 -2.047) 6.387 37.031 ( 2.739 8.567 -0.994) 9.049 37.095 ( -0.685 4.781 -2.153) 5.288 37.309 ( -1.136 -2.117 2.662) 3.586 37.336 ( -1.707 1.301 0.771) 2.280 38.458 ( 5.040 -11.590 0.438) 12.646 38.481 ( 4.884 -15.542 -0.293) 16.294 ======================= Grid point 59 (24/48) ======================= q-point: (-0.50 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( -3.292 19.818 1.755) 20.166 1.459 ( 3.292 19.818 1.755) 20.166 1.619 ( -7.068 1.853 9.169) 11.724 1.619 ( 7.068 1.853 9.169) 11.724 1.727 ( -1.038 10.299 4.246) 11.188 1.727 ( 1.038 10.299 4.246) 11.188 2.084 ( -2.945 2.096 1.627) 3.964 2.084 ( 2.945 2.096 1.627) 3.964 2.265 ( -4.665 -0.439 -2.896) 5.508 2.265 ( 4.665 -0.439 -2.896) 5.508 2.363 ( -2.746 18.333 2.796) 18.747 2.363 ( 2.746 18.333 2.796) 18.747 2.482 ( -2.861 9.680 4.952) 11.243 2.482 ( 2.861 9.680 4.952) 11.243 2.613 ( -6.324 0.939 3.508) 7.292 2.613 ( 6.324 0.939 3.508) 7.292 2.760 ( -3.402 8.501 -0.262) 9.161 2.760 ( 3.402 8.501 -0.262) 9.161 3.004 ( -2.657 1.298 -6.153) 6.827 3.004 ( 2.657 1.298 -6.153) 6.827 3.172 ( -2.229 -1.913 -9.885) 10.312 3.172 ( 2.229 -1.913 -9.885) 10.312 3.348 ( -2.753 -3.715 -5.187) 6.949 3.348 ( 2.753 -3.715 -5.187) 6.949 3.644 ( -9.767 2.866 3.185) 10.665 3.644 ( 9.767 2.866 3.185) 10.665 3.670 ( -6.698 3.552 1.738) 7.778 3.670 ( 6.698 3.552 1.738) 7.778 3.793 ( -4.648 4.445 -1.446) 6.592 3.793 ( 4.648 4.445 -1.446) 6.592 3.943 ( -1.560 4.612 2.986) 5.711 3.943 ( 1.560 4.612 2.986) 5.711 4.029 ( -5.363 7.188 -2.076) 9.205 4.029 ( 5.363 7.188 -2.076) 9.205 4.244 ( -5.487 0.232 -7.834) 9.567 4.244 ( 5.487 0.232 -7.834) 9.567 4.372 ( -4.298 2.349 -1.073) 5.014 4.372 ( 4.298 2.349 -1.073) 5.014 4.453 ( -6.364 -0.723 -0.865) 6.463 4.453 ( 6.364 -0.723 -0.865) 6.463 4.623 ( -1.784 -0.102 2.169) 2.811 4.623 ( 1.784 -0.102 2.169) 2.811 4.713 ( -3.444 2.864 2.070) 4.934 4.713 ( 3.444 2.864 2.070) 4.934 4.804 ( -2.041 1.440 0.416) 2.532 4.804 ( 2.041 1.440 0.416) 2.532 4.945 ( -3.489 -0.544 2.600) 4.385 4.945 ( 3.489 -0.544 2.600) 4.385 5.042 ( -3.428 3.732 0.735) 5.120 5.042 ( 3.428 3.732 0.735) 5.120 5.281 ( -2.321 -1.162 1.272) 2.891 5.281 ( 2.321 -1.162 1.272) 2.891 5.597 ( -4.357 -1.765 1.052) 4.817 5.597 ( 4.357 -1.765 1.052) 4.817 5.719 ( -2.023 0.246 -0.591) 2.122 5.719 ( 2.023 0.246 -0.591) 2.122 5.918 ( -2.227 3.470 3.612) 5.482 5.918 ( 2.227 3.470 3.612) 5.482 6.138 ( -2.992 0.207 -3.439) 4.563 6.138 ( 2.992 0.207 -3.439) 4.563 6.184 ( -4.444 -0.579 2.096) 4.948 6.184 ( 4.444 -0.579 2.096) 4.948 6.369 ( -3.408 -2.343 -3.931) 5.706 6.369 ( 3.408 -2.343 -3.931) 5.706 6.721 ( -0.358 2.985 0.791) 3.109 6.721 ( 0.358 2.985 0.791) 3.109 6.859 ( -1.093 0.737 -0.488) 1.405 6.859 ( 1.093 0.737 -0.488) 1.405 7.097 ( -3.262 -2.901 1.460) 4.603 7.097 ( 3.262 -2.901 1.460) 4.603 7.219 ( -6.196 -4.355 0.054) 7.574 7.219 ( 6.196 -4.355 0.054) 7.574 8.139 ( -0.249 0.333 0.390) 0.570 8.139 ( 0.249 0.333 0.390) 0.570 8.236 ( -0.633 -0.359 -0.728) 1.030 8.236 ( 0.633 -0.359 -0.728) 1.030 8.621 ( -1.098 -7.591 0.357) 7.678 8.621 ( 1.098 -7.591 0.357) 7.678 8.694 ( -0.965 -6.634 -0.347) 6.713 8.694 ( 0.965 -6.634 -0.347) 6.713 9.071 ( -2.213 3.831 0.239) 4.431 9.071 ( 2.213 3.831 0.239) 4.431 9.099 ( -1.194 3.805 -0.557) 4.027 9.099 ( 1.194 3.805 -0.557) 4.027 9.460 ( -1.941 -7.347 0.597) 7.623 9.460 ( 1.941 -7.347 0.597) 7.623 9.493 ( -2.109 -7.560 -0.458) 7.862 9.493 ( 2.109 -7.560 -0.458) 7.862 9.871 ( -0.283 4.190 -0.398) 4.218 9.871 ( 0.283 4.190 -0.398) 4.218 10.014 ( -0.566 0.585 0.091) 0.819 10.014 ( 0.566 0.585 0.091) 0.819 10.547 ( -0.432 -10.433 1.483) 10.547 10.547 ( 0.432 -10.433 1.483) 10.547 10.670 ( -1.183 -11.478 -0.652) 11.557 10.670 ( 1.183 -11.478 -0.652) 11.557 10.960 ( -1.174 2.176 0.274) 2.488 10.960 ( 1.174 2.176 0.274) 2.488 10.994 ( -1.020 2.133 0.104) 2.367 10.994 ( 1.020 2.133 0.104) 2.367 11.177 ( -1.944 -3.888 -0.208) 4.352 11.177 ( 1.944 -3.888 -0.208) 4.352 11.195 ( -0.480 -3.287 -0.453) 3.352 11.195 ( 0.480 -3.287 -0.453) 3.352 13.505 ( -0.347 5.112 0.269) 5.131 13.505 ( 0.347 5.112 0.269) 5.131 13.572 ( -0.329 2.912 -0.244) 2.940 13.572 ( 0.329 2.912 -0.244) 2.940 14.409 ( -0.339 1.091 0.285) 1.177 14.409 ( 0.339 1.091 0.285) 1.177 14.546 ( -0.303 -1.715 0.294) 1.766 14.546 ( 0.303 -1.715 0.294) 1.766 14.619 ( -0.281 1.650 -0.197) 1.686 14.619 ( 0.281 1.650 -0.197) 1.686 14.630 ( -1.020 1.624 -0.175) 1.926 14.630 ( 1.020 1.624 -0.175) 1.926 14.782 ( -1.295 0.442 3.012) 3.308 14.782 ( 1.295 0.442 3.012) 3.308 14.942 ( -0.544 -2.804 -2.520) 3.809 14.942 ( 0.544 -2.804 -2.520) 3.809 15.110 ( -1.312 3.310 -1.480) 3.856 15.110 ( 1.312 3.310 -1.480) 3.856 15.213 ( -0.432 3.420 -1.158) 3.636 15.213 ( 0.432 3.420 -1.158) 3.636 15.307 ( -0.946 1.095 0.857) 1.682 15.307 ( 0.946 1.095 0.857) 1.682 15.345 ( -0.153 -0.709 -0.167) 0.745 15.345 ( 0.153 -0.709 -0.167) 0.745 18.091 ( -0.539 -0.841 0.879) 1.331 18.091 ( 0.539 -0.841 0.879) 1.331 18.114 ( -0.500 -1.163 -0.031) 1.267 18.114 ( 0.500 -1.163 -0.031) 1.267 19.411 ( -0.555 -0.332 0.249) 0.693 19.411 ( 0.555 -0.332 0.249) 0.693 19.586 ( -1.331 -3.051 0.086) 3.330 19.586 ( 1.331 -3.051 0.086) 3.330 21.865 ( -1.448 5.849 -0.151) 6.028 21.865 ( 1.448 5.849 -0.151) 6.028 22.254 ( -2.164 -1.398 1.234) 2.857 22.254 ( 2.164 -1.398 1.234) 2.857 22.454 ( -0.890 -1.120 -1.067) 1.785 22.454 ( 0.890 -1.120 -1.067) 1.785 22.671 ( -1.582 -2.097 0.005) 2.627 22.671 ( 1.582 -2.097 0.005) 2.627 24.543 ( -0.054 0.410 -0.015) 0.414 24.543 ( 0.054 0.410 -0.015) 0.414 24.551 ( -0.026 0.291 0.016) 0.293 24.551 ( 0.026 0.291 0.016) 0.293 28.149 ( -2.022 -3.851 1.251) 4.526 28.149 ( 2.022 -3.851 1.251) 4.526 28.298 ( -1.420 1.014 0.562) 1.834 28.298 ( 1.420 1.014 0.562) 1.834 28.443 ( -7.680 8.419 4.087) 12.106 28.443 ( 7.680 8.419 4.087) 12.106 28.707 ( -10.641 3.196 -6.344) 12.795 28.707 ( 10.641 3.196 -6.344) 12.795 31.473 ( -1.024 0.215 1.620) 1.928 31.473 ( 1.024 0.215 1.620) 1.928 31.724 ( -1.921 -2.160 -0.625) 2.957 31.724 ( 1.921 -2.160 -0.625) 2.957 31.878 ( -2.516 6.501 1.327) 7.096 31.878 ( 2.516 6.501 1.327) 7.096 32.019 ( -7.863 4.581 -2.739) 9.503 32.019 ( 7.863 4.581 -2.739) 9.503 33.501 ( -3.716 -2.993 0.920) 4.860 33.501 ( 3.716 -2.993 0.920) 4.860 33.548 ( -3.605 -3.225 -0.400) 4.853 33.548 ( 3.605 -3.225 -0.400) 4.853 36.623 ( -2.785 0.046 0.983) 2.954 36.623 ( 2.785 0.046 0.983) 2.954 36.728 ( -1.619 -0.363 0.607) 1.767 36.728 ( 1.619 -0.363 0.607) 1.767 36.772 ( -0.519 -1.826 -0.224) 1.912 36.772 ( 0.519 -1.826 -0.224) 1.912 37.074 ( -1.334 6.878 -2.539) 7.452 37.074 ( 1.334 6.878 -2.539) 7.452 37.309 ( -0.818 0.698 1.134) 1.563 37.309 ( 0.818 0.698 1.134) 1.563 38.521 ( -0.708 -12.342 0.304) 12.366 38.521 ( 0.708 -12.342 0.304) 12.366 ======================= Grid point 63 (25/48) ======================= q-point: ( 0.00 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( 0.000 19.371 10.122) 21.856 1.151 ( 0.000 12.200 27.648) 30.220 1.462 ( 0.000 -1.660 24.118) 24.176 1.648 ( 0.000 8.361 -11.088) 13.887 1.793 ( 0.000 -6.228 2.118) 6.578 2.032 ( 0.000 -5.969 -16.872) 17.897 2.082 ( 0.000 0.199 1.572) 1.585 2.141 ( 0.000 -1.663 7.708) 7.885 2.187 ( 0.000 -9.457 -3.901) 10.230 2.335 ( 0.000 7.317 2.527) 7.741 2.350 ( 0.000 -3.869 -10.391) 11.088 2.537 ( 0.000 -8.472 3.952) 9.348 2.643 ( 0.000 5.354 0.856) 5.422 2.695 ( 0.000 7.847 2.863) 8.353 2.804 ( 0.000 7.710 1.357) 7.829 2.843 ( 0.000 6.997 1.590) 7.175 2.873 ( 0.000 10.611 -1.058) 10.663 2.897 ( 0.000 3.760 -3.045) 4.838 3.050 ( 0.000 -1.885 -3.304) 3.804 3.215 ( 0.000 4.543 -9.135) 10.202 3.268 ( 0.000 11.008 -11.156) 15.673 3.395 ( 0.000 16.030 -9.097) 18.431 3.504 ( 0.000 10.399 8.744) 13.586 3.535 ( 0.000 15.929 4.067) 16.440 3.618 ( 0.000 2.261 -2.133) 3.109 3.697 ( 0.000 9.438 -6.030) 11.200 3.727 ( 0.000 16.147 -3.937) 16.620 3.793 ( 0.000 5.755 1.589) 5.970 3.876 ( 0.000 -4.769 5.141) 7.013 3.947 ( 0.000 3.160 4.046) 5.134 3.975 ( 0.000 5.027 1.596) 5.274 4.036 ( 0.000 -0.667 3.279) 3.347 4.154 ( 0.000 6.469 1.975) 6.764 4.231 ( 0.000 2.563 1.994) 3.247 4.291 ( 0.000 0.590 -5.019) 5.053 4.362 ( 0.000 2.163 -3.221) 3.880 4.374 ( 0.000 2.747 -2.763) 3.896 4.436 ( 0.000 -3.492 -4.187) 5.452 4.591 ( 0.000 0.630 -1.116) 1.282 4.674 ( 0.000 2.639 -3.846) 4.664 4.743 ( 0.000 -1.960 0.085) 1.962 4.750 ( 0.000 3.014 4.788) 5.657 4.812 ( 0.000 -1.714 -0.910) 1.941 4.856 ( 0.000 -3.956 -1.239) 4.145 4.962 ( 0.000 0.076 3.573) 3.574 5.006 ( 0.000 -3.165 -0.159) 3.169 5.037 ( 0.000 1.042 2.242) 2.472 5.086 ( 0.000 -0.631 5.099) 5.138 5.189 ( 0.000 5.224 -1.020) 5.323 5.259 ( 0.000 1.767 3.812) 4.202 5.290 ( 0.000 -0.127 7.463) 7.464 5.392 ( 0.000 -2.773 -1.075) 2.974 5.709 ( 0.000 9.544 1.536) 9.667 5.800 ( 0.000 3.369 -0.456) 3.400 5.943 ( 0.000 1.495 -1.946) 2.454 5.947 ( 0.000 -2.988 -3.730) 4.779 6.065 ( 0.000 3.832 5.669) 6.843 6.075 ( 0.000 3.932 -2.086) 4.451 6.157 ( 0.000 4.387 -1.310) 4.579 6.190 ( 0.000 -0.593 -0.376) 0.702 6.194 ( 0.000 -2.234 -2.726) 3.524 6.295 ( 0.000 2.093 -4.218) 4.709 6.321 ( 0.000 -2.170 0.551) 2.239 6.346 ( 0.000 -2.463 0.539) 2.522 6.440 ( 0.000 3.072 1.327) 3.346 6.508 ( 0.000 -0.641 -5.987) 6.021 6.520 ( 0.000 -1.239 3.093) 3.332 6.594 ( 0.000 -1.610 0.972) 1.881 6.772 ( 0.000 -1.573 0.605) 1.685 6.777 ( 0.000 -0.704 -0.224) 0.739 6.895 ( 0.000 -3.965 2.678) 4.785 6.984 ( 0.000 -6.827 -1.324) 6.954 8.120 ( 0.000 -1.164 -0.041) 1.165 8.142 ( 0.000 -1.971 -1.669) 2.582 8.187 ( 0.000 0.600 -0.319) 0.680 8.246 ( 0.000 -2.172 -2.608) 3.394 8.425 ( 0.000 -8.946 -1.029) 9.005 8.425 ( 0.000 -6.991 -1.324) 7.115 8.528 ( 0.000 -10.309 1.553) 10.425 8.556 ( 0.000 -10.410 0.030) 10.410 9.061 ( 0.000 2.590 1.043) 2.792 9.138 ( 0.000 0.142 -2.488) 2.492 9.183 ( 0.000 -0.998 0.680) 1.208 9.205 ( 0.000 -1.988 -0.484) 2.046 9.288 ( 0.000 -1.272 0.578) 1.397 9.313 ( 0.000 -1.417 -0.389) 1.470 9.416 ( 0.000 -2.830 2.108) 3.529 9.479 ( 0.000 -3.259 -0.852) 3.368 9.916 ( 0.000 2.457 0.687) 2.551 9.956 ( 0.000 1.999 -1.268) 2.367 10.021 ( 0.000 0.115 0.260) 0.284 10.028 ( 0.000 -1.112 0.063) 1.114 10.344 ( 0.000 -8.769 0.186) 8.771 10.358 ( 0.000 -7.985 -0.396) 7.995 10.393 ( 0.000 -10.232 1.623) 10.360 10.423 ( 0.000 -11.193 1.364) 11.276 10.921 ( 0.000 0.953 -0.725) 1.197 10.922 ( 0.000 0.284 -0.331) 0.436 10.939 ( 0.000 -0.804 -0.934) 1.232 10.946 ( 0.000 0.426 -1.445) 1.506 11.101 ( 0.000 -1.547 -0.646) 1.677 11.103 ( 0.000 -1.533 -0.714) 1.691 11.228 ( 0.000 3.692 5.149) 6.336 11.248 ( 0.000 2.690 5.320) 5.961 13.580 ( 0.000 3.974 -0.454) 4.000 13.595 ( 0.000 3.175 -0.983) 3.323 13.620 ( 0.000 2.336 0.217) 2.346 13.635 ( 0.000 1.758 -0.276) 1.780 14.437 ( 0.000 1.849 0.312) 1.875 14.462 ( 0.000 1.800 -0.972) 2.046 14.509 ( 0.000 -0.755 0.963) 1.224 14.541 ( 0.000 -1.232 -0.847) 1.495 14.644 ( 0.000 1.355 0.030) 1.355 14.650 ( 0.000 1.998 -0.288) 2.019 14.678 ( 0.000 1.314 1.092) 1.708 14.758 ( 0.000 -0.002 -1.650) 1.650 14.780 ( 0.000 0.975 1.189) 1.538 14.907 ( 0.000 -3.247 -2.713) 4.231 14.913 ( 0.000 -0.159 2.198) 2.204 14.962 ( 0.000 -1.711 -1.291) 2.143 15.206 ( 0.000 2.060 3.131) 3.748 15.225 ( 0.000 0.195 0.539) 0.574 15.241 ( 0.000 2.032 0.323) 2.057 15.281 ( 0.000 0.387 0.206) 0.438 15.282 ( 0.000 0.457 -0.765) 0.892 15.340 ( 0.000 0.564 -1.515) 1.617 15.362 ( 0.000 1.087 0.521) 1.205 15.390 ( 0.000 -2.006 -0.771) 2.149 18.066 ( 0.000 0.296 -0.047) 0.300 18.073 ( 0.000 0.019 -0.169) 0.170 18.089 ( 0.000 -0.497 0.166) 0.525 18.097 ( 0.000 -0.574 -0.022) 0.574 19.450 ( 0.000 1.395 -0.527) 1.491 19.452 ( 0.000 0.043 -0.253) 0.256 19.514 ( 0.000 -1.763 1.814) 2.529 19.553 ( 0.000 -2.044 -0.303) 2.066 22.065 ( 0.000 5.950 -2.149) 6.327 22.097 ( 0.000 1.633 -0.754) 1.798 22.125 ( 0.000 4.607 -5.417) 7.111 22.128 ( 0.000 0.114 -0.365) 0.382 22.427 ( 0.000 -1.517 5.754) 5.950 22.519 ( 0.000 -2.083 -0.262) 2.100 22.595 ( 0.000 -1.054 3.288) 3.452 22.713 ( 0.000 -3.747 -1.685) 4.109 24.549 ( 0.000 0.245 0.028) 0.247 24.549 ( 0.000 0.450 0.014) 0.450 24.553 ( 0.000 0.273 -0.018) 0.273 24.553 ( 0.000 0.066 -0.034) 0.074 28.041 ( 0.000 0.034 1.481) 1.482 28.044 ( 0.000 2.257 1.038) 2.484 28.122 ( 0.000 -1.217 3.590) 3.791 28.139 ( 0.000 -3.398 -0.633) 3.457 28.186 ( 0.000 3.525 -2.750) 4.471 28.352 ( 0.000 -5.277 -5.713) 7.777 29.355 ( 0.000 13.083 3.982) 13.676 29.595 ( 0.000 2.455 -7.050) 7.465 31.446 ( 0.000 0.517 0.247) 0.574 31.454 ( 0.000 3.743 -0.046) 3.743 31.540 ( 0.000 -3.362 2.793) 4.371 31.675 ( 0.000 -6.277 -3.125) 7.012 31.911 ( 0.000 5.990 0.368) 6.001 31.913 ( 0.000 5.387 -0.076) 5.387 32.476 ( 0.000 6.180 -1.646) 6.396 32.625 ( 0.000 0.260 -11.053) 11.056 33.264 ( 0.000 -3.002 2.924) 4.191 33.318 ( 0.000 -5.089 1.597) 5.334 33.644 ( 0.000 1.052 0.957) 1.422 33.689 ( 0.000 -0.731 -0.905) 1.164 36.523 ( 0.000 -0.008 0.918) 0.918 36.557 ( 0.000 -1.502 1.264) 1.963 36.788 ( 0.000 3.946 -2.275) 4.555 36.908 ( 0.000 3.648 1.398) 3.907 36.960 ( 0.000 -1.258 -7.839) 7.939 36.989 ( 0.000 3.189 -3.697) 4.882 37.044 ( 0.000 7.368 7.251) 10.337 37.176 ( 0.000 -1.206 4.616) 4.771 37.347 ( 0.000 -1.166 4.553) 4.700 37.495 ( 0.000 -9.543 -2.571) 9.883 37.564 ( 0.000 -3.345 10.876) 11.379 37.944 ( 0.000 -14.094 -5.244) 15.038 ======================= Grid point 64 (26/48) ======================= q-point: ( 0.17 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( 8.768 13.056 18.050) 23.940 1.282 ( 9.636 12.430 14.102) 21.124 1.479 ( 3.073 -0.216 14.217) 14.547 1.737 ( 6.689 1.162 0.354) 6.799 1.839 ( 1.661 -3.127 -1.929) 4.032 2.025 ( -1.461 -7.155 -0.568) 7.325 2.094 ( -1.160 -1.851 -4.309) 4.831 2.112 ( 2.978 1.073 0.648) 3.231 2.208 ( 1.269 -1.449 -4.314) 4.725 2.314 ( -4.727 2.845 -1.880) 5.829 2.320 ( -1.996 -1.460 -3.308) 4.130 2.513 ( 1.122 -7.590 -3.328) 8.363 2.680 ( 1.726 7.117 2.488) 7.734 2.731 ( 3.777 7.238 2.709) 8.602 2.780 ( -1.941 1.346 6.031) 6.477 2.868 ( 0.605 3.839 -3.610) 5.304 2.906 ( 1.983 11.753 -0.554) 11.932 2.952 ( 4.355 7.268 2.901) 8.956 3.046 ( -0.020 -2.574 -3.719) 4.523 3.192 ( -2.499 5.057 -4.682) 7.331 3.233 ( -2.244 19.319 -7.700) 20.918 3.389 ( 0.265 12.594 -9.795) 15.957 3.505 ( -3.042 19.913 2.097) 20.253 3.534 ( 1.787 8.534 3.962) 9.577 3.607 ( -1.699 1.699 -2.854) 3.731 3.654 ( -2.402 16.206 -3.469) 16.746 3.709 ( -0.327 5.866 -2.823) 6.518 3.766 ( -3.840 2.289 -1.328) 4.663 3.873 ( 1.581 4.852 2.301) 5.598 3.929 ( -5.358 1.007 2.711) 6.089 3.976 ( -0.932 1.484 5.400) 5.677 4.009 ( -3.148 1.660 -1.030) 3.705 4.044 ( 2.294 1.133 2.784) 3.781 4.178 ( -4.146 -2.864 -0.943) 5.126 4.272 ( -0.515 0.640 -1.306) 1.543 4.362 ( -1.711 1.353 -3.282) 3.940 4.408 ( 3.741 0.214 -2.324) 4.409 4.491 ( 3.712 -2.033 -3.831) 5.708 4.605 ( -1.620 2.108 -0.175) 2.664 4.660 ( -0.442 2.979 -2.743) 4.073 4.707 ( -2.337 3.719 3.038) 5.340 4.742 ( -0.941 -0.916 0.981) 1.639 4.784 ( -3.407 0.943 -0.313) 3.549 4.880 ( -2.479 2.801 -1.129) 3.907 4.897 ( -2.882 3.366 -1.119) 4.570 4.945 ( -6.663 3.470 -1.364) 7.635 5.020 ( -2.598 -1.385 4.207) 5.135 5.063 ( -2.752 -0.118 3.503) 4.456 5.121 ( -0.772 -2.109 2.998) 3.746 5.200 ( -3.276 1.747 2.726) 4.606 5.295 ( -2.131 -0.232 3.538) 4.137 5.317 ( -4.367 -2.337 4.031) 6.386 5.665 ( -2.956 8.407 1.427) 9.025 5.745 ( -4.803 4.220 -0.628) 6.424 5.884 ( -3.354 -0.543 -1.154) 3.589 5.934 ( -2.864 -2.556 -0.286) 3.850 6.034 ( -4.032 4.557 5.507) 8.207 6.064 ( -3.799 0.819 -2.428) 4.583 6.101 ( -3.381 -0.182 -6.453) 7.287 6.157 ( 0.401 1.271 -2.147) 2.527 6.217 ( 1.453 -0.115 -1.512) 2.101 6.301 ( -1.230 1.382 -2.881) 3.424 6.347 ( -0.462 -2.058 1.756) 2.744 6.397 ( 3.344 -2.315 0.153) 4.070 6.504 ( 3.722 3.074 -0.310) 4.837 6.527 ( 3.779 1.786 -0.055) 4.180 6.563 ( 9.009 1.357 1.835) 9.294 6.613 ( 6.483 -0.056 0.291) 6.489 6.813 ( 4.432 0.239 2.322) 5.009 6.882 ( 6.045 -1.831 -1.262) 6.442 6.976 ( 5.927 -3.353 3.090) 7.478 7.131 ( 7.102 -11.505 -3.706) 14.019 8.121 ( 0.263 -0.805 -0.141) 0.858 8.158 ( 0.791 -1.607 -2.149) 2.797 8.187 ( 0.183 -0.145 -0.384) 0.449 8.239 ( -0.587 -2.139 -2.373) 3.248 8.415 ( -0.234 -7.982 -0.365) 7.993 8.441 ( 0.809 -8.482 -1.130) 8.595 8.512 ( -1.271 -10.049 1.867) 10.300 8.550 ( -0.567 -10.649 -0.110) 10.664 9.080 ( 1.464 2.174 0.466) 2.662 9.141 ( 0.165 0.451 -2.233) 2.284 9.176 ( -0.516 -0.798 0.624) 1.137 9.200 ( -0.443 -1.662 -0.594) 1.819 9.289 ( 0.162 -1.391 0.827) 1.626 9.322 ( 0.731 -1.400 -0.529) 1.665 9.402 ( -1.306 -2.772 2.055) 3.690 9.462 ( -1.475 -3.354 -0.750) 3.740 9.932 ( 1.224 2.399 0.228) 2.702 9.955 ( -0.101 2.479 -0.792) 2.604 10.020 ( -0.112 0.050 -0.009) 0.123 10.027 ( -0.083 -0.734 -0.056) 0.740 10.343 ( -0.423 -8.558 0.652) 8.593 10.356 ( 0.170 -9.794 0.262) 9.799 10.373 ( -1.460 -9.290 1.796) 9.574 10.424 ( -0.069 -11.743 0.191) 11.744 10.933 ( 0.882 1.252 -0.990) 1.823 10.949 ( 1.347 0.701 -1.213) 1.943 10.963 ( 2.771 -0.607 0.052) 2.837 10.978 ( 2.972 -1.055 -0.343) 3.173 11.078 ( -1.231 -0.766 0.159) 1.458 11.111 ( -0.165 -1.963 -1.096) 2.254 11.182 ( -3.168 3.481 4.529) 6.532 11.213 ( -2.403 1.438 3.362) 4.375 13.585 ( 0.465 3.954 -0.405) 4.002 13.598 ( 0.332 3.311 -0.753) 3.412 13.621 ( 0.165 2.471 0.358) 2.503 13.638 ( 0.169 1.972 -0.259) 1.996 14.437 ( 0.037 1.904 0.365) 1.939 14.460 ( -0.256 1.868 -0.678) 2.004 14.509 ( 0.096 -1.091 0.746) 1.325 14.533 ( -0.635 -1.317 -0.386) 1.513 14.633 ( -0.829 1.473 -0.010) 1.691 14.649 ( 0.081 1.446 -0.380) 1.497 14.673 ( -0.488 1.196 0.633) 1.439 14.732 ( -1.999 -0.377 0.387) 2.070 14.779 ( 0.014 1.728 0.152) 1.735 14.874 ( -1.936 -0.337 0.465) 2.019 14.907 ( -1.069 -2.265 -0.754) 2.616 14.950 ( -1.180 -2.005 -1.940) 3.029 15.191 ( -0.906 2.996 2.046) 3.739 15.217 ( -0.423 1.606 1.269) 2.090 15.267 ( 1.506 1.762 -0.053) 2.318 15.274 ( -0.302 0.222 -0.413) 0.558 15.288 ( 0.510 -0.290 -0.486) 0.762 15.326 ( -1.116 1.616 -1.397) 2.411 15.361 ( -0.231 0.842 0.304) 0.925 15.377 ( -1.005 -1.304 -0.432) 1.702 18.067 ( 0.012 -0.184 0.179) 0.257 18.072 ( -0.001 -0.282 -0.028) 0.284 18.089 ( -0.097 -0.621 0.288) 0.692 18.096 ( 0.006 -0.710 -0.070) 0.714 19.439 ( -0.878 1.060 -0.337) 1.418 19.444 ( -0.704 0.461 -0.355) 0.914 19.509 ( -0.378 -2.181 1.660) 2.767 19.550 ( -0.456 -2.886 -0.366) 2.945 22.036 ( -2.745 6.086 -1.148) 6.775 22.057 ( -0.907 6.338 -2.001) 6.708 22.128 ( 1.878 0.267 0.949) 2.121 22.204 ( 2.525 -1.332 -3.618) 4.609 22.424 ( -0.144 -0.867 4.303) 4.392 22.513 ( -0.763 -0.805 -1.048) 1.526 22.583 ( -0.757 -2.257 3.233) 4.015 22.692 ( -1.738 -3.846 -1.623) 4.521 24.549 ( 0.068 0.273 0.024) 0.282 24.550 ( 0.072 0.434 0.015) 0.440 24.553 ( 0.051 0.121 -0.012) 0.132 24.554 ( 0.095 0.248 -0.019) 0.266 28.029 ( 0.726 1.268 1.346) 1.986 28.078 ( 1.543 -0.054 -0.929) 1.802 28.134 ( 2.812 0.065 2.572) 3.812 28.195 ( 3.324 -2.095 -0.390) 3.949 28.273 ( 6.290 1.412 0.180) 6.449 28.386 ( 3.381 -3.754 -4.677) 6.885 29.234 ( -10.619 12.823 3.490) 17.011 29.442 ( -12.789 4.108 -5.765) 14.617 31.458 ( 1.043 0.699 0.369) 1.309 31.464 ( 0.873 3.624 0.055) 3.728 31.561 ( 1.782 -3.470 2.359) 4.559 31.680 ( 0.270 -5.898 -2.726) 6.503 31.922 ( 1.168 5.800 0.436) 5.932 31.935 ( 1.912 5.680 -0.099) 5.994 32.368 ( -8.742 8.227 -0.210) 12.007 32.509 ( -8.973 1.626 -7.380) 11.731 33.280 ( 1.685 -3.245 2.141) 4.237 33.322 ( 0.978 -4.660 0.824) 4.832 33.619 ( -2.544 -0.384 0.709) 2.668 33.655 ( -3.000 -1.472 -0.756) 3.426 36.527 ( 0.674 0.211 1.647) 1.792 36.567 ( 0.898 -1.676 1.375) 2.346 36.783 ( -0.269 4.062 -1.904) 4.494 36.841 ( -4.957 2.286 1.266) 5.604 36.896 ( -5.097 2.616 -0.724) 5.775 36.950 ( -1.589 -1.400 -7.150) 7.457 37.081 ( -1.269 -0.242 4.831) 5.000 37.166 ( 0.045 2.185 1.792) 2.826 37.302 ( 0.402 1.181 5.880) 6.011 37.458 ( 1.088 7.350 -3.047) 8.031 37.845 ( 14.912 -16.803 4.577) 22.927 38.030 ( 6.340 -15.180 -3.130) 16.746 ======================= Grid point 65 (27/48) ======================= q-point: ( 0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( 9.548 6.804 7.542) 13.940 1.524 ( 12.239 8.791 15.284) 21.464 1.564 ( 3.981 0.631 4.237) 5.848 1.786 ( -3.664 -3.393 0.080) 4.994 1.888 ( 2.916 1.881 0.872) 3.577 1.966 ( -4.433 0.378 6.051) 7.511 2.123 ( 1.572 -4.302 -7.191) 8.526 2.143 ( -0.152 -1.439 -0.175) 1.458 2.157 ( -3.457 -0.080 -2.251) 4.126 2.235 ( -1.969 1.168 0.623) 2.373 2.296 ( -0.904 -2.003 -3.918) 4.492 2.542 ( -1.870 -8.913 -0.140) 9.109 2.692 ( -0.201 10.832 4.774) 11.839 2.725 ( -2.038 3.124 6.886) 7.831 2.815 ( 2.461 2.689 -0.365) 3.663 2.877 ( -0.470 5.037 -1.659) 5.324 2.923 ( 0.539 3.703 0.577) 3.787 2.986 ( -1.199 4.183 -0.975) 4.460 3.064 ( 0.466 0.969 -4.037) 4.178 3.144 ( -0.635 2.533 -0.031) 2.611 3.210 ( 0.625 27.461 -6.057) 28.128 3.366 ( -4.572 14.929 -6.136) 16.776 3.447 ( 1.902 16.303 -4.041) 16.904 3.554 ( 1.777 11.863 -1.357) 12.072 3.575 ( -1.248 12.058 0.204) 12.124 3.634 ( 2.735 2.917 2.553) 4.744 3.719 ( -0.862 1.874 -4.796) 5.221 3.790 ( 4.266 4.040 -1.356) 6.030 3.799 ( 2.052 5.553 1.614) 6.136 3.909 ( -3.676 0.687 3.379) 5.040 3.988 ( 4.087 0.967 0.556) 4.237 4.088 ( 6.320 0.295 2.159) 6.685 4.104 ( 1.865 4.667 0.636) 5.066 4.150 ( 2.643 -3.422 -1.324) 4.522 4.227 ( -3.300 3.202 -2.356) 5.166 4.334 ( -0.876 2.873 -3.911) 4.932 4.433 ( -7.390 4.312 -4.190) 9.527 4.533 ( 3.748 -1.403 1.004) 4.127 4.559 ( -3.592 1.836 1.068) 4.173 4.584 ( -10.628 7.194 -1.531) 12.925 4.620 ( -4.827 -0.765 -3.281) 5.886 4.666 ( -0.052 -1.992 -1.798) 2.684 4.703 ( -2.238 5.106 2.891) 6.280 4.766 ( -2.478 2.058 -3.993) 5.131 4.814 ( -0.008 3.132 5.328) 6.180 4.918 ( -2.586 5.137 1.571) 5.962 4.946 ( -3.591 -1.046 2.699) 4.612 5.004 ( -2.835 -1.505 4.448) 5.485 5.101 ( -1.120 -1.512 -0.611) 1.978 5.168 ( -1.251 0.325 1.739) 2.167 5.209 ( -2.008 0.067 2.912) 3.538 5.270 ( -1.351 -1.496 1.491) 2.507 5.616 ( -1.745 5.193 1.261) 5.622 5.646 ( -3.319 3.137 -0.080) 4.567 5.790 ( -4.880 -1.297 0.731) 5.102 5.812 ( -6.945 -2.275 -0.029) 7.309 5.967 ( -0.414 2.893 0.418) 2.952 6.026 ( -0.721 1.914 3.500) 4.054 6.041 ( -0.947 -0.106 -1.015) 1.392 6.176 ( -0.860 1.578 -0.540) 1.876 6.201 ( -1.517 -2.088 -1.078) 2.797 6.272 ( -1.229 1.666 -4.737) 5.170 6.293 ( -1.626 -1.020 -2.382) 3.058 6.375 ( -3.118 -3.547 -1.132) 4.856 6.686 ( 8.633 3.727 0.464) 9.415 6.695 ( 9.012 3.958 0.298) 9.847 6.767 ( 7.999 0.838 0.621) 8.066 6.807 ( 7.645 0.248 -0.588) 7.671 6.924 ( 5.914 -0.250 2.737) 6.522 7.001 ( 4.595 -2.371 -1.255) 5.321 7.073 ( 2.406 -3.627 2.645) 5.093 7.189 ( -1.435 -8.828 -2.270) 9.227 8.130 ( 0.515 -0.232 -0.547) 0.786 8.157 ( -0.581 0.008 -1.652) 1.751 8.200 ( 0.705 -1.934 -1.232) 2.399 8.225 ( -0.665 -2.096 -1.827) 2.859 8.417 ( 0.489 -8.288 0.767) 8.338 8.456 ( 0.092 -8.766 -0.409) 8.776 8.485 ( -0.607 -10.200 1.789) 10.374 8.530 ( -1.242 -10.788 -0.208) 10.861 9.110 ( 1.142 1.836 -0.214) 2.173 9.139 ( -0.332 1.130 -1.312) 1.763 9.165 ( -0.349 0.124 0.372) 0.525 9.187 ( -0.793 -0.508 -0.617) 1.126 9.297 ( 0.666 -2.366 1.178) 2.725 9.340 ( 0.871 -2.094 -0.656) 2.361 9.364 ( -1.909 -2.820 1.779) 3.842 9.419 ( -2.325 -3.461 -0.648) 4.220 9.949 ( 0.073 3.002 -0.299) 3.018 9.957 ( 0.215 3.076 -0.395) 3.109 10.017 ( 0.015 0.034 -0.222) 0.225 10.025 ( -0.131 -0.140 -0.243) 0.310 10.326 ( -0.756 -9.060 1.471) 9.209 10.338 ( -1.308 -9.297 2.328) 9.673 10.375 ( 1.121 -11.326 -0.292) 11.385 10.418 ( -0.519 -12.190 -0.757) 12.225 10.958 ( 1.473 1.049 0.029) 1.808 10.977 ( 1.367 0.325 -0.763) 1.599 11.022 ( 0.366 0.158 1.551) 1.601 11.046 ( 2.077 -1.517 0.648) 2.652 11.066 ( 0.915 -0.009 -0.990) 1.348 11.091 ( 0.104 -0.598 -0.936) 1.116 11.144 ( -0.491 -0.460 1.506) 1.650 11.170 ( -1.540 -1.007 1.055) 2.121 13.599 ( 0.674 3.979 -0.135) 4.038 13.608 ( 0.439 3.788 -0.199) 3.818 13.627 ( 0.307 2.546 0.211) 2.573 13.640 ( -0.039 2.360 -0.228) 2.372 14.437 ( -0.004 1.878 0.400) 1.920 14.451 ( -0.571 1.755 -0.061) 1.847 14.511 ( -0.016 -1.447 0.361) 1.491 14.519 ( -0.578 -1.507 0.239) 1.631 14.626 ( 0.442 0.979 0.524) 1.195 14.648 ( -0.205 0.541 -0.642) 0.865 14.661 ( -0.287 1.647 0.398) 1.719 14.693 ( -1.662 0.602 0.335) 1.799 14.782 ( 0.338 1.370 0.585) 1.528 14.833 ( -1.825 0.976 0.991) 2.295 14.881 ( -0.840 -2.883 -1.827) 3.515 14.915 ( -1.820 -2.382 -2.565) 3.945 15.180 ( -0.044 3.787 1.073) 3.937 15.204 ( -0.816 2.809 1.030) 3.101 15.268 ( 0.007 1.602 -0.492) 1.676 15.293 ( -0.728 0.141 -1.320) 1.514 15.300 ( 1.267 0.956 -0.213) 1.601 15.313 ( 0.702 1.022 -0.173) 1.252 15.351 ( -0.834 0.108 0.121) 0.849 15.354 ( -0.956 0.241 0.108) 0.991 18.067 ( 0.079 -0.576 0.413) 0.713 18.076 ( 0.360 -0.929 -0.005) 0.996 18.083 ( -0.390 -0.727 0.491) 0.960 18.095 ( -0.212 -1.070 -0.064) 1.092 19.420 ( -0.712 0.927 -0.110) 1.174 19.425 ( -0.835 0.575 -0.148) 1.025 19.503 ( -0.032 -2.967 0.980) 3.125 19.533 ( -1.031 -3.712 -0.311) 3.865 22.002 ( -0.427 7.181 0.158) 7.195 22.034 ( -1.211 6.706 -1.193) 6.918 22.173 ( 2.052 -1.505 1.132) 2.785 22.229 ( -0.092 -2.916 -1.262) 3.179 22.428 ( 0.564 0.322 1.452) 1.591 22.483 ( -1.738 1.106 -1.121) 2.345 22.579 ( 0.546 -4.010 1.773) 4.418 22.647 ( -2.225 -4.049 -1.134) 4.757 24.551 ( 0.077 0.355 0.006) 0.363 24.552 ( 0.063 0.409 0.001) 0.414 24.555 ( 0.087 0.169 0.025) 0.192 24.556 ( 0.070 0.250 -0.012) 0.260 28.068 ( 2.488 1.211 1.323) 3.067 28.118 ( 1.411 0.272 -0.899) 1.694 28.208 ( 3.482 -2.274 1.293) 4.355 28.256 ( 1.707 -3.755 -0.226) 4.131 28.419 ( 7.624 4.606 1.554) 9.041 28.520 ( 9.265 -0.017 -3.108) 9.773 28.941 ( -15.086 11.527 2.728) 19.181 29.114 ( -16.256 4.126 -4.495) 17.363 31.482 ( 1.047 1.811 0.479) 2.146 31.487 ( 1.022 2.576 0.353) 2.794 31.607 ( 2.280 -3.731 1.053) 4.497 31.678 ( -0.611 -5.012 -1.801) 5.360 31.962 ( 2.614 6.337 0.862) 6.909 31.999 ( 4.132 5.290 -0.595) 6.739 32.175 ( -7.889 8.797 1.535) 11.916 32.301 ( -9.465 2.760 -3.968) 10.628 33.339 ( 3.648 -3.408 1.188) 5.132 33.371 ( 3.466 -4.485 -0.163) 5.670 33.538 ( -4.649 -2.001 0.732) 5.115 33.569 ( -4.699 -2.938 -0.601) 5.575 36.559 ( 2.248 0.024 1.999) 3.008 36.600 ( 2.305 -1.933 0.995) 3.169 36.727 ( -5.107 0.329 0.558) 5.147 36.769 ( -3.759 -0.994 -2.080) 4.409 36.802 ( -0.514 4.807 0.086) 4.835 36.895 ( -3.065 3.511 -0.806) 4.729 37.063 ( 0.194 -4.342 -0.534) 4.379 37.126 ( -2.417 -3.760 -0.485) 4.496 37.389 ( 5.017 11.884 2.967) 13.237 37.486 ( 0.732 12.104 -1.634) 12.236 38.097 ( 7.861 -19.087 1.473) 20.695 38.153 ( 4.182 -16.676 -0.922) 17.217 ======================= Grid point 66 (28/48) ======================= q-point: (-0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( -2.749 3.253 5.336) 6.827 1.593 ( 2.749 3.253 5.336) 6.827 1.763 ( -10.668 2.428 -0.557) 10.955 1.763 ( 10.668 2.428 -0.557) 10.955 1.827 ( -8.259 4.319 3.497) 9.955 1.827 ( 8.259 4.319 3.497) 9.955 2.132 ( -3.604 -1.349 0.306) 3.861 2.132 ( 3.604 -1.349 0.306) 3.861 2.178 ( -2.165 -1.949 -3.654) 4.673 2.178 ( 2.165 -1.949 -3.654) 4.673 2.382 ( -10.163 -7.287 8.488) 15.114 2.382 ( 10.163 -7.287 8.488) 15.114 2.696 ( -2.124 5.945 2.955) 6.971 2.696 ( 2.124 5.945 2.955) 6.971 2.846 ( -2.506 3.483 -0.461) 4.316 2.846 ( 2.506 3.483 -0.461) 4.316 2.964 ( -2.907 2.667 -3.262) 5.119 2.964 ( 2.907 2.667 -3.262) 5.119 3.094 ( -3.521 2.819 -2.071) 4.963 3.094 ( 3.521 2.819 -2.071) 4.963 3.269 ( -4.058 21.223 -4.212) 22.014 3.269 ( 4.058 21.223 -4.212) 22.014 3.508 ( -2.652 13.381 -5.697) 14.783 3.508 ( 2.652 13.381 -5.697) 14.783 3.682 ( -3.742 2.373 -1.487) 4.673 3.682 ( 3.742 2.373 -1.487) 4.673 3.748 ( -8.495 4.957 6.510) 11.795 3.748 ( 8.495 4.957 6.510) 11.795 3.907 ( -1.413 6.208 -0.394) 6.379 3.907 ( 1.413 6.208 -0.394) 6.379 4.058 ( -4.224 6.942 1.891) 8.343 4.058 ( 4.224 6.942 1.891) 8.343 4.124 ( -5.044 2.557 -1.306) 5.803 4.124 ( 5.044 2.557 -1.306) 5.803 4.300 ( -4.611 3.055 -5.781) 8.001 4.300 ( 4.611 3.055 -5.781) 8.001 4.393 ( -7.309 -1.069 -0.479) 7.403 4.393 ( 7.309 -1.069 -0.479) 7.403 4.496 ( -4.214 0.906 -4.170) 5.997 4.496 ( 4.214 0.906 -4.170) 5.997 4.618 ( -2.745 4.250 1.033) 5.164 4.618 ( 2.745 4.250 1.033) 5.164 4.771 ( -4.616 0.040 4.724) 6.605 4.771 ( 4.616 0.040 4.724) 6.605 4.825 ( -3.951 1.647 0.871) 4.368 4.825 ( 3.951 1.647 0.871) 4.368 4.927 ( -3.900 -1.662 2.397) 4.870 4.927 ( 3.900 -1.662 2.397) 4.870 5.112 ( -2.166 2.601 1.085) 3.555 5.112 ( 2.166 2.601 1.085) 3.555 5.238 ( -2.148 -2.820 -0.936) 3.667 5.238 ( 2.148 -2.820 -0.936) 3.667 5.597 ( -0.913 2.608 1.069) 2.963 5.597 ( 0.913 2.608 1.069) 2.963 5.729 ( -0.015 -0.200 0.296) 0.358 5.729 ( 0.015 -0.200 0.296) 0.358 5.989 ( -1.834 2.816 2.956) 4.476 5.989 ( 1.834 2.816 2.956) 4.476 6.089 ( -4.330 -3.228 2.372) 5.899 6.089 ( 4.330 -3.228 2.372) 5.899 6.226 ( -2.104 3.039 -3.783) 5.289 6.226 ( 2.104 3.039 -3.783) 5.289 6.314 ( -2.293 -2.328 -3.926) 5.108 6.314 ( 2.293 -2.328 -3.926) 5.108 6.796 ( -0.543 3.661 0.530) 3.739 6.796 ( 0.543 3.661 0.530) 3.739 6.874 ( -1.444 0.370 -1.091) 1.848 6.874 ( 1.444 0.370 -1.091) 1.848 7.040 ( -2.835 -1.815 1.390) 3.642 7.040 ( 2.835 -1.815 1.390) 3.642 7.116 ( -3.700 -4.765 0.482) 6.052 7.116 ( 3.700 -4.765 0.482) 6.052 8.143 ( -0.666 0.084 -1.137) 1.320 8.143 ( 0.666 0.084 -1.137) 1.320 8.212 ( -0.511 -2.047 -1.438) 2.553 8.212 ( 0.511 -2.047 -1.438) 2.553 8.436 ( -1.190 -8.581 1.265) 8.755 8.436 ( 1.190 -8.581 1.265) 8.755 8.501 ( -1.361 -10.647 0.030) 10.733 8.501 ( 1.361 -10.647 0.030) 10.733 9.128 ( -0.650 1.471 -0.472) 1.676 9.128 ( 0.650 1.471 -0.472) 1.676 9.169 ( -0.685 0.721 -0.263) 1.029 9.169 ( 0.685 0.721 -0.263) 1.029 9.321 ( -1.500 -3.089 1.394) 3.706 9.321 ( 1.500 -3.089 1.394) 3.706 9.373 ( -1.779 -3.083 -0.649) 3.618 9.373 ( 1.779 -3.083 -0.649) 3.618 9.952 ( -0.368 3.416 -0.361) 3.455 9.952 ( 0.368 3.416 -0.361) 3.455 10.021 ( -0.223 0.004 -0.306) 0.379 10.021 ( 0.223 0.004 -0.306) 0.379 10.320 ( -0.278 -9.264 1.924) 9.466 10.320 ( 0.278 -9.264 1.924) 9.466 10.400 ( -1.091 -12.258 -0.643) 12.323 10.400 ( 1.091 -12.258 -0.643) 12.323 10.993 ( -1.384 0.992 0.433) 1.756 10.993 ( 1.384 0.992 0.433) 1.756 11.018 ( -1.612 0.017 0.087) 1.615 11.018 ( 1.612 0.017 0.087) 1.615 11.117 ( -0.599 -1.278 0.090) 1.415 11.117 ( 0.599 -1.278 0.090) 1.415 11.138 ( -0.882 -1.917 -0.069) 2.111 11.138 ( 0.882 -1.917 -0.069) 2.111 13.610 ( -0.281 4.100 0.161) 4.113 13.610 ( 0.281 4.100 0.161) 4.113 13.635 ( -0.396 2.493 -0.185) 2.531 13.635 ( 0.396 2.493 -0.185) 2.531 14.440 ( -0.317 1.728 0.301) 1.782 14.440 ( 0.317 1.728 0.301) 1.782 14.511 ( -0.148 -1.589 0.363) 1.637 14.511 ( 0.148 -1.589 0.363) 1.637 14.647 ( -0.538 1.000 0.186) 1.150 14.647 ( 0.538 1.000 0.186) 1.150 14.659 ( -0.768 0.823 0.010) 1.126 14.659 ( 0.768 0.823 0.010) 1.126 14.799 ( -1.246 1.199 0.874) 1.938 14.799 ( 1.246 1.199 0.874) 1.938 14.883 ( -0.951 -2.665 -2.426) 3.728 14.883 ( 0.951 -2.665 -2.426) 3.728 15.187 ( -0.619 3.669 0.787) 3.804 15.187 ( 0.619 3.669 0.787) 3.804 15.275 ( -0.645 1.533 -0.941) 1.911 15.275 ( 0.645 1.533 -0.941) 1.911 15.325 ( -0.938 -0.129 0.212) 0.970 15.325 ( 0.938 -0.129 0.212) 0.970 15.336 ( -0.723 0.751 -0.046) 1.043 15.336 ( 0.723 0.751 -0.046) 1.043 18.073 ( -0.449 -0.701 0.547) 0.996 18.073 ( 0.449 -0.701 0.547) 0.996 18.087 ( -0.488 -1.227 -0.081) 1.323 18.087 ( 0.488 -1.227 -0.081) 1.323 19.413 ( -0.175 0.730 0.022) 0.751 19.413 ( 0.175 0.730 0.022) 0.751 19.511 ( -0.764 -3.608 0.144) 3.691 19.511 ( 0.764 -3.608 0.144) 3.691 22.009 ( -0.934 7.037 -0.189) 7.102 22.009 ( 0.934 7.037 -0.189) 7.102 22.211 ( -1.385 -2.742 0.486) 3.111 22.211 ( 1.385 -2.742 0.486) 3.111 22.449 ( -1.326 1.138 -0.274) 1.768 22.449 ( 1.326 1.138 -0.274) 1.768 22.604 ( -1.662 -4.199 -0.008) 4.516 22.604 ( 1.662 -4.199 -0.008) 4.516 24.552 ( -0.011 0.406 -0.005) 0.406 24.552 ( 0.011 0.406 -0.005) 0.406 24.557 ( -0.034 0.216 0.015) 0.219 24.557 ( 0.034 0.216 0.015) 0.219 28.117 ( -1.522 0.740 0.589) 1.792 28.117 ( 1.522 0.740 0.589) 1.792 28.262 ( -1.166 -3.905 0.395) 4.095 28.262 ( 1.166 -3.905 0.395) 4.095 28.633 ( -12.361 8.720 2.024) 15.262 28.633 ( 12.361 8.720 2.024) 15.262 28.778 ( -14.120 2.313 -3.585) 14.750 28.778 ( 14.120 2.313 -3.585) 14.750 31.497 ( -0.158 2.210 0.536) 2.280 31.497 ( 0.158 2.210 0.536) 2.280 31.652 ( -1.741 -4.200 -0.561) 4.581 31.652 ( 1.741 -4.200 -0.561) 4.581 32.039 ( -4.600 7.516 1.354) 8.915 32.039 ( 4.600 7.516 1.354) 8.915 32.121 ( -6.921 4.046 -1.729) 8.201 32.121 ( 6.921 4.046 -1.729) 8.201 33.431 ( -4.353 -2.957 0.654) 5.303 33.431 ( 4.353 -2.957 0.654) 5.303 33.465 ( -4.358 -4.076 -0.301) 5.975 33.465 ( 4.358 -4.076 -0.301) 5.975 36.623 ( -3.537 0.154 1.254) 3.756 36.623 ( 3.537 0.154 1.254) 3.756 36.674 ( -3.755 -2.527 -0.131) 4.529 36.674 ( 3.755 -2.527 -0.131) 4.529 36.834 ( -2.408 5.108 0.236) 5.652 36.834 ( 2.408 5.108 0.236) 5.652 37.083 ( -1.502 -4.731 -1.863) 5.302 37.083 ( 1.502 -4.731 -1.863) 5.302 37.471 ( -2.279 13.637 0.609) 13.840 37.471 ( 2.279 13.637 0.609) 13.840 38.190 ( -1.056 -17.989 0.210) 18.022 38.190 ( 1.056 -17.989 0.210) 18.022 ======================= Grid point 70 (29/48) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( 0.000 -6.586 22.532) 23.474 1.374 ( 0.000 6.586 22.532) 23.474 1.513 ( 0.000 -15.907 8.587) 18.076 1.513 ( 0.000 15.907 8.587) 18.076 1.840 ( 0.000 -9.226 -13.608) 16.441 1.840 ( 0.000 9.226 -13.608) 16.441 2.052 ( 0.000 -2.528 0.424) 2.563 2.052 ( 0.000 2.528 0.424) 2.563 2.230 ( 0.000 -6.354 -8.956) 10.981 2.230 ( 0.000 6.354 -8.956) 10.981 2.414 ( 0.000 -3.242 3.236) 4.580 2.414 ( 0.000 3.242 3.236) 4.580 2.766 ( 0.000 -0.470 3.794) 3.823 2.766 ( 0.000 0.470 3.794) 3.823 2.853 ( 0.000 -3.721 1.679) 4.082 2.853 ( 0.000 3.721 1.679) 4.082 2.997 ( 0.000 -2.027 -2.950) 3.579 2.997 ( 0.000 2.027 -2.950) 3.579 3.074 ( 0.000 -9.052 -10.101) 13.563 3.074 ( 0.000 9.052 -10.101) 13.563 3.552 ( 0.000 -5.704 -5.339) 7.813 3.552 ( 0.000 5.704 -5.339) 7.813 3.615 ( 0.000 -2.943 -1.683) 3.390 3.615 ( 0.000 2.943 -1.683) 3.390 3.710 ( 0.000 -8.936 7.281) 11.527 3.710 ( 0.000 8.936 7.281) 11.527 3.888 ( 0.000 -1.477 2.118) 2.582 3.888 ( 0.000 1.477 2.118) 2.582 3.958 ( 0.000 -0.516 2.124) 2.186 3.958 ( 0.000 0.516 2.124) 2.186 4.074 ( 0.000 -4.214 1.793) 4.580 4.074 ( 0.000 4.214 1.793) 4.580 4.278 ( 0.000 -1.017 1.168) 1.549 4.278 ( 0.000 1.017 1.168) 1.549 4.372 ( 0.000 -1.569 -4.106) 4.396 4.372 ( 0.000 1.569 -4.106) 4.396 4.419 ( 0.000 -3.259 -1.218) 3.479 4.419 ( 0.000 3.259 -1.218) 3.479 4.601 ( 0.000 -1.112 0.385) 1.177 4.601 ( 0.000 1.112 0.385) 1.177 4.728 ( 0.000 -1.529 -3.014) 3.380 4.728 ( 0.000 1.529 -3.014) 3.380 4.849 ( 0.000 -2.175 -1.259) 2.513 4.849 ( 0.000 2.175 -1.259) 2.513 4.922 ( 0.000 -1.758 1.316) 2.196 4.922 ( 0.000 1.758 1.316) 2.196 5.073 ( 0.000 -0.908 4.701) 4.787 5.073 ( 0.000 0.908 4.701) 4.787 5.276 ( 0.000 -0.686 2.377) 2.474 5.276 ( 0.000 0.686 2.377) 2.474 5.307 ( 0.000 -4.010 1.147) 4.171 5.307 ( 0.000 4.010 1.147) 4.171 5.856 ( 0.000 -0.001 -2.297) 2.297 5.856 ( 0.000 0.001 -2.297) 2.297 5.909 ( 0.000 -2.451 0.236) 2.463 5.909 ( 0.000 2.451 0.236) 2.463 6.117 ( 0.000 -0.238 -5.377) 5.382 6.117 ( 0.000 0.238 -5.377) 5.382 6.196 ( 0.000 -0.685 -1.642) 1.779 6.196 ( 0.000 0.685 -1.642) 1.779 6.251 ( 0.000 -5.676 4.104) 7.004 6.251 ( 0.000 5.676 4.104) 7.004 6.308 ( 0.000 -0.854 0.152) 0.868 6.308 ( 0.000 0.854 0.152) 0.868 6.477 ( 0.000 -1.629 0.595) 1.734 6.477 ( 0.000 1.629 0.595) 1.734 6.540 ( 0.000 -2.405 1.100) 2.645 6.540 ( 0.000 2.405 1.100) 2.645 6.763 ( 0.000 -0.508 0.289) 0.585 6.763 ( 0.000 0.508 0.289) 0.585 6.885 ( 0.000 -2.276 -0.912) 2.452 6.885 ( 0.000 2.276 -0.912) 2.452 8.110 ( 0.000 -0.634 -1.209) 1.365 8.110 ( 0.000 0.634 -1.209) 1.365 8.200 ( 0.000 -1.367 -2.953) 3.254 8.200 ( 0.000 1.367 -2.953) 3.254 8.338 ( 0.000 -0.701 0.292) 0.759 8.338 ( 0.000 0.701 0.292) 0.759 8.403 ( 0.000 -0.947 0.720) 1.190 8.403 ( 0.000 0.947 0.720) 1.190 9.107 ( 0.000 -2.069 -0.064) 2.070 9.107 ( 0.000 2.069 -0.064) 2.070 9.168 ( 0.000 -0.596 -0.146) 0.613 9.168 ( 0.000 0.596 -0.146) 0.613 9.296 ( 0.000 -0.788 -0.333) 0.855 9.296 ( 0.000 0.788 -0.333) 0.855 9.425 ( 0.000 -2.204 0.614) 2.288 9.425 ( 0.000 2.204 0.614) 2.288 9.970 ( 0.000 -1.760 -0.443) 1.815 9.970 ( 0.000 1.760 -0.443) 1.815 10.017 ( 0.000 -0.102 0.593) 0.602 10.017 ( 0.000 0.102 0.593) 0.602 10.259 ( 0.000 -1.658 0.475) 1.725 10.259 ( 0.000 1.658 0.475) 1.725 10.273 ( 0.000 -1.589 0.484) 1.661 10.273 ( 0.000 1.589 0.484) 1.661 10.925 ( 0.000 -0.109 -0.119) 0.161 10.925 ( 0.000 0.109 -0.119) 0.161 10.945 ( 0.000 -0.496 -1.822) 1.888 10.945 ( 0.000 0.496 -1.822) 1.888 11.084 ( 0.000 -0.109 -1.160) 1.165 11.084 ( 0.000 0.109 -1.160) 1.165 11.272 ( 0.000 -0.404 6.273) 6.286 11.272 ( 0.000 0.404 6.273) 6.286 13.627 ( 0.000 -0.296 -1.067) 1.108 13.627 ( 0.000 0.296 -1.067) 1.108 13.651 ( 0.000 -0.425 0.206) 0.472 13.651 ( 0.000 0.425 0.206) 0.472 14.472 ( 0.000 -1.249 0.139) 1.256 14.472 ( 0.000 1.249 0.139) 1.256 14.513 ( 0.000 -1.390 -0.799) 1.603 14.513 ( 0.000 1.390 -0.799) 1.603 14.666 ( 0.000 -0.549 0.004) 0.549 14.666 ( 0.000 0.549 0.004) 0.549 14.717 ( 0.000 -2.503 1.273) 2.808 14.717 ( 0.000 2.503 1.273) 2.808 14.836 ( 0.000 -3.244 -2.022) 3.823 14.836 ( 0.000 3.244 -2.022) 3.823 14.926 ( 0.000 -1.370 0.699) 1.538 14.926 ( 0.000 1.370 0.699) 1.538 15.236 ( 0.000 -0.615 -0.114) 0.625 15.236 ( 0.000 0.615 -0.114) 0.625 15.256 ( 0.000 -1.904 0.499) 1.968 15.256 ( 0.000 1.904 0.499) 1.968 15.333 ( 0.000 -3.195 0.896) 3.318 15.333 ( 0.000 3.195 0.896) 3.318 15.366 ( 0.000 -0.889 -0.507) 1.023 15.366 ( 0.000 0.889 -0.507) 1.023 18.072 ( 0.000 -0.202 0.143) 0.248 18.072 ( 0.000 0.202 0.143) 0.248 18.086 ( 0.000 -0.288 -0.136) 0.318 18.086 ( 0.000 0.288 -0.136) 0.318 19.460 ( 0.000 -0.537 -0.021) 0.537 19.460 ( 0.000 0.537 -0.021) 0.537 19.512 ( 0.000 -1.582 0.100) 1.585 19.512 ( 0.000 1.582 0.100) 1.585 22.118 ( 0.000 -0.501 -0.022) 0.501 22.118 ( 0.000 0.501 -0.022) 0.501 22.156 ( 0.000 -1.655 -3.398) 3.780 22.156 ( 0.000 1.655 -3.398) 3.780 22.453 ( 0.000 -3.339 3.527) 4.857 22.453 ( 0.000 3.339 3.527) 4.857 22.629 ( 0.000 -3.672 -0.387) 3.692 22.629 ( 0.000 3.672 -0.387) 3.692 24.552 ( 0.000 -0.106 0.003) 0.106 24.552 ( 0.000 0.106 0.003) 0.106 24.555 ( 0.000 -0.081 -0.013) 0.082 24.555 ( 0.000 0.081 -0.013) 0.082 28.054 ( 0.000 -0.676 -0.090) 0.682 28.054 ( 0.000 0.676 -0.090) 0.682 28.111 ( 0.000 -0.162 2.092) 2.098 28.111 ( 0.000 0.162 2.092) 2.098 28.258 ( 0.000 -3.624 -3.921) 5.339 28.258 ( 0.000 3.624 -3.921) 5.339 29.556 ( 0.000 -5.895 -0.024) 5.895 29.556 ( 0.000 5.895 -0.024) 5.895 31.478 ( 0.000 -2.393 1.385) 2.765 31.478 ( 0.000 2.393 1.385) 2.765 31.551 ( 0.000 -5.387 -1.634) 5.630 31.551 ( 0.000 5.387 -1.634) 5.630 31.980 ( 0.000 -0.126 0.429) 0.447 31.980 ( 0.000 0.126 0.429) 0.447 32.578 ( 0.000 -3.795 -4.957) 6.243 32.578 ( 0.000 3.795 -4.957) 6.243 33.243 ( 0.000 -1.466 2.695) 3.068 33.243 ( 0.000 1.466 2.695) 3.068 33.668 ( 0.000 -1.172 0.033) 1.172 33.668 ( 0.000 1.172 0.033) 1.172 36.531 ( 0.000 -0.825 1.908) 2.079 36.531 ( 0.000 0.825 1.908) 2.079 36.878 ( 0.000 -4.433 -6.111) 7.549 36.878 ( 0.000 4.433 -6.111) 7.549 36.994 ( 0.000 -3.853 2.151) 4.413 36.994 ( 0.000 3.853 2.151) 4.413 37.178 ( 0.000 -2.749 4.532) 5.301 37.178 ( 0.000 2.749 4.532) 5.301 37.322 ( 0.000 -3.856 3.121) 4.961 37.322 ( 0.000 3.856 3.121) 4.961 37.672 ( 0.000 -10.904 -3.185) 11.359 37.672 ( 0.000 10.904 -3.185) 11.359 ======================= Grid point 72 (30/48) ======================= q-point: ( 0.17 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( 5.451 -4.800 19.651) 20.950 1.440 ( 5.451 4.800 19.651) 20.950 1.571 ( 3.803 -12.730 4.472) 14.018 1.571 ( 3.803 12.730 4.472) 14.018 1.855 ( 3.222 -5.515 -7.717) 10.017 1.855 ( 3.222 5.515 -7.717) 10.017 2.087 ( 0.066 -3.334 0.147) 3.338 2.087 ( 0.066 3.334 0.147) 3.338 2.250 ( 1.031 -4.401 -8.386) 9.527 2.250 ( 1.031 4.401 -8.386) 9.527 2.373 ( -1.564 -3.773 0.328) 4.098 2.373 ( -1.564 3.773 0.328) 4.098 2.788 ( 0.650 -0.685 7.457) 7.517 2.788 ( 0.650 0.685 7.457) 7.517 2.867 ( 1.556 -5.512 -0.478) 5.748 2.867 ( 1.556 5.512 -0.478) 5.748 2.971 ( -1.356 -2.935 -2.087) 3.848 2.971 ( -1.356 2.935 -2.087) 3.848 3.118 ( 2.579 -7.340 -7.635) 10.900 3.118 ( 2.579 7.340 -7.635) 10.900 3.559 ( -2.015 -1.888 -5.098) 5.798 3.559 ( -2.015 1.888 -5.098) 5.798 3.596 ( 1.481 -2.678 -3.049) 4.320 3.596 ( 1.481 2.678 -3.049) 4.320 3.710 ( -1.071 -4.757 4.480) 6.622 3.710 ( -1.071 4.757 4.480) 6.622 3.868 ( -3.700 -1.767 0.414) 4.121 3.868 ( -3.700 1.767 0.414) 4.121 3.932 ( 0.565 -2.600 2.737) 3.817 3.932 ( 0.565 2.600 2.737) 3.817 4.070 ( -3.501 -3.771 2.060) 5.543 4.070 ( -3.501 3.771 2.060) 5.543 4.111 ( -4.846 -3.730 4.140) 7.385 4.111 ( -4.846 3.730 4.140) 7.385 4.370 ( -0.357 -2.757 -5.162) 5.863 4.370 ( -0.357 2.757 -5.162) 5.863 4.439 ( 2.172 -0.982 -2.235) 3.268 4.439 ( 2.172 0.982 -2.235) 3.268 4.630 ( -0.185 -4.923 0.158) 4.929 4.630 ( -0.185 4.923 0.158) 4.929 4.720 ( -1.003 -3.422 -3.966) 5.333 4.720 ( -1.003 3.422 -3.966) 5.333 4.869 ( -0.043 -3.721 0.528) 3.759 4.869 ( -0.043 3.721 0.528) 3.759 4.938 ( -0.038 -2.340 1.859) 2.988 4.938 ( -0.038 2.340 1.859) 2.988 5.038 ( -3.179 -2.147 3.700) 5.330 5.038 ( -3.179 2.147 3.700) 5.330 5.176 ( -7.706 -5.257 0.772) 9.360 5.176 ( -7.706 5.257 0.772) 9.360 5.278 ( -0.812 -1.684 3.611) 4.067 5.278 ( -0.812 1.684 3.611) 4.067 5.812 ( -3.714 -1.547 -1.968) 4.478 5.812 ( -3.714 1.547 -1.968) 4.478 5.864 ( -4.210 -2.997 1.589) 5.406 5.864 ( -4.210 2.997 1.589) 5.406 6.073 ( -4.706 -1.215 -6.293) 7.951 6.073 ( -4.706 1.215 -6.293) 7.951 6.159 ( -1.583 -4.031 2.681) 5.094 6.159 ( -1.583 4.031 2.681) 5.094 6.238 ( -0.449 -4.112 -0.228) 4.143 6.238 ( -0.449 4.112 -0.228) 4.143 6.359 ( 0.848 -1.477 -0.606) 1.807 6.359 ( 0.848 1.477 -0.606) 1.807 6.543 ( 6.428 -0.623 0.115) 6.459 6.543 ( 6.428 0.623 0.115) 6.459 6.595 ( 7.810 -1.408 1.739) 8.125 6.595 ( 7.810 1.408 1.739) 8.125 6.837 ( 5.163 -1.906 0.488) 5.525 6.837 ( 5.163 1.906 0.488) 5.525 6.976 ( 5.993 -3.427 -1.016) 6.978 6.976 ( 5.993 3.427 -1.016) 6.978 8.120 ( 0.885 -1.107 -1.564) 2.111 8.120 ( 0.885 1.107 -1.564) 2.111 8.193 ( -0.606 -1.301 -2.819) 3.163 8.193 ( -0.606 1.301 -2.819) 3.163 8.336 ( -0.146 -1.059 0.780) 1.324 8.336 ( -0.146 1.059 0.780) 1.324 8.395 ( -0.774 -1.162 0.840) 1.629 8.395 ( -0.774 1.162 0.840) 1.629 9.116 ( 0.703 -1.689 -0.172) 1.837 9.116 ( 0.703 1.689 -0.172) 1.837 9.163 ( -0.392 -0.633 -0.313) 0.808 9.163 ( -0.392 0.633 -0.313) 0.808 9.305 ( 0.620 -1.095 -0.323) 1.299 9.305 ( 0.620 1.095 -0.323) 1.299 9.411 ( -1.253 -2.065 0.697) 2.514 9.411 ( -1.253 2.065 0.697) 2.514 9.982 ( 0.895 -1.375 -0.520) 1.721 9.982 ( 0.895 1.375 -0.520) 1.721 10.015 ( -0.100 -0.458 0.359) 0.590 10.015 ( -0.100 0.458 0.359) 0.590 10.249 ( -0.893 -1.504 0.676) 1.875 10.249 ( -0.893 1.504 0.676) 1.875 10.265 ( -0.627 -1.701 0.613) 1.914 10.265 ( -0.627 1.701 0.613) 1.914 10.950 ( 1.142 -0.485 -0.920) 1.545 10.950 ( 1.142 0.485 -0.920) 1.545 10.963 ( 2.522 -0.587 -0.591) 2.656 10.963 ( 2.522 0.587 -0.591) 2.656 11.078 ( -0.491 -0.889 -0.873) 1.339 11.078 ( -0.491 0.889 -0.873) 1.339 11.226 ( -3.534 -0.643 4.893) 6.070 11.226 ( -3.534 0.643 4.893) 6.070 13.631 ( 0.412 -0.292 -0.863) 1.000 13.631 ( 0.412 0.292 -0.863) 1.000 13.655 ( 0.369 -0.471 0.236) 0.643 13.655 ( 0.369 0.471 0.236) 0.643 14.475 ( 0.193 -1.413 0.201) 1.440 14.475 ( 0.193 1.413 0.201) 1.440 14.504 ( -0.714 -1.403 -0.412) 1.627 14.504 ( -0.714 1.403 -0.412) 1.627 14.659 ( -0.798 -0.663 -0.546) 1.172 14.659 ( -0.798 0.663 -0.546) 1.172 14.703 ( -0.785 -1.792 1.695) 2.589 14.703 ( -0.785 1.792 1.695) 2.589 14.831 ( -0.515 -2.811 -1.668) 3.309 14.831 ( -0.515 2.811 -1.668) 3.309 14.909 ( -1.492 -1.581 -0.027) 2.174 14.909 ( -1.492 1.581 -0.027) 2.174 15.242 ( 0.405 -0.382 0.108) 0.567 15.242 ( 0.405 0.382 0.108) 0.567 15.256 ( 0.046 -1.084 0.343) 1.138 15.256 ( 0.046 1.084 0.343) 1.138 15.331 ( -0.116 -2.806 0.710) 2.896 15.331 ( -0.116 2.806 0.710) 2.896 15.363 ( -0.327 -1.002 -0.465) 1.152 15.363 ( -0.327 1.002 -0.465) 1.152 18.068 ( -0.336 -0.173 0.149) 0.406 18.068 ( -0.336 0.173 0.149) 0.406 18.085 ( -0.141 -0.278 -0.045) 0.315 18.085 ( -0.141 0.278 -0.045) 0.315 19.454 ( -0.483 -0.718 -0.008) 0.866 19.454 ( -0.483 0.718 -0.008) 0.866 19.498 ( -1.201 -1.705 0.091) 2.088 19.498 ( -1.201 1.705 0.091) 2.088 22.115 ( -0.089 -1.786 0.153) 1.794 22.115 ( -0.089 1.786 0.153) 1.794 22.160 ( 0.088 -3.274 -2.560) 4.157 22.160 ( 0.088 3.274 -2.560) 4.157 22.458 ( 0.453 -3.454 2.744) 4.435 22.458 ( 0.453 3.454 2.744) 4.435 22.606 ( -1.922 -3.749 -0.511) 4.244 22.606 ( -1.922 3.749 -0.511) 4.244 24.553 ( 0.077 -0.092 0.011) 0.120 24.553 ( 0.077 0.092 0.011) 0.120 24.556 ( 0.085 -0.089 -0.008) 0.123 24.556 ( 0.085 0.089 -0.008) 0.123 28.065 ( 1.554 -1.550 -0.620) 2.281 28.065 ( 1.554 1.550 -0.620) 2.281 28.144 ( 2.006 -1.640 1.677) 3.087 28.144 ( 2.006 1.640 1.677) 3.087 28.324 ( 5.965 -2.487 -2.342) 6.874 28.324 ( 5.965 2.487 -2.342) 6.874 29.427 ( -11.340 -5.220 -0.201) 12.485 29.427 ( -11.340 5.220 -0.201) 12.485 31.494 ( 1.396 -2.554 1.194) 3.147 31.494 ( 1.396 2.554 1.194) 3.147 31.560 ( 0.701 -5.265 -1.409) 5.495 31.560 ( 0.701 5.265 -1.409) 5.495 31.997 ( 1.576 -0.476 0.418) 1.699 31.997 ( 1.576 0.476 0.418) 1.699 32.487 ( -7.623 -3.389 -3.347) 8.989 32.487 ( -7.623 3.389 -3.347) 8.989 33.253 ( 1.308 -1.146 1.749) 2.466 33.253 ( 1.308 1.146 1.749) 2.466 33.627 ( -3.644 -1.021 -0.001) 3.784 33.627 ( -3.644 1.021 -0.001) 3.784 36.538 ( 0.757 -0.942 2.045) 2.375 36.538 ( 0.757 0.942 2.045) 2.375 36.857 ( -3.303 -2.365 -4.514) 6.073 36.857 ( -3.303 2.365 -4.514) 6.073 36.925 ( -2.803 -2.721 0.411) 3.928 36.925 ( -2.803 2.721 0.411) 3.928 37.103 ( -4.251 -4.412 3.872) 7.248 37.103 ( -4.251 4.412 3.872) 7.248 37.488 ( 10.554 -11.456 1.694) 15.668 37.488 ( 10.554 11.456 1.694) 15.668 37.730 ( 4.305 -11.658 -1.810) 12.558 37.730 ( 4.305 11.658 -1.810) 12.558 ======================= Grid point 74 (31/48) ======================= q-point: ( 0.33 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( 5.264 -3.050 3.931) 7.243 1.553 ( 5.264 3.050 3.931) 7.243 1.701 ( 6.891 -5.385 9.496) 12.910 1.701 ( 6.891 5.385 9.496) 12.910 1.905 ( 0.711 -6.250 -1.782) 6.538 1.905 ( 0.711 6.250 -1.782) 6.538 2.063 ( -1.439 -5.574 -2.342) 6.215 2.063 ( -1.439 5.574 -2.342) 6.215 2.211 ( -3.714 -3.580 -3.857) 6.441 2.211 ( -3.714 3.580 -3.857) 6.441 2.370 ( -1.497 -6.912 0.237) 7.076 2.370 ( -1.497 6.912 0.237) 7.077 2.795 ( 0.475 -2.594 6.060) 6.609 2.795 ( 0.475 2.594 6.060) 6.609 2.851 ( -2.272 -4.754 1.420) 5.457 2.851 ( -2.272 4.754 1.420) 5.457 2.981 ( 0.308 -4.920 -2.361) 5.466 2.981 ( 0.308 4.920 -2.361) 5.466 3.114 ( -2.479 -4.933 -2.988) 6.277 3.114 ( -2.479 4.933 -2.988) 6.277 3.513 ( 0.504 -2.472 -2.678) 3.679 3.513 ( 0.504 2.472 -2.678) 3.679 3.617 ( -1.417 -4.675 -2.650) 5.557 3.617 ( -1.417 4.675 -2.650) 5.557 3.718 ( 4.393 -4.970 -4.059) 7.776 3.718 ( 4.393 4.970 -4.059) 7.776 3.826 ( -0.995 -1.929 -1.039) 2.406 3.826 ( -0.995 1.929 -1.039) 2.406 3.975 ( 4.003 -6.016 4.659) 8.598 3.975 ( 4.003 6.016 4.659) 8.598 4.025 ( 2.217 -4.114 2.786) 5.441 4.025 ( 2.217 4.114 2.786) 5.441 4.150 ( 4.573 -3.971 3.124) 6.815 4.150 ( 4.573 3.971 3.124) 6.815 4.340 ( -2.643 -4.353 -4.444) 6.759 4.340 ( -2.643 4.353 -4.444) 6.759 4.495 ( 0.881 -0.588 -1.656) 1.966 4.495 ( 0.881 0.588 -1.656) 1.966 4.547 ( -6.986 -1.073 -3.993) 8.118 4.547 ( -6.986 1.073 -3.993) 8.118 4.675 ( -2.787 -3.040 -4.496) 6.101 4.675 ( -2.787 3.040 -4.496) 6.101 4.832 ( -1.157 -2.270 2.909) 3.867 4.832 ( -1.157 2.270 2.909) 3.867 4.856 ( -4.764 -6.410 6.004) 9.992 4.856 ( -4.764 6.410 6.004) 9.992 4.958 ( -4.351 -0.750 2.995) 5.335 4.958 ( -4.351 0.750 2.995) 5.335 5.119 ( 1.332 -3.080 -0.148) 3.359 5.119 ( 1.332 3.080 -0.148) 3.359 5.244 ( -2.606 -1.856 0.673) 3.270 5.244 ( -2.606 1.856 0.673) 3.270 5.723 ( -3.767 -2.019 -0.086) 4.274 5.723 ( -3.767 2.019 -0.086) 4.274 5.746 ( -5.261 -2.427 1.312) 5.940 5.746 ( -5.261 2.427 1.312) 5.940 6.010 ( -0.626 -1.543 -1.549) 2.274 6.010 ( -0.626 1.543 -1.549) 2.274 6.106 ( -3.379 -3.976 4.164) 6.675 6.106 ( -3.379 3.976 4.164) 6.675 6.243 ( 1.001 -2.287 -3.712) 4.474 6.243 ( 1.001 2.287 -3.712) 4.474 6.326 ( -2.345 -1.763 -2.881) 4.112 6.326 ( -2.345 1.763 -2.881) 4.112 6.739 ( 8.820 -0.696 -0.284) 8.852 6.739 ( 8.820 0.696 -0.284) 8.852 6.787 ( 7.660 -1.543 1.199) 7.905 6.787 ( 7.660 1.543 1.199) 7.905 6.948 ( 4.907 -2.186 0.781) 5.428 6.948 ( 4.907 2.186 0.781) 5.428 7.064 ( 1.486 -2.830 -0.214) 3.203 7.064 ( 1.486 2.830 -0.214) 3.203 8.141 ( 0.903 -1.435 -2.130) 2.722 8.141 ( 0.903 1.435 -2.130) 2.722 8.177 ( -0.869 -1.231 -2.588) 2.994 8.177 ( -0.869 1.231 -2.588) 2.994 8.336 ( 0.261 -1.477 1.472) 2.101 8.336 ( 0.261 1.477 1.472) 2.101 8.373 ( -1.179 -1.537 1.157) 2.256 8.373 ( -1.179 1.537 1.157) 2.256 9.132 ( 0.716 -0.947 -0.323) 1.230 9.132 ( 0.716 0.947 -0.323) 1.230 9.153 ( -0.429 -0.631 -0.492) 0.908 9.153 ( -0.429 0.631 -0.492) 0.908 9.316 ( 0.487 -1.610 -0.043) 1.682 9.316 ( 0.487 1.610 -0.043) 1.682 9.373 ( -2.049 -1.866 0.736) 2.867 9.373 ( -2.049 1.866 0.736) 2.867 9.999 ( 0.559 -1.172 -0.522) 1.400 9.999 ( 0.559 1.172 -0.522) 1.400 10.014 ( -0.074 -1.165 -0.304) 1.206 10.014 ( -0.074 1.165 -0.304) 1.206 10.230 ( -0.501 -1.178 0.946) 1.592 10.230 ( -0.501 1.178 0.946) 1.592 10.249 ( -0.838 -2.167 0.787) 2.453 10.249 ( -0.838 2.167 0.787) 2.453 10.973 ( 1.266 -0.493 -0.396) 1.416 10.973 ( 1.266 0.493 -0.396) 1.416 11.025 ( 1.614 -0.429 0.931) 1.912 11.025 ( 1.614 0.429 0.931) 1.912 11.071 ( 0.611 -0.867 -1.558) 1.885 11.071 ( 0.611 0.867 -1.558) 1.885 11.156 ( -2.441 -0.746 2.378) 3.488 11.156 ( -2.441 0.746 2.378) 3.488 13.644 ( 0.756 -0.312 -0.421) 0.920 13.644 ( 0.756 0.312 -0.421) 0.920 13.662 ( 0.163 -0.455 0.198) 0.522 13.662 ( 0.163 0.455 0.198) 0.522 14.476 ( -0.051 -1.632 0.291) 1.659 14.476 ( -0.051 1.632 0.291) 1.659 14.487 ( -0.708 -1.466 0.154) 1.635 14.487 ( -0.708 1.466 0.154) 1.635 14.645 ( -0.002 -0.679 0.132) 0.692 14.645 ( -0.002 0.679 0.132) 0.692 14.689 ( -0.852 -0.835 0.617) 1.343 14.689 ( -0.852 0.835 0.617) 1.343 14.821 ( -0.138 -2.219 -1.040) 2.455 14.821 ( -0.138 2.219 -1.040) 2.455 14.869 ( -1.936 -1.830 -1.042) 2.861 14.869 ( -1.936 1.830 -1.042) 2.861 15.249 ( 0.248 -2.080 0.363) 2.126 15.249 ( 0.248 2.080 0.363) 2.126 15.258 ( -0.002 -1.335 0.415) 1.398 15.258 ( -0.002 1.335 0.415) 1.398 15.331 ( 0.185 -1.517 0.145) 1.535 15.331 ( 0.185 1.517 0.145) 1.535 15.352 ( -0.577 -0.945 -0.362) 1.165 15.352 ( -0.577 0.945 -0.362) 1.165 18.063 ( 0.010 -0.277 0.147) 0.314 18.063 ( 0.010 0.277 0.147) 0.314 18.079 ( -0.405 -0.347 0.100) 0.543 18.079 ( -0.405 0.347 0.100) 0.543 19.444 ( -0.283 -1.161 0.017) 1.195 19.444 ( -0.283 1.161 0.017) 1.195 19.468 ( -1.348 -1.814 0.067) 2.261 19.468 ( -1.348 1.814 0.067) 2.261 22.119 ( 0.486 -3.886 0.397) 3.936 22.119 ( 0.486 3.886 0.397) 3.936 22.153 ( -0.699 -4.468 -1.098) 4.654 22.153 ( -0.699 4.468 -1.098) 4.654 22.475 ( 1.189 -3.580 1.177) 3.951 22.475 ( 1.189 3.580 1.177) 3.951 22.556 ( -2.405 -3.809 -0.491) 4.531 22.556 ( -2.405 3.809 -0.491) 4.531 24.556 ( 0.126 -0.075 0.015) 0.147 24.556 ( 0.126 0.075 0.015) 0.147 24.558 ( 0.049 -0.095 -0.001) 0.107 24.558 ( 0.049 0.095 -0.001) 0.107 28.119 ( 2.952 -2.610 -0.242) 3.948 28.119 ( 2.952 2.610 -0.242) 3.948 28.177 ( 0.826 -2.400 0.541) 2.595 28.177 ( 0.826 2.400 0.541) 2.595 28.500 ( 10.211 -2.401 -0.565) 10.505 28.500 ( 10.211 2.401 -0.565) 10.505 29.113 ( -16.409 -4.330 -0.548) 16.980 29.113 ( -16.409 4.330 -0.548) 16.980 31.531 ( 1.795 -2.952 0.577) 3.502 31.531 ( 1.795 2.952 0.577) 3.502 31.572 ( 0.214 -4.609 -0.812) 4.685 31.572 ( 0.214 4.609 -0.812) 4.685 32.050 ( 3.367 -1.074 0.343) 3.551 32.050 ( 3.367 1.074 0.343) 3.551 32.302 ( -8.391 -2.981 -1.124) 8.975 32.302 ( -8.391 2.981 -1.124) 8.975 33.307 ( 3.658 -0.914 0.574) 3.814 33.307 ( 3.658 0.914 0.574) 3.814 33.524 ( -5.465 -0.914 -0.012) 5.541 33.524 ( -5.465 0.914 -0.012) 5.541 36.569 ( 2.171 -0.955 1.839) 3.001 36.569 ( 2.171 0.955 1.839) 3.001 36.742 ( -5.650 -1.126 -0.932) 5.836 36.742 ( -5.650 1.126 -0.932) 5.836 36.920 ( 1.133 -5.093 -1.783) 5.514 36.920 ( 1.133 5.093 -1.783) 5.514 37.019 ( -3.369 -4.479 1.377) 5.771 37.019 ( -3.369 4.479 1.377) 5.771 37.694 ( 7.772 -13.216 0.498) 15.340 37.694 ( 7.772 13.216 0.498) 15.340 37.810 ( 2.243 -12.422 -0.324) 12.627 37.810 ( 2.243 12.422 -0.324) 12.627 ======================= Grid point 76 (32/48) ======================= q-point: (-0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( -4.753 -5.024 1.828) 7.153 1.694 ( -0.882 -4.449 1.828) 4.890 1.694 ( 0.882 4.449 1.828) 4.890 1.694 ( 4.753 5.024 1.828) 7.153 1.982 ( -5.398 -8.512 -3.402) 10.638 1.982 ( 5.299 -8.497 -3.402) 10.575 1.982 ( -5.299 8.497 -3.402) 10.576 1.982 ( 5.399 8.512 -3.402) 10.639 2.247 ( -7.133 -4.920 5.415) 10.218 2.247 ( 0.016 -3.389 5.415) 6.388 2.247 ( -0.016 3.390 5.415) 6.388 2.247 ( 7.133 4.920 5.415) 10.218 2.802 ( -1.643 -4.282 3.057) 5.512 2.802 ( 1.611 -4.279 3.057) 5.500 2.802 ( -1.611 4.279 3.057) 5.500 2.802 ( 1.643 4.282 3.057) 5.512 3.039 ( -3.369 -3.525 -3.260) 5.866 3.039 ( -0.838 -3.125 -3.260) 4.593 3.039 ( 0.838 3.125 -3.260) 4.593 3.039 ( 3.370 3.525 -3.260) 5.866 3.569 ( -3.134 -5.063 -2.503) 6.459 3.569 ( 2.804 -5.014 -2.503) 6.266 3.569 ( -2.804 5.014 -2.503) 6.266 3.569 ( 3.134 5.063 -2.503) 6.459 3.799 ( -2.026 -4.850 -1.576) 5.488 3.799 ( 1.430 -4.797 -1.576) 5.248 3.799 ( -1.430 4.797 -1.576) 5.248 3.799 ( 2.026 4.850 -1.576) 5.488 4.075 ( -1.898 -7.629 2.032) 8.120 4.075 ( 1.864 -7.627 2.032) 8.110 4.075 ( -1.864 7.627 2.032) 8.110 4.075 ( 1.898 7.629 2.032) 8.120 4.244 ( -5.998 -6.694 -0.175) 8.990 4.244 ( 5.838 -6.658 -0.175) 8.857 4.244 ( -5.838 6.658 -0.175) 8.857 4.244 ( 5.998 6.694 -0.175) 8.990 4.447 ( -1.590 -4.000 -4.024) 5.892 4.447 ( -0.568 -3.930 -4.024) 5.654 4.447 ( 0.568 3.930 -4.024) 5.654 4.447 ( 1.590 4.000 -4.024) 5.892 4.733 ( -5.380 -4.002 2.107) 7.029 4.733 ( -0.098 -2.964 2.107) 3.638 4.733 ( 0.098 2.964 2.107) 3.638 4.733 ( 5.380 4.002 2.107) 7.029 4.867 ( -2.378 -3.153 2.807) 4.845 4.867 ( -0.021 -2.920 2.807) 4.050 4.867 ( 0.021 2.920 2.807) 4.050 4.867 ( 2.378 3.153 2.807) 4.845 5.172 ( -3.319 -3.127 -1.028) 4.674 5.172 ( 2.464 -2.922 -1.028) 3.959 5.172 ( -2.464 2.922 -1.028) 3.959 5.172 ( 3.319 3.127 -1.028) 4.674 5.682 ( -0.403 -4.139 1.144) 4.313 5.682 ( 0.385 -4.139 1.144) 4.311 5.682 ( -0.385 4.139 1.144) 4.311 5.682 ( 0.403 4.139 1.144) 4.313 6.035 ( -2.637 -2.007 2.515) 4.160 6.035 ( 2.561 -1.982 2.515) 4.101 6.035 ( -2.561 1.982 2.515) 4.101 6.035 ( 2.637 2.007 2.515) 4.160 6.277 ( -2.014 -1.689 -4.042) 4.822 6.277 ( 1.846 -1.640 -4.042) 4.737 6.277 ( -1.846 1.640 -4.042) 4.737 6.277 ( 2.014 1.689 -4.042) 4.822 6.858 ( -1.305 -1.985 -0.600) 2.450 6.858 ( 0.774 -1.914 -0.600) 2.150 6.858 ( -0.774 1.914 -0.600) 2.150 6.858 ( 1.305 1.985 -0.600) 2.450 7.042 ( -2.996 -1.904 1.297) 3.779 7.042 ( -0.119 -1.177 1.297) 1.755 7.042 ( 0.119 1.177 1.297) 1.755 7.042 ( 2.996 1.904 1.297) 3.779 8.159 ( -0.572 -2.112 -2.405) 3.251 8.159 ( 0.398 -2.102 -2.405) 3.219 8.159 ( -0.398 2.102 -2.405) 3.219 8.159 ( 0.572 2.112 -2.405) 3.251 8.349 ( -0.875 -1.767 1.508) 2.482 8.349 ( 0.813 -1.759 1.508) 2.456 8.349 ( -0.813 1.759 1.508) 2.456 8.349 ( 0.875 1.767 1.508) 2.482 9.144 ( -0.251 -1.109 -0.448) 1.223 9.144 ( 0.112 -1.104 -0.448) 1.197 9.144 ( -0.112 1.104 -0.448) 1.197 9.144 ( 0.251 1.109 -0.448) 1.223 9.334 ( -1.295 -1.927 0.445) 2.364 9.334 ( 1.146 -1.904 0.445) 2.266 9.334 ( -1.146 1.904 0.445) 2.266 9.334 ( 1.295 1.927 0.445) 2.364 10.009 ( -0.378 -1.600 -0.571) 1.741 10.009 ( 0.362 -1.599 -0.571) 1.737 10.009 ( -0.362 1.599 -0.571) 1.737 10.009 ( 0.378 1.600 -0.571) 1.741 10.232 ( -0.588 -2.179 0.916) 2.436 10.232 ( 0.587 -2.179 0.916) 2.436 10.232 ( -0.587 2.179 0.916) 2.436 10.232 ( 0.588 2.179 0.916) 2.436 11.008 ( -1.764 -0.567 0.220) 1.866 11.008 ( -1.386 0.153 0.220) 1.412 11.008 ( 1.386 -0.153 0.220) 1.412 11.008 ( 1.764 0.567 0.220) 1.866 11.113 ( -1.925 -0.419 0.212) 1.981 11.113 ( -1.734 -0.032 0.212) 1.748 11.113 ( 1.734 0.032 0.212) 1.748 11.113 ( 1.925 0.419 0.212) 1.981 13.659 ( -0.435 -0.463 -0.022) 0.636 13.659 ( 0.195 -0.420 -0.022) 0.464 13.659 ( -0.195 0.420 -0.022) 0.464 13.659 ( 0.435 0.463 -0.022) 0.636 14.477 ( -0.204 -1.699 0.346) 1.746 14.477 ( 0.200 -1.699 0.346) 1.745 14.477 ( -0.200 1.699 0.346) 1.745 14.477 ( 0.204 1.699 0.346) 1.746 14.662 ( -1.192 -0.287 0.316) 1.266 14.662 ( -1.093 -0.160 0.316) 1.149 14.662 ( 1.093 0.160 0.316) 1.149 14.662 ( 1.192 0.287 0.316) 1.266 14.833 ( -1.219 -2.028 -1.138) 2.626 14.833 ( 1.142 -2.017 -1.138) 2.583 14.833 ( -1.142 2.017 -1.138) 2.583 14.833 ( 1.219 2.028 -1.138) 2.626 15.254 ( -0.214 -2.586 0.469) 2.637 15.254 ( 0.209 -2.586 0.469) 2.636 15.254 ( -0.209 2.586 0.469) 2.636 15.254 ( 0.214 2.586 0.469) 2.637 15.340 ( -0.534 -0.712 -0.224) 0.918 15.340 ( 0.464 -0.699 -0.224) 0.869 15.340 ( -0.464 0.699 -0.224) 0.869 15.340 ( 0.535 0.712 -0.224) 0.918 18.069 ( -0.439 -0.381 0.150) 0.600 18.069 ( 0.392 -0.368 0.150) 0.558 18.069 ( -0.392 0.368 0.150) 0.558 18.069 ( 0.439 0.381 0.150) 0.600 19.446 ( -0.425 -2.411 0.041) 2.449 19.446 ( 0.346 -2.408 0.041) 2.433 19.446 ( -0.346 2.408 0.041) 2.433 19.446 ( 0.425 2.411 0.041) 2.449 22.134 ( -0.889 -4.685 -0.008) 4.769 22.134 ( 0.888 -4.685 -0.008) 4.768 22.134 ( -0.888 4.685 -0.008) 4.768 22.134 ( 0.889 4.685 -0.008) 4.769 22.509 ( -1.739 -4.266 0.029) 4.607 22.509 ( 1.508 -4.244 0.029) 4.504 22.509 ( -1.508 4.244 0.029) 4.504 22.509 ( 1.739 4.266 0.029) 4.607 24.558 ( -0.055 -0.110 0.007) 0.123 24.558 ( 0.036 -0.108 0.007) 0.114 24.558 ( -0.036 0.108 0.007) 0.114 24.558 ( 0.055 0.110 0.007) 0.123 28.171 ( -1.196 -3.993 0.282) 4.178 28.171 ( 0.933 -3.975 0.282) 4.093 28.171 ( -0.933 3.975 0.282) 4.093 28.171 ( 1.196 3.993 0.282) 4.178 28.768 ( -14.561 -3.553 -0.569) 14.999 28.768 ( -14.386 3.369 -0.569) 14.786 28.768 ( 14.386 -3.369 -0.569) 14.786 28.768 ( 14.561 3.553 -0.569) 14.999 31.563 ( -0.998 -3.932 -0.149) 4.060 31.563 ( 0.960 -3.930 -0.149) 4.048 31.563 ( -0.960 3.930 -0.149) 4.048 31.563 ( 0.998 3.932 -0.149) 4.060 32.147 ( -5.774 -2.049 -0.012) 6.127 32.147 ( -5.465 1.825 -0.012) 5.761 32.147 ( 5.465 -1.825 -0.012) 5.761 32.147 ( 5.774 2.049 -0.012) 6.127 33.406 ( -5.211 -0.925 0.107) 5.294 33.406 ( -5.113 0.776 0.107) 5.172 33.406 ( 5.113 -0.776 0.107) 5.172 33.406 ( 5.211 0.925 0.107) 5.294 36.636 ( -4.035 -1.100 0.739) 4.247 36.636 ( -3.789 0.853 0.739) 3.954 36.636 ( 3.789 -0.853 0.739) 3.954 36.636 ( 4.035 1.100 0.739) 4.247 36.958 ( -1.977 -6.347 -0.738) 6.689 36.958 ( 1.654 -6.324 -0.738) 6.578 36.958 ( -1.654 6.324 -0.738) 6.578 36.958 ( 1.977 6.347 -0.738) 6.689 37.808 ( -2.012 -17.688 0.152) 17.803 37.808 ( 1.829 -17.684 0.152) 17.779 37.808 ( -1.829 17.684 0.152) 17.779 37.808 ( 2.012 17.688 0.152) 17.803 ======================= Grid point 98 (33/48) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( 0.000 0.000 -19.754) 19.754 0.883 ( 0.000 0.000 19.754) 19.754 1.019 ( 0.000 0.000 -23.204) 23.204 1.019 ( 0.000 0.000 23.204) 23.204 1.644 ( 0.000 0.000 -6.948) 6.948 1.644 ( 0.000 0.000 6.948) 6.948 1.858 ( 0.000 0.000 -39.118) 39.118 1.858 ( 0.000 0.000 39.118) 39.118 2.380 ( 0.000 0.000 -31.684) 31.684 2.380 ( 0.000 0.000 31.684) 31.684 2.453 ( 0.000 0.000 -19.277) 19.277 2.453 ( 0.000 0.000 19.277) 19.277 2.484 ( 0.000 0.000 -0.181) 0.181 2.484 ( 0.000 0.000 0.181) 0.181 2.644 ( 0.000 0.000 -7.240) 7.240 2.644 ( 0.000 0.000 7.240) 7.240 2.703 ( 0.000 0.000 -11.166) 11.166 2.703 ( 0.000 0.000 11.166) 11.166 2.993 ( 0.000 0.000 -12.081) 12.081 2.993 ( 0.000 0.000 12.081) 12.081 3.112 ( 0.000 0.000 -0.926) 0.926 3.112 ( 0.000 0.000 0.926) 0.926 3.204 ( 0.000 0.000 -4.829) 4.829 3.204 ( 0.000 0.000 4.829) 4.829 3.448 ( 0.000 0.000 -0.379) 0.379 3.448 ( 0.000 0.000 0.379) 0.379 3.546 ( 0.000 0.000 -17.993) 17.993 3.546 ( 0.000 0.000 17.993) 17.993 3.737 ( 0.000 0.000 -1.117) 1.117 3.737 ( 0.000 0.000 1.117) 1.117 3.878 ( 0.000 0.000 -1.592) 1.592 3.878 ( 0.000 0.000 1.592) 1.592 4.201 ( 0.000 0.000 -0.969) 0.969 4.201 ( 0.000 0.000 0.969) 0.969 4.347 ( 0.000 0.000 -2.068) 2.068 4.347 ( 0.000 0.000 2.068) 2.068 4.451 ( 0.000 0.000 -3.034) 3.034 4.451 ( 0.000 0.000 3.034) 3.034 4.657 ( 0.000 0.000 -1.444) 1.444 4.657 ( 0.000 0.000 1.444) 1.444 4.730 ( 0.000 0.000 -2.483) 2.483 4.730 ( 0.000 0.000 2.483) 2.483 4.845 ( 0.000 0.000 -2.654) 2.654 4.845 ( 0.000 0.000 2.654) 2.654 4.857 ( 0.000 0.000 -3.560) 3.560 4.857 ( 0.000 0.000 3.560) 3.560 5.166 ( 0.000 0.000 -4.469) 4.469 5.166 ( 0.000 0.000 4.469) 4.469 5.188 ( 0.000 0.000 -1.456) 1.456 5.188 ( 0.000 0.000 1.456) 1.456 5.269 ( 0.000 0.000 -0.208) 0.208 5.269 ( 0.000 0.000 0.208) 0.208 5.634 ( 0.000 0.000 -6.474) 6.474 5.634 ( 0.000 0.000 6.474) 6.474 5.899 ( 0.000 0.000 -3.677) 3.677 5.899 ( 0.000 0.000 3.677) 3.677 6.058 ( 0.000 0.000 -5.456) 5.456 6.058 ( 0.000 0.000 5.456) 5.456 6.071 ( 0.000 0.000 -5.487) 5.487 6.071 ( 0.000 0.000 5.487) 5.487 6.183 ( 0.000 0.000 -5.590) 5.590 6.183 ( 0.000 0.000 5.590) 5.590 6.366 ( 0.000 0.000 -7.549) 7.549 6.366 ( 0.000 0.000 7.549) 7.549 6.375 ( 0.000 0.000 -0.099) 0.099 6.375 ( 0.000 0.000 0.099) 0.099 6.639 ( 0.000 0.000 -0.079) 0.079 6.639 ( 0.000 0.000 0.079) 0.079 6.797 ( 0.000 0.000 -0.800) 0.800 6.797 ( 0.000 0.000 0.800) 0.800 7.316 ( 0.000 0.000 -5.797) 5.797 7.316 ( 0.000 0.000 5.797) 5.797 8.166 ( 0.000 0.000 -1.315) 1.315 8.166 ( 0.000 0.000 1.315) 1.315 8.235 ( 0.000 0.000 -3.373) 3.373 8.235 ( 0.000 0.000 3.373) 3.373 8.723 ( 0.000 0.000 -2.869) 2.869 8.723 ( 0.000 0.000 2.869) 2.869 8.809 ( 0.000 0.000 -0.783) 0.783 8.809 ( 0.000 0.000 0.783) 0.783 8.974 ( 0.000 0.000 -2.892) 2.892 8.974 ( 0.000 0.000 2.892) 2.892 9.177 ( 0.000 0.000 -0.927) 0.927 9.177 ( 0.000 0.000 0.927) 0.927 9.400 ( 0.000 0.000 -0.162) 0.162 9.400 ( 0.000 0.000 0.162) 0.162 9.704 ( 0.000 0.000 -1.325) 1.325 9.704 ( 0.000 0.000 1.325) 1.325 9.863 ( 0.000 0.000 -0.463) 0.463 9.863 ( 0.000 0.000 0.463) 0.463 10.020 ( 0.000 0.000 -2.462) 2.462 10.020 ( 0.000 0.000 2.462) 2.462 10.618 ( 0.000 0.000 -0.897) 0.897 10.618 ( 0.000 0.000 0.897) 0.897 10.763 ( 0.000 0.000 -0.627) 0.627 10.763 ( 0.000 0.000 0.627) 0.627 10.871 ( 0.000 0.000 -0.484) 0.484 10.871 ( 0.000 0.000 0.484) 0.484 10.958 ( 0.000 0.000 -0.046) 0.046 10.958 ( 0.000 0.000 0.046) 0.046 11.037 ( 0.000 0.000 -3.154) 3.154 11.037 ( 0.000 0.000 3.154) 3.154 11.243 ( 0.000 0.000 -0.777) 0.777 11.243 ( 0.000 0.000 0.777) 0.777 13.438 ( 0.000 0.000 -1.122) 1.122 13.438 ( 0.000 0.000 1.122) 1.122 13.550 ( 0.000 0.000 -0.603) 0.603 13.550 ( 0.000 0.000 0.603) 0.603 14.399 ( 0.000 0.000 -0.819) 0.819 14.399 ( 0.000 0.000 0.819) 0.819 14.569 ( 0.000 0.000 -2.425) 2.425 14.569 ( 0.000 0.000 2.425) 2.425 14.585 ( 0.000 0.000 -0.133) 0.133 14.585 ( 0.000 0.000 0.133) 0.133 14.623 ( 0.000 0.000 -0.092) 0.092 14.623 ( 0.000 0.000 0.092) 0.092 14.885 ( 0.000 0.000 -5.089) 5.089 14.885 ( 0.000 0.000 5.089) 5.089 14.979 ( 0.000 0.000 -0.385) 0.385 14.979 ( 0.000 0.000 0.385) 0.385 15.185 ( 0.000 0.000 -1.833) 1.833 15.185 ( 0.000 0.000 1.833) 1.833 15.215 ( 0.000 0.000 -0.878) 0.878 15.215 ( 0.000 0.000 0.878) 0.878 15.278 ( 0.000 0.000 -0.325) 0.325 15.278 ( 0.000 0.000 0.325) 0.325 15.362 ( 0.000 0.000 -1.116) 1.116 15.362 ( 0.000 0.000 1.116) 1.116 18.072 ( 0.000 0.000 -0.451) 0.451 18.072 ( 0.000 0.000 0.451) 0.451 18.110 ( 0.000 0.000 -0.155) 0.155 18.110 ( 0.000 0.000 0.155) 0.155 19.437 ( 0.000 0.000 -1.247) 1.247 19.437 ( 0.000 0.000 1.247) 1.247 19.626 ( 0.000 0.000 -0.923) 0.923 19.626 ( 0.000 0.000 0.923) 0.923 21.780 ( 0.000 0.000 -4.430) 4.430 21.780 ( 0.000 0.000 4.430) 4.430 22.100 ( 0.000 0.000 -1.473) 1.473 22.100 ( 0.000 0.000 1.473) 1.473 22.604 ( 0.000 0.000 -1.482) 1.482 22.604 ( 0.000 0.000 1.482) 1.482 22.728 ( 0.000 0.000 -3.866) 3.866 22.728 ( 0.000 0.000 3.866) 3.866 24.535 ( 0.000 0.000 -0.123) 0.123 24.535 ( 0.000 0.000 0.123) 0.123 24.547 ( 0.000 0.000 -0.140) 0.140 24.547 ( 0.000 0.000 0.140) 0.140 27.974 ( 0.000 0.000 -2.582) 2.582 27.974 ( 0.000 0.000 2.582) 2.582 28.243 ( 0.000 0.000 -6.014) 6.014 28.243 ( 0.000 0.000 6.014) 6.014 28.605 ( 0.000 0.000 -6.491) 6.491 28.605 ( 0.000 0.000 6.491) 6.491 28.713 ( 0.000 0.000 -3.417) 3.417 28.713 ( 0.000 0.000 3.417) 3.417 31.436 ( 0.000 0.000 -3.367) 3.367 31.436 ( 0.000 0.000 3.367) 3.367 31.677 ( 0.000 0.000 -1.485) 1.485 31.677 ( 0.000 0.000 1.485) 1.485 31.879 ( 0.000 0.000 -3.447) 3.447 31.879 ( 0.000 0.000 3.447) 3.447 32.117 ( 0.000 0.000 -4.165) 4.165 32.117 ( 0.000 0.000 4.165) 4.165 33.428 ( 0.000 0.000 -2.873) 2.873 33.428 ( 0.000 0.000 2.873) 2.873 33.659 ( 0.000 0.000 -2.298) 2.298 33.659 ( 0.000 0.000 2.298) 2.298 36.532 ( 0.000 0.000 -2.650) 2.650 36.532 ( 0.000 0.000 2.650) 2.650 36.789 ( 0.000 0.000 -1.548) 1.548 36.789 ( 0.000 0.000 1.548) 1.548 36.878 ( 0.000 0.000 -7.178) 7.178 36.878 ( 0.000 0.000 7.178) 7.178 36.982 ( 0.000 0.000 -6.697) 6.697 36.982 ( 0.000 0.000 6.697) 6.697 37.648 ( 0.000 0.000 -6.555) 6.555 37.648 ( 0.000 0.000 6.555) 6.555 38.328 ( 0.000 0.000 -1.613) 1.613 38.328 ( 0.000 0.000 1.613) 1.613 ======================= Grid point 100 (34/48) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( 3.889 0.000 -16.898) 17.340 0.929 ( 3.889 0.000 16.898) 17.340 1.251 ( 17.756 0.000 -16.597) 24.305 1.251 ( 17.756 0.000 16.597) 24.305 1.648 ( -0.195 0.000 -5.462) 5.466 1.648 ( -0.195 0.000 5.462) 5.466 1.965 ( 8.823 0.000 -34.905) 36.002 1.965 ( 8.823 0.000 34.905) 36.002 2.322 ( -8.461 0.000 -14.569) 16.848 2.322 ( -8.461 0.000 14.569) 16.848 2.452 ( -0.419 0.000 -8.438) 8.449 2.452 ( -0.419 0.000 8.438) 8.449 2.464 ( -0.665 0.000 -15.622) 15.636 2.464 ( -0.665 0.000 15.622) 15.636 2.635 ( 0.185 0.000 -9.344) 9.345 2.635 ( 0.185 0.000 9.344) 9.345 2.674 ( -1.608 0.000 -8.845) 8.990 2.674 ( -1.608 0.000 8.846) 8.990 2.987 ( 2.031 0.000 -5.281) 5.658 2.987 ( 2.031 0.000 5.281) 5.658 3.081 ( -1.502 0.000 -3.559) 3.863 3.081 ( -1.502 0.000 3.559) 3.863 3.155 ( -4.330 0.000 -6.370) 7.703 3.155 ( -4.330 0.000 6.370) 7.703 3.458 ( 1.473 0.000 -2.625) 3.011 3.458 ( 1.473 0.000 2.625) 3.011 3.537 ( -1.132 0.000 -17.307) 17.344 3.537 ( -1.132 0.000 17.307) 17.344 3.754 ( -1.078 0.000 -3.749) 3.901 3.754 ( -1.078 0.000 3.749) 3.901 3.998 ( 10.817 0.000 -4.095) 11.566 3.998 ( 10.817 0.000 4.095) 11.566 4.183 ( -2.106 0.000 -1.131) 2.391 4.183 ( -2.106 0.000 1.131) 2.391 4.283 ( -4.294 0.000 -5.778) 7.199 4.283 ( -4.294 0.000 5.778) 7.199 4.456 ( -0.020 0.000 -4.172) 4.172 4.456 ( -0.020 0.000 4.172) 4.172 4.619 ( -11.307 0.000 -2.648) 11.613 4.619 ( -11.307 0.000 2.648) 11.613 4.657 ( -3.439 0.000 -4.023) 5.292 4.657 ( -3.439 0.000 4.023) 5.292 4.727 ( -5.557 0.000 -2.496) 6.092 4.727 ( -5.557 0.000 2.496) 6.092 4.768 ( -2.587 0.000 -2.846) 3.846 4.768 ( -2.587 0.000 2.846) 3.846 5.115 ( -4.718 0.000 -1.767) 5.038 5.115 ( -4.718 0.000 1.767) 5.038 5.172 ( -3.631 0.000 -3.148) 4.806 5.172 ( -3.631 0.000 3.148) 4.806 5.282 ( 3.256 0.000 -4.659) 5.684 5.282 ( 3.256 0.000 4.659) 5.684 5.607 ( -2.013 0.000 -4.991) 5.382 5.607 ( -2.013 0.000 4.991) 5.382 5.912 ( 0.753 0.000 -5.650) 5.700 5.912 ( 0.753 0.000 5.650) 5.700 6.036 ( -4.019 0.000 -3.925) 5.618 6.036 ( -4.019 0.000 3.925) 5.618 6.119 ( -2.214 0.000 -6.318) 6.694 6.119 ( -2.214 0.000 6.318) 6.694 6.202 ( -7.163 0.000 -2.780) 7.683 6.202 ( -7.163 0.000 2.780) 7.683 6.277 ( 13.578 0.000 -2.046) 13.732 6.277 ( 13.578 0.000 2.046) 13.732 6.525 ( 10.902 0.000 -0.880) 10.937 6.525 ( 10.902 0.000 0.880) 10.937 6.568 ( -5.320 0.000 -3.615) 6.432 6.568 ( -5.320 0.000 3.615) 6.432 6.886 ( 5.879 0.000 -2.080) 6.236 6.886 ( 5.879 0.000 2.080) 6.236 7.421 ( 4.081 0.000 -15.035) 15.579 7.421 ( 4.081 0.000 15.035) 15.579 8.161 ( -0.401 0.000 -0.937) 1.019 8.161 ( -0.401 0.000 0.937) 1.019 8.235 ( -0.057 0.000 -2.704) 2.705 8.235 ( -0.057 0.000 2.704) 2.705 8.702 ( -1.027 0.000 -2.781) 2.964 8.702 ( -1.027 0.000 2.781) 2.964 8.809 ( -0.538 0.000 -1.077) 1.204 8.809 ( -0.538 0.000 1.077) 1.204 8.976 ( 0.294 0.000 -2.799) 2.814 8.976 ( 0.294 0.000 2.799) 2.814 9.156 ( -1.944 0.000 -0.546) 2.019 9.156 ( -1.944 0.000 0.546) 2.019 9.436 ( 2.916 0.000 -0.936) 3.063 9.436 ( 2.916 0.000 0.936) 3.063 9.680 ( -1.994 0.000 -0.693) 2.111 9.680 ( -1.994 0.000 0.693) 2.111 9.849 ( -1.175 0.000 -0.236) 1.198 9.849 ( -1.175 0.000 0.236) 1.198 10.016 ( -0.255 0.000 -2.005) 2.021 10.016 ( -0.255 0.000 2.005) 2.021 10.650 ( 2.163 0.000 -1.186) 2.467 10.650 ( 2.163 0.000 1.186) 2.467 10.770 ( 0.844 0.000 -1.163) 1.437 10.770 ( 0.844 0.000 1.163) 1.437 10.882 ( 0.967 0.000 -0.654) 1.167 10.882 ( 0.967 0.000 0.654) 1.167 10.958 ( 0.007 0.000 -0.242) 0.242 10.958 ( 0.007 0.000 0.242) 0.242 11.077 ( 3.392 0.000 -3.123) 4.611 11.077 ( 3.392 0.000 3.123) 4.611 11.241 ( 0.016 0.000 -2.296) 2.296 11.241 ( 0.016 0.000 2.296) 2.296 13.440 ( 0.125 0.000 -0.987) 0.995 13.440 ( 0.125 0.000 0.987) 0.995 13.546 ( -0.332 0.000 -0.562) 0.652 13.546 ( -0.332 0.000 0.562) 0.652 14.398 ( -0.015 0.000 -0.769) 0.769 14.398 ( -0.015 0.000 0.769) 0.769 14.571 ( 0.133 0.000 -2.054) 2.058 14.571 ( 0.133 0.000 2.054) 2.058 14.587 ( 0.180 0.000 -0.237) 0.298 14.587 ( 0.180 0.000 0.237) 0.298 14.618 ( -0.439 0.000 -0.188) 0.477 14.618 ( -0.439 0.000 0.188) 0.477 14.870 ( -1.109 0.000 -5.006) 5.127 14.870 ( -1.109 0.000 5.006) 5.127 14.980 ( 0.045 0.000 -0.310) 0.313 14.980 ( 0.045 0.000 0.310) 0.313 15.133 ( -6.788 0.000 -6.536) 9.423 15.133 ( -6.788 0.000 6.536) 9.423 15.181 ( -0.302 0.000 -1.549) 1.578 15.181 ( -0.302 0.000 1.549) 1.578 15.261 ( 0.781 0.000 -1.548) 1.734 15.261 ( 0.781 0.000 1.548) 1.734 15.371 ( -0.028 0.000 -1.004) 1.005 15.371 ( -0.028 0.000 1.004) 1.005 18.090 ( 0.841 0.000 -0.204) 0.866 18.090 ( 0.841 0.000 0.204) 0.866 18.121 ( 0.914 0.000 -0.304) 0.963 18.121 ( 0.914 0.000 0.304) 0.963 19.432 ( -0.344 0.000 -1.439) 1.480 19.432 ( -0.344 0.000 1.439) 1.480 19.635 ( 0.268 0.000 -2.405) 2.420 19.635 ( 0.268 0.000 2.405) 2.420 21.785 ( 0.349 0.000 -3.853) 3.869 21.785 ( 0.349 0.000 3.853) 3.869 22.163 ( 4.619 0.000 -3.186) 5.611 22.163 ( 4.619 0.000 3.186) 5.611 22.560 ( -3.439 0.000 -0.807) 3.532 22.560 ( -3.439 0.000 0.807) 3.532 22.719 ( -0.724 0.000 -3.337) 3.415 22.719 ( -0.724 0.000 3.337) 3.415 24.536 ( 0.053 0.000 -0.115) 0.127 24.536 ( 0.053 0.000 0.115) 0.127 24.547 ( 0.004 0.000 -0.121) 0.121 24.547 ( 0.004 0.000 0.121) 0.121 28.009 ( 3.221 0.000 -2.175) 3.887 28.009 ( 3.221 0.000 2.175) 3.887 28.256 ( 1.825 0.000 -4.656) 5.001 28.256 ( 1.825 0.000 4.656) 5.001 28.555 ( -4.450 0.000 -5.692) 7.225 28.555 ( -4.450 0.000 5.692) 7.225 28.700 ( -1.679 0.000 -10.402) 10.537 28.700 ( -1.679 0.000 10.402) 10.537 31.452 ( 1.352 0.000 -3.334) 3.598 31.452 ( 1.352 0.000 3.334) 3.598 31.689 ( 1.005 0.000 -1.319) 1.658 31.689 ( 1.005 0.000 1.319) 1.658 31.866 ( -1.201 0.000 -3.056) 3.283 31.866 ( -1.201 0.000 3.056) 3.283 32.060 ( -4.304 0.000 -13.248) 13.930 32.060 ( -4.304 0.000 13.248) 13.930 33.435 ( 1.144 0.000 -1.911) 2.227 33.435 ( 1.144 0.000 1.911) 2.227 33.667 ( -0.134 0.000 -1.251) 1.258 33.667 ( -0.134 0.000 1.251) 1.258 36.554 ( 1.850 0.000 -2.740) 3.306 36.554 ( 1.850 0.000 2.740) 3.306 36.783 ( -0.482 0.000 -4.033) 4.062 36.783 ( -0.482 0.000 4.033) 4.062 36.861 ( -1.489 0.000 -4.364) 4.611 36.861 ( -1.489 0.000 4.364) 4.611 36.970 ( -1.034 0.000 -6.164) 6.250 36.970 ( -1.034 0.000 6.164) 6.250 37.492 ( -8.916 0.000 -0.795) 8.951 37.492 ( -8.916 0.000 0.795) 8.951 38.483 ( 8.994 0.000 -3.123) 9.521 38.483 ( 8.994 0.000 3.123) 9.521 ======================= Grid point 102 (35/48) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( 4.597 0.000 -9.438) 10.498 1.027 ( 4.597 0.000 9.438) 10.498 1.585 ( -6.543 0.000 -2.175) 6.895 1.585 ( -6.543 0.000 2.175) 6.895 1.646 ( 17.177 0.000 -9.506) 19.632 1.646 ( 17.177 0.000 9.506) 19.632 2.121 ( -5.968 0.000 -7.234) 9.378 2.121 ( -5.968 0.000 7.234) 9.378 2.134 ( 2.545 0.000 -20.964) 21.118 2.134 ( 2.545 0.000 20.964) 21.118 2.384 ( -3.293 0.000 -4.099) 5.258 2.384 ( -3.293 0.000 4.099) 5.258 2.399 ( -4.690 0.000 -3.424) 5.807 2.399 ( -4.690 0.000 3.424) 5.807 2.678 ( 1.715 0.000 -7.662) 7.851 2.678 ( 1.715 0.000 7.662) 7.851 2.716 ( 6.942 0.000 -20.601) 21.739 2.716 ( 6.942 0.000 20.601) 21.739 2.979 ( -9.269 0.000 -8.944) 12.881 2.979 ( -9.269 0.000 8.944) 12.881 3.051 ( -2.734 0.000 -12.261) 12.562 3.051 ( -2.734 0.000 12.261) 12.562 3.201 ( 14.289 0.000 -4.723) 15.049 3.201 ( 14.289 0.000 4.723) 15.049 3.521 ( 4.451 0.000 -5.739) 7.263 3.521 ( 4.451 0.000 5.739) 7.263 3.537 ( 3.183 0.000 -12.106) 12.518 3.537 ( 3.183 0.000 12.106) 12.518 3.734 ( -0.306 0.000 -2.931) 2.947 3.734 ( -0.306 0.000 2.931) 2.947 4.033 ( -12.897 0.000 -4.526) 13.668 4.033 ( -12.897 0.000 4.526) 13.668 4.105 ( -4.139 0.000 -6.096) 7.369 4.105 ( -4.139 0.000 6.096) 7.369 4.239 ( -2.770 0.000 -2.166) 3.517 4.239 ( -2.770 0.000 2.166) 3.517 4.381 ( -3.579 0.000 -3.483) 4.994 4.381 ( -3.579 0.000 3.483) 4.994 4.490 ( -0.666 0.000 -2.796) 2.874 4.490 ( -0.666 0.000 2.796) 2.874 4.550 ( 2.147 0.000 -7.832) 8.121 4.550 ( 2.147 0.000 7.832) 8.121 4.710 ( 0.135 0.000 -1.973) 1.977 4.710 ( 0.135 0.000 1.973) 1.977 4.751 ( 0.597 0.000 -1.723) 1.823 4.751 ( 0.597 0.000 1.723) 1.823 5.020 ( -3.826 0.000 -2.946) 4.829 5.020 ( -3.826 0.000 2.946) 4.829 5.056 ( -5.374 0.000 -5.541) 7.719 5.056 ( -5.374 0.000 5.541) 7.719 5.339 ( 0.566 0.000 -3.951) 3.992 5.339 ( 0.566 0.000 3.951) 3.992 5.584 ( 1.017 0.000 -3.049) 3.214 5.584 ( 1.017 0.000 3.049) 3.214 5.856 ( -9.622 0.000 -1.810) 9.790 5.856 ( -9.622 0.000 1.810) 9.790 5.935 ( 1.335 0.000 -6.186) 6.329 5.935 ( 1.335 0.000 6.186) 6.329 6.061 ( -2.632 0.000 -6.511) 7.023 6.061 ( -2.632 0.000 6.511) 7.023 6.192 ( 3.489 0.000 -6.054) 6.988 6.192 ( 3.489 0.000 6.054) 6.988 6.439 ( -6.371 0.000 -4.365) 7.723 6.439 ( -6.371 0.000 4.365) 7.723 6.569 ( 11.104 0.000 -0.849) 11.136 6.569 ( 11.104 0.000 0.849) 11.136 6.751 ( 8.456 0.000 -0.962) 8.511 6.751 ( 8.456 0.000 0.962) 8.511 7.024 ( 6.956 0.000 -2.603) 7.427 7.024 ( 6.956 0.000 2.603) 7.427 7.395 ( -5.717 0.000 -8.928) 10.602 7.395 ( -5.717 0.000 8.928) 10.602 8.152 ( -0.380 0.000 -0.352) 0.518 8.152 ( -0.380 0.000 0.352) 0.518 8.233 ( -0.151 0.000 -1.341) 1.349 8.233 ( -0.151 0.000 1.341) 1.349 8.699 ( 0.692 0.000 -1.684) 1.821 8.699 ( 0.692 0.000 1.684) 1.821 8.783 ( -1.602 0.000 -0.854) 1.815 8.783 ( -1.602 0.000 0.854) 1.815 8.991 ( 1.127 0.000 -2.367) 2.622 8.991 ( 1.127 0.000 2.367) 2.622 9.099 ( -3.028 0.000 -0.421) 3.057 9.099 ( -3.028 0.000 0.421) 3.057 9.506 ( 3.294 0.000 -1.787) 3.747 9.506 ( 3.294 0.000 1.787) 3.747 9.630 ( -2.514 0.000 -1.177) 2.776 9.630 ( -2.514 0.000 1.177) 2.776 9.820 ( -1.229 0.000 -0.070) 1.231 9.820 ( -1.229 0.000 0.070) 1.231 10.011 ( -0.224 0.000 -1.003) 1.028 10.011 ( -0.224 0.000 1.003) 1.028 10.682 ( 0.756 0.000 -1.020) 1.269 10.682 ( 0.756 0.000 1.020) 1.269 10.798 ( 1.307 0.000 -1.501) 1.990 10.798 ( 1.307 0.000 1.501) 1.990 10.908 ( 1.291 0.000 -0.838) 1.539 10.908 ( 1.291 0.000 0.838) 1.539 10.955 ( -0.339 0.000 -0.622) 0.708 10.955 ( -0.339 0.000 0.622) 0.708 11.164 ( 4.056 0.000 -2.296) 4.661 11.164 ( 4.056 0.000 2.296) 4.661 11.245 ( 0.117 0.000 -1.418) 1.423 11.245 ( 0.117 0.000 1.418) 1.423 13.443 ( 0.167 0.000 -0.600) 0.623 13.443 ( 0.167 0.000 0.600) 0.623 13.538 ( -0.349 0.000 -0.380) 0.516 13.538 ( -0.349 0.000 0.380) 0.516 14.399 ( 0.126 0.000 -0.443) 0.461 14.399 ( 0.126 0.000 0.443) 0.461 14.573 ( 0.096 0.000 -1.147) 1.151 14.573 ( 0.096 0.000 1.147) 1.151 14.591 ( 0.110 0.000 -0.342) 0.360 14.591 ( 0.110 0.000 0.342) 0.360 14.608 ( -0.327 0.000 -0.245) 0.409 14.608 ( -0.327 0.000 0.245) 0.409 14.850 ( -0.521 0.000 -3.732) 3.768 14.850 ( -0.521 0.000 3.732) 3.768 14.980 ( 0.013 0.000 -0.156) 0.156 14.980 ( 0.013 0.000 0.156) 0.156 15.011 ( -3.890 0.000 -4.499) 5.947 15.011 ( -3.890 0.000 4.499) 5.947 15.174 ( -0.307 0.000 -0.849) 0.903 15.174 ( -0.307 0.000 0.849) 0.903 15.288 ( 1.366 0.000 -1.003) 1.694 15.288 ( 1.366 0.000 1.003) 1.694 15.361 ( -0.695 0.000 -0.303) 0.759 15.361 ( -0.695 0.000 0.303) 0.759 18.103 ( 0.540 0.000 -0.523) 0.752 18.103 ( 0.540 0.000 0.523) 0.752 18.133 ( 0.023 0.000 -0.302) 0.303 18.133 ( 0.023 0.000 0.302) 0.303 19.425 ( -0.258 0.000 -1.093) 1.123 19.425 ( -0.258 0.000 1.093) 1.123 19.629 ( -0.593 0.000 -2.011) 2.097 19.629 ( -0.593 0.000 2.011) 2.097 21.793 ( 0.354 0.000 -2.245) 2.273 21.793 ( 0.354 0.000 2.245) 2.273 22.253 ( 3.195 0.000 -3.069) 4.430 22.253 ( 3.195 0.000 3.069) 4.430 22.485 ( -2.938 0.000 -1.130) 3.148 22.485 ( -2.938 0.000 1.130) 3.148 22.702 ( -0.730 0.000 -1.914) 2.049 22.702 ( -0.730 0.000 1.914) 2.049 24.537 ( 0.048 0.000 -0.077) 0.091 24.537 ( 0.048 0.000 0.077) 0.091 24.547 ( 0.009 0.000 -0.068) 0.069 24.547 ( 0.009 0.000 0.068) 0.069 28.110 ( 5.985 0.000 -0.998) 6.068 28.110 ( 5.985 0.000 0.998) 6.068 28.332 ( 4.848 0.000 -5.006) 6.969 28.332 ( 4.848 0.000 5.006) 6.969 28.425 ( -7.207 0.000 -3.673) 8.089 28.425 ( -7.207 0.000 3.673) 8.089 28.631 ( -4.413 0.000 -10.407) 11.304 28.631 ( -4.413 0.000 10.407) 11.304 31.487 ( 1.607 0.000 -2.566) 3.028 31.487 ( 1.607 0.000 2.566) 3.028 31.717 ( 1.497 0.000 -0.892) 1.743 31.717 ( 1.497 0.000 0.892) 1.743 31.833 ( -1.693 0.000 -2.007) 2.626 31.833 ( -1.693 0.000 2.007) 2.626 31.970 ( -3.464 0.000 -10.011) 10.593 31.970 ( -3.464 0.000 10.011) 10.593 33.484 ( 3.138 0.000 -1.385) 3.430 33.484 ( 3.138 0.000 1.385) 3.430 33.636 ( -2.619 0.000 -1.068) 2.829 33.636 ( -2.619 0.000 1.068) 2.829 36.600 ( 2.115 0.000 -2.278) 3.108 36.600 ( 2.115 0.000 2.278) 3.108 36.769 ( -0.820 0.000 -6.167) 6.221 36.769 ( -0.820 0.000 6.167) 6.221 36.828 ( -1.205 0.000 -1.409) 1.854 36.828 ( -1.205 0.000 1.409) 1.854 36.943 ( -1.309 0.000 -4.177) 4.377 36.943 ( -1.309 0.000 4.177) 4.377 37.359 ( -3.463 0.000 -0.688) 3.531 37.359 ( -3.463 0.000 0.688) 3.531 38.622 ( 3.911 0.000 -2.323) 4.549 38.622 ( 3.911 0.000 2.323) 4.549 ======================= Grid point 104 (36/48) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( 0.000 0.000 0.000) 0.000 1.091 ( 0.000 0.000 0.000) 0.000 1.467 ( 0.000 0.000 0.000) 0.000 1.467 ( 0.000 0.000 0.000) 0.000 1.927 ( -0.000 0.000 -0.000) 0.000 1.927 ( -0.000 0.000 0.000) 0.000 2.032 ( -0.000 0.000 -0.000) 0.000 2.032 ( 0.000 0.000 0.000) 0.000 2.083 ( 0.000 0.000 0.000) 0.000 2.083 ( 0.000 0.000 0.000) 0.000 2.325 ( 0.000 0.000 0.000) 0.000 2.325 ( 0.000 0.000 0.000) 0.000 2.393 ( 0.000 0.000 -0.000) 0.000 2.393 ( 0.000 0.000 0.000) 0.000 2.739 ( -0.000 0.000 -0.000) 0.000 2.739 ( 0.000 0.000 0.000) 0.000 2.811 ( 0.000 0.000 -0.000) 0.000 2.811 ( 0.000 0.000 0.000) 0.000 2.845 ( 0.000 0.000 0.000) 0.000 2.845 ( 0.000 0.000 0.000) 0.000 2.970 ( -0.000 0.000 -0.000) 0.000 2.970 ( 0.000 0.000 0.000) 0.000 3.411 ( 0.000 0.000 0.000) 0.000 3.411 ( 0.000 0.000 0.000) 0.000 3.666 ( 0.000 0.000 -0.000) 0.000 3.666 ( -0.000 0.000 0.000) 0.000 3.679 ( 0.000 0.000 -0.000) 0.000 3.679 ( 0.000 0.000 0.000) 0.000 3.681 ( -0.000 0.000 -0.000) 0.000 3.681 ( 0.000 0.000 0.000) 0.000 3.768 ( -0.000 0.000 -0.000) 0.000 3.768 ( -0.000 0.000 0.000) 0.000 4.022 ( 0.000 0.000 -0.000) 0.000 4.022 ( 0.000 0.000 0.000) 0.000 4.128 ( 0.000 0.000 -0.000) 0.000 4.128 ( 0.000 0.000 0.000) 0.000 4.357 ( 0.000 0.000 -0.000) 0.000 4.357 ( 0.000 0.000 0.000) 0.000 4.483 ( 0.000 0.000 0.000) 0.000 4.483 ( 0.000 0.000 0.000) 0.000 4.648 ( 0.000 0.000 -0.000) 0.000 4.648 ( 0.000 0.000 0.000) 0.000 4.710 ( 0.000 0.000 -0.000) 0.000 4.710 ( 0.000 0.000 0.000) 0.000 4.767 ( 0.000 0.000 0.000) 0.000 4.767 ( 0.000 0.000 0.000) 0.000 4.971 ( 0.000 0.000 0.000) 0.000 4.971 ( 0.000 0.000 0.000) 0.000 4.987 ( 0.000 0.000 0.000) 0.000 4.987 ( 0.000 0.000 0.000) 0.000 5.325 ( 0.000 0.000 0.000) 0.000 5.325 ( 0.000 0.000 0.000) 0.000 5.654 ( -0.000 0.000 -0.000) 0.000 5.654 ( 0.000 0.000 0.000) 0.000 5.693 ( 0.000 0.000 -0.000) 0.000 5.693 ( 0.000 0.000 0.000) 0.000 5.957 ( 0.000 0.000 0.000) 0.000 5.957 ( 0.000 0.000 0.000) 0.000 6.025 ( 0.000 0.000 -0.000) 0.000 6.025 ( 0.000 0.000 0.000) 0.000 6.287 ( -0.000 0.000 0.000) 0.000 6.287 ( 0.000 0.000 0.000) 0.000 6.314 ( 0.000 0.000 -0.000) 0.000 6.314 ( 0.000 0.000 -0.000) 0.000 6.697 ( 0.000 0.000 0.000) 0.000 6.697 ( 0.000 0.000 0.000) 0.000 6.847 ( 0.000 0.000 0.000) 0.000 6.847 ( 0.000 0.000 0.000) 0.000 7.153 ( -0.000 0.000 0.000) 0.000 7.153 ( 0.000 0.000 0.000) 0.000 7.269 ( 0.000 0.000 0.000) 0.000 7.269 ( 0.000 0.000 0.000) 0.000 8.147 ( 0.000 0.000 -0.000) 0.000 8.147 ( 0.000 0.000 0.000) 0.000 8.230 ( 0.000 0.000 0.000) 0.000 8.230 ( 0.000 0.000 0.000) 0.000 8.715 ( 0.000 0.000 0.000) 0.000 8.715 ( 0.000 0.000 0.000) 0.000 8.757 ( 0.000 0.000 0.000) 0.000 8.757 ( 0.000 0.000 0.000) 0.000 9.020 ( -0.000 0.000 -0.000) 0.000 9.020 ( 0.000 0.000 -0.000) 0.000 9.047 ( 0.000 0.000 0.000) 0.000 9.047 ( 0.000 0.000 0.000) 0.000 9.572 ( 0.000 0.000 -0.000) 0.000 9.572 ( 0.000 0.000 0.000) 0.000 9.573 ( -0.000 0.000 -0.000) 0.000 9.573 ( -0.000 0.000 0.000) 0.000 9.806 ( 0.000 0.000 0.000) 0.000 9.806 ( 0.000 0.000 0.000) 0.000 10.008 ( 0.000 0.000 0.000) 0.000 10.008 ( 0.000 0.000 0.000) 0.000 10.689 ( 0.000 0.000 -0.000) 0.000 10.689 ( 0.000 0.000 0.000) 0.000 10.813 ( 0.000 0.000 -0.000) 0.000 10.813 ( 0.000 0.000 0.000) 0.000 10.927 ( 0.000 0.000 0.000) 0.000 10.927 ( 0.000 0.000 0.000) 0.000 10.947 ( 0.000 0.000 0.000) 0.000 10.947 ( 0.000 0.000 0.000) 0.000 11.229 ( -0.000 0.000 -0.000) 0.000 11.229 ( 0.000 0.000 0.000) 0.000 11.231 ( 0.000 0.000 -0.000) 0.000 11.231 ( 0.000 0.000 0.000) 0.000 13.445 ( 0.000 0.000 0.000) 0.000 13.445 ( 0.000 0.000 0.000) 0.000 13.534 ( 0.000 0.000 0.000) 0.000 13.534 ( 0.000 0.000 0.000) 0.000 14.401 ( 0.000 0.000 0.000) 0.000 14.401 ( 0.000 0.000 0.000) 0.000 14.574 ( 0.000 0.000 0.000) 0.000 14.574 ( 0.000 0.000 0.000) 0.000 14.592 ( 0.000 0.000 0.000) 0.000 14.592 ( 0.000 0.000 0.000) 0.000 14.605 ( 0.000 0.000 0.000) 0.000 14.605 ( 0.000 0.000 0.000) 0.000 14.846 ( 0.000 0.000 -0.000) 0.000 14.846 ( 0.000 0.000 0.000) 0.000 14.969 ( 0.000 0.000 -0.000) 0.000 14.969 ( 0.000 0.000 0.000) 0.000 14.980 ( 0.000 0.000 0.000) 0.000 14.980 ( 0.000 0.000 0.000) 0.000 15.170 ( 0.000 0.000 0.000) 0.000 15.170 ( 0.000 0.000 0.000) 0.000 15.307 ( 0.000 0.000 0.000) 0.000 15.307 ( 0.000 0.000 0.000) 0.000 15.350 ( 0.000 0.000 0.000) 0.000 15.350 ( 0.000 0.000 0.000) 0.000 18.112 ( 0.000 0.000 0.000) 0.000 18.112 ( 0.000 0.000 0.000) 0.000 18.129 ( -0.000 0.000 0.000) 0.000 18.129 ( 0.000 0.000 0.000) 0.000 19.422 ( 0.000 0.000 0.000) 0.000 19.422 ( 0.000 0.000 0.000) 0.000 19.621 ( 0.000 0.000 0.000) 0.000 19.621 ( 0.000 0.000 0.000) 0.000 21.797 ( 0.000 0.000 -0.000) 0.000 21.797 ( 0.000 0.000 0.000) 0.000 22.290 ( 0.000 0.000 -0.000) 0.000 22.290 ( 0.000 0.000 0.000) 0.000 22.450 ( 0.000 0.000 -0.000) 0.000 22.450 ( 0.000 0.000 0.000) 0.000 22.693 ( 0.000 0.000 0.000) 0.000 22.693 ( 0.000 0.000 0.000) 0.000 24.538 ( 0.000 0.000 0.000) 0.000 24.538 ( 0.000 0.000 0.000) 0.000 24.547 ( 0.000 0.000 0.000) 0.000 24.547 ( 0.000 0.000 0.000) 0.000 28.250 ( -0.000 0.000 0.000) 0.000 28.250 ( 0.000 0.000 0.000) 0.000 28.270 ( -0.000 0.000 0.000) 0.000 28.270 ( 0.000 0.000 0.000) 0.000 28.415 ( 0.000 0.000 -0.000) 0.000 28.415 ( 0.000 0.000 0.000) 0.000 28.554 ( 0.000 0.000 -0.000) 0.000 28.554 ( -0.000 0.000 0.000) 0.000 31.507 ( 0.000 0.000 0.000) 0.000 31.507 ( 0.000 0.000 0.000) 0.000 31.740 ( 0.000 0.000 0.000) 0.000 31.740 ( 0.000 0.000 0.000) 0.000 31.808 ( 0.000 0.000 0.000) 0.000 31.808 ( 0.000 0.000 0.000) 0.000 31.929 ( 0.000 0.000 0.000) 0.000 31.929 ( 0.000 0.000 0.000) 0.000 33.548 ( -0.000 0.000 -0.000) 0.000 33.548 ( 0.000 0.000 0.000) 0.000 33.577 ( -0.000 0.000 0.000) 0.000 33.577 ( 0.000 0.000 0.000) 0.000 36.627 ( 0.000 0.000 -0.000) 0.000 36.627 ( 0.000 0.000 0.000) 0.000 36.757 ( 0.000 0.000 -0.000) 0.000 36.757 ( 0.000 0.000 0.000) 0.000 36.815 ( 0.000 0.000 -0.000) 0.000 36.815 ( 0.000 0.000 0.000) 0.000 36.926 ( 0.000 0.000 0.000) 0.000 36.926 ( 0.000 0.000 0.000) 0.000 37.325 ( 0.000 0.000 0.000) 0.000 37.325 ( 0.000 0.000 0.000) 0.000 38.663 ( 0.000 0.000 0.000) 0.000 38.663 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 112 (37/48) ======================= q-point: ( 0.00 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( 0.000 9.846 -16.708) 19.394 1.094 ( 0.000 9.846 16.708) 19.394 1.451 ( 0.000 27.608 -9.042) 29.051 1.451 ( 0.000 27.608 9.042) 29.051 1.793 ( 0.000 1.932 -20.204) 20.296 1.793 ( 0.000 1.932 20.204) 20.296 2.037 ( 0.000 20.653 -5.191) 21.295 2.037 ( 0.000 20.653 5.191) 21.295 2.359 ( 0.000 -1.707 -0.795) 1.883 2.359 ( 0.000 -1.707 0.795) 1.883 2.435 ( 0.000 -7.533 -7.819) 10.857 2.435 ( 0.000 -7.533 7.819) 10.857 2.506 ( 0.000 10.398 -9.528) 14.103 2.506 ( 0.000 10.398 9.528) 14.103 2.628 ( 0.000 0.479 -1.356) 1.438 2.628 ( 0.000 0.479 1.356) 1.438 2.743 ( 0.000 5.416 -0.078) 5.417 2.743 ( 0.000 5.416 0.078) 5.417 2.940 ( 0.000 -0.644 -9.263) 9.285 2.940 ( 0.000 -0.644 9.263) 9.285 3.163 ( 0.000 -0.506 -2.216) 2.273 3.163 ( 0.000 -0.506 2.216) 2.273 3.291 ( 0.000 10.647 -4.290) 11.479 3.291 ( 0.000 10.647 4.290) 11.479 3.500 ( 0.000 4.076 -0.965) 4.189 3.500 ( 0.000 4.076 0.965) 4.189 3.598 ( 0.000 4.964 -10.081) 11.237 3.598 ( 0.000 4.964 10.081) 11.237 3.852 ( 0.000 8.039 -2.672) 8.471 3.852 ( 0.000 8.039 2.672) 8.471 3.904 ( 0.000 3.790 -0.069) 3.791 3.904 ( 0.000 3.790 0.069) 3.791 4.206 ( 0.000 -0.193 -1.569) 1.580 4.206 ( 0.000 -0.193 1.569) 1.580 4.304 ( 0.000 -1.819 -1.474) 2.341 4.304 ( 0.000 -1.819 1.474) 2.341 4.407 ( 0.000 -3.430 -4.644) 5.774 4.407 ( 0.000 -3.430 4.644) 5.774 4.608 ( 0.000 -2.762 -0.835) 2.886 4.608 ( 0.000 -2.762 0.835) 2.886 4.757 ( 0.000 1.781 -0.010) 1.781 4.757 ( 0.000 1.781 0.010) 1.781 4.848 ( 0.000 1.087 -4.461) 4.591 4.848 ( 0.000 1.087 4.461) 4.591 4.957 ( 0.000 4.628 -0.849) 4.706 4.957 ( 0.000 4.628 0.849) 4.706 5.086 ( 0.000 -2.544 -3.119) 4.025 5.086 ( 0.000 -2.544 3.119) 4.025 5.263 ( 0.000 0.533 -3.785) 3.823 5.263 ( 0.000 0.533 3.785) 3.823 5.337 ( 0.000 5.798 -0.388) 5.811 5.337 ( 0.000 5.798 0.388) 5.811 5.654 ( 0.000 3.111 -6.444) 7.156 5.654 ( 0.000 3.111 6.444) 7.156 5.912 ( 0.000 0.725 -3.656) 3.727 5.912 ( 0.000 0.725 3.656) 3.727 6.021 ( 0.000 -0.679 -3.387) 3.454 6.021 ( 0.000 -0.679 3.387) 3.454 6.121 ( 0.000 3.210 -5.437) 6.314 6.121 ( 0.000 3.210 5.437) 6.314 6.256 ( 0.000 3.881 -3.684) 5.352 6.256 ( 0.000 3.881 3.684) 5.352 6.316 ( 0.000 -3.082 -6.047) 6.787 6.316 ( 0.000 -3.082 6.047) 6.787 6.386 ( 0.000 1.028 -0.510) 1.147 6.386 ( 0.000 1.028 0.510) 1.147 6.622 ( 0.000 -1.481 -0.812) 1.688 6.622 ( 0.000 -1.481 0.812) 1.688 6.790 ( 0.000 -0.630 -0.508) 0.810 6.790 ( 0.000 -0.630 0.508) 0.810 7.162 ( 0.000 -11.533 -0.172) 11.534 7.162 ( 0.000 -11.533 0.172) 11.534 8.153 ( 0.000 -1.164 -0.860) 1.447 8.153 ( 0.000 -1.164 0.860) 1.447 8.227 ( 0.000 -0.800 -3.056) 3.159 8.227 ( 0.000 -0.800 3.056) 3.159 8.601 ( 0.000 -9.132 -2.128) 9.376 8.601 ( 0.000 -9.132 2.128) 9.376 8.737 ( 0.000 -6.353 -0.003) 6.353 8.737 ( 0.000 -6.353 0.003) 6.353 9.032 ( 0.000 3.559 -2.761) 4.505 9.032 ( 0.000 3.559 2.761) 4.505 9.196 ( 0.000 1.241 -1.010) 1.600 9.196 ( 0.000 1.241 1.010) 1.600 9.359 ( 0.000 -3.149 -0.232) 3.157 9.359 ( 0.000 -3.149 0.232) 3.157 9.585 ( 0.000 -8.365 -0.505) 8.380 9.585 ( 0.000 -8.365 0.505) 8.380 9.890 ( 0.000 1.946 -0.965) 2.172 9.890 ( 0.000 1.946 0.965) 2.172 10.030 ( 0.000 0.164 -1.399) 1.409 10.030 ( 0.000 0.164 1.399) 1.409 10.533 ( 0.000 -7.406 -0.495) 7.423 10.533 ( 0.000 -7.406 0.495) 7.423 10.664 ( 0.000 -9.652 -1.249) 9.733 10.664 ( 0.000 -9.652 1.249) 9.733 10.888 ( 0.000 1.319 -0.438) 1.390 10.888 ( 0.000 1.319 0.438) 1.390 10.969 ( 0.000 -2.787 -1.558) 3.193 10.969 ( 0.000 -2.787 1.558) 3.193 11.096 ( 0.000 6.208 -1.364) 6.356 11.096 ( 0.000 6.208 1.364) 6.356 11.208 ( 0.000 -0.744 -0.309) 0.805 11.208 ( 0.000 -0.744 0.309) 0.805 13.490 ( 0.000 4.256 -0.919) 4.354 13.490 ( 0.000 4.256 0.919) 4.354 13.578 ( 0.000 2.273 -0.706) 2.380 13.578 ( 0.000 2.273 0.706) 2.380 14.412 ( 0.000 1.259 -0.734) 1.457 14.412 ( 0.000 1.259 0.734) 1.457 14.552 ( 0.000 -1.157 -1.361) 1.787 14.552 ( 0.000 -1.157 1.361) 1.787 14.609 ( 0.000 1.630 -0.252) 1.650 14.609 ( 0.000 1.630 0.252) 1.650 14.659 ( 0.000 2.628 -1.351) 2.955 14.659 ( 0.000 2.628 1.351) 2.955 14.873 ( 0.000 -1.059 -4.792) 4.907 14.873 ( 0.000 -1.059 4.792) 4.907 14.964 ( 0.000 -1.072 -0.839) 1.362 14.964 ( 0.000 -1.072 0.839) 1.362 15.209 ( 0.000 2.010 -1.457) 2.482 15.209 ( 0.000 2.010 1.457) 2.482 15.256 ( 0.000 2.282 -0.829) 2.427 15.256 ( 0.000 2.282 0.829) 2.427 15.267 ( 0.000 -0.590 -2.242) 2.318 15.267 ( 0.000 -0.590 2.242) 2.318 15.367 ( 0.000 0.486 -1.378) 1.462 15.367 ( 0.000 0.486 1.378) 1.462 18.068 ( 0.000 -0.210 -0.444) 0.492 18.068 ( 0.000 -0.210 0.444) 0.492 18.105 ( 0.000 -0.438 -0.209) 0.485 18.105 ( 0.000 -0.438 0.209) 0.485 19.437 ( 0.000 0.172 -0.969) 0.984 19.437 ( 0.000 0.172 0.969) 0.984 19.594 ( 0.000 -2.491 -0.333) 2.513 19.594 ( 0.000 -2.491 0.333) 2.513 21.885 ( 0.000 8.105 -0.967) 8.162 21.885 ( 0.000 8.105 0.967) 8.162 22.104 ( 0.000 0.435 -1.286) 1.357 22.104 ( 0.000 0.435 1.286) 1.357 22.556 ( 0.000 -3.491 -0.472) 3.523 22.556 ( 0.000 -3.491 0.472) 3.523 22.713 ( 0.000 -1.577 -3.949) 4.252 22.713 ( 0.000 -1.577 3.949) 4.252 24.540 ( 0.000 0.409 -0.104) 0.422 24.540 ( 0.000 0.409 0.104) 0.422 24.549 ( 0.000 0.163 -0.111) 0.197 24.549 ( 0.000 0.163 0.111) 0.197 28.018 ( 0.000 3.329 -2.776) 4.335 28.018 ( 0.000 3.329 2.776) 4.335 28.191 ( 0.000 -4.576 -3.959) 6.050 28.191 ( 0.000 -4.576 3.959) 6.050 28.331 ( 0.000 -8.144 -8.808) 11.996 28.331 ( 0.000 -8.144 8.808) 11.996 29.144 ( 0.000 20.287 -9.010) 22.198 29.144 ( 0.000 20.287 9.010) 22.198 31.431 ( 0.000 0.014 -1.887) 1.887 31.431 ( 0.000 0.014 1.887) 1.887 31.702 ( 0.000 -1.968 -3.020) 3.604 31.702 ( 0.000 -1.968 3.020) 3.604 31.803 ( 0.000 1.133 -1.476) 1.861 31.803 ( 0.000 1.133 1.476) 1.861 32.313 ( 0.000 11.475 -2.354) 11.714 32.313 ( 0.000 11.475 2.354) 11.714 33.392 ( 0.000 -3.212 -2.706) 4.200 33.392 ( 0.000 -3.212 2.706) 4.200 33.662 ( 0.000 0.242 -2.093) 2.107 33.662 ( 0.000 0.242 2.093) 2.107 36.541 ( 0.000 0.662 -2.329) 2.421 36.541 ( 0.000 0.662 2.329) 2.421 36.813 ( 0.000 1.594 -4.783) 5.041 36.813 ( 0.000 1.594 4.783) 5.041 36.877 ( 0.000 0.693 -4.051) 4.110 36.877 ( 0.000 0.693 4.051) 4.110 37.038 ( 0.000 4.971 -6.523) 8.201 37.038 ( 0.000 4.971 6.523) 8.201 37.581 ( 0.000 -6.119 -6.332) 8.805 37.581 ( 0.000 -6.119 6.332) 8.805 38.114 ( 0.000 -16.233 -9.027) 18.574 38.114 ( 0.000 -16.233 9.027) 18.574 ======================= Grid point 114 (38/48) ======================= q-point: ( 0.17 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( 9.542 9.583 -11.968) 18.059 1.231 ( 9.542 9.583 11.968) 18.059 1.523 ( 6.797 24.011 -9.400) 26.666 1.523 ( 6.797 24.011 9.400) 26.666 1.870 ( 4.721 2.291 -12.833) 13.864 1.870 ( 4.721 2.291 12.833) 13.864 2.035 ( 0.259 16.091 -8.689) 18.289 2.035 ( 0.259 16.091 8.689) 18.289 2.320 ( -5.366 -5.363 -5.075) 9.127 2.320 ( -5.366 -5.363 5.075) 9.127 2.433 ( 0.235 -4.240 -9.270) 10.197 2.433 ( 0.235 -4.240 9.270) 10.197 2.498 ( 1.785 15.273 -16.809) 22.781 2.498 ( 1.785 15.273 16.809) 22.781 2.638 ( 0.062 2.251 -4.014) 4.603 2.638 ( 0.062 2.251 4.014) 4.603 2.720 ( -0.409 4.852 -3.641) 6.080 2.720 ( -0.409 4.852 3.641) 6.080 2.980 ( 2.781 1.855 -8.719) 9.338 2.980 ( 2.781 1.855 8.719) 9.338 3.119 ( -2.701 0.240 -1.232) 2.979 3.119 ( -2.701 0.240 1.232) 2.979 3.234 ( -5.161 9.229 -4.096) 11.340 3.234 ( -5.161 9.229 4.096) 11.340 3.497 ( -0.512 5.008 -3.051) 5.886 3.497 ( -0.512 5.008 3.051) 5.886 3.605 ( 0.675 3.173 -7.931) 8.569 3.605 ( 0.675 3.173 7.931) 8.569 3.851 ( -1.023 9.015 -2.618) 9.443 3.851 ( -1.023 9.015 2.618) 9.443 3.947 ( 5.498 -2.734 -4.068) 7.365 3.947 ( 5.498 -2.734 4.068) 7.365 4.133 ( -3.824 -3.447 -4.868) 7.085 4.133 ( -3.824 -3.447 4.868) 7.085 4.325 ( -1.491 1.516 -1.582) 2.650 4.325 ( -1.491 1.516 1.582) 2.650 4.439 ( 2.175 -1.330 -4.491) 5.164 4.439 ( 2.175 -1.330 4.491) 5.164 4.614 ( -0.900 -0.585 -2.546) 2.763 4.614 ( -0.900 -0.585 2.546) 2.763 4.704 ( -4.697 2.969 -3.254) 6.440 4.704 ( -4.697 2.969 3.254) 6.440 4.746 ( -5.618 2.327 -1.712) 6.317 4.746 ( -5.618 2.327 1.712) 6.317 4.816 ( -8.798 4.305 -0.676) 9.818 4.816 ( -8.798 4.305 0.676) 9.818 5.112 ( 0.195 -0.082 -0.456) 0.503 5.112 ( 0.195 -0.082 0.456) 0.503 5.202 ( -6.095 0.139 -4.937) 7.845 5.202 ( -6.095 0.139 4.937) 7.845 5.315 ( -0.116 3.624 -0.225) 3.633 5.315 ( -0.116 3.624 0.225) 3.633 5.619 ( -2.429 1.918 -4.482) 5.447 5.619 ( -2.429 1.918 4.482) 5.447 5.925 ( 0.820 0.906 -5.273) 5.413 5.925 ( 0.820 0.906 5.273) 5.413 6.015 ( -3.310 -1.284 -3.035) 4.671 6.015 ( -3.310 -1.284 3.035) 4.671 6.136 ( -4.969 -0.157 -5.478) 7.397 6.136 ( -4.969 -0.157 5.478) 7.397 6.177 ( -1.762 0.267 -1.155) 2.123 6.177 ( -1.762 0.267 1.155) 2.123 6.342 ( 9.810 4.437 -0.463) 10.777 6.342 ( 9.810 4.437 0.463) 10.777 6.515 ( 3.729 -1.266 -1.492) 4.211 6.515 ( 3.729 -1.266 1.492) 4.211 6.573 ( 2.071 0.975 -2.375) 3.299 6.573 ( 2.071 0.975 2.375) 3.299 6.875 ( 5.691 -0.915 -2.075) 6.126 6.875 ( 5.691 -0.915 2.075) 6.126 7.274 ( 5.510 -11.472 -10.174) 16.293 7.274 ( 5.510 -11.472 10.174) 16.293 8.153 ( -0.080 -0.820 -0.839) 1.176 8.153 ( -0.080 -0.820 0.839) 1.176 8.226 ( -0.033 -0.873 -2.461) 2.611 8.226 ( -0.033 -0.873 2.461) 2.611 8.601 ( 0.206 -8.127 -1.869) 8.342 8.601 ( 0.206 -8.127 1.869) 8.342 8.731 ( -0.676 -6.713 -0.679) 6.781 8.731 ( -0.676 -6.713 0.679) 6.781 9.037 ( 0.413 3.945 -2.193) 4.533 9.037 ( 0.413 3.945 2.193) 4.533 9.180 ( -1.492 1.701 -0.772) 2.391 9.180 ( -1.492 1.701 0.772) 2.391 9.379 ( 1.735 -4.284 -0.520) 4.652 9.379 ( 1.735 -4.284 0.520) 4.652 9.569 ( -1.383 -8.064 -0.779) 8.219 9.569 ( -1.383 -8.064 0.779) 8.219 9.888 ( -0.313 2.603 -0.468) 2.663 9.888 ( -0.313 2.603 0.468) 2.663 10.024 ( -0.409 0.260 -1.252) 1.342 10.024 ( -0.409 0.260 1.252) 1.342 10.549 ( 1.146 -8.295 -1.047) 8.439 10.549 ( 1.146 -8.295 1.047) 8.439 10.656 ( -0.534 -10.198 -1.747) 10.361 10.656 ( -0.534 -10.198 1.747) 10.361 10.903 ( 1.305 1.478 -0.754) 2.111 10.903 ( 1.305 1.478 0.754) 2.111 11.008 ( 3.089 -2.080 -1.584) 4.047 11.008 ( 3.089 -2.080 1.584) 4.047 11.076 ( -1.423 4.731 -1.147) 5.072 11.076 ( -1.423 4.731 1.147) 5.072 11.201 ( -0.216 -2.100 -2.095) 2.974 11.201 ( -0.216 -2.100 2.095) 2.974 13.494 ( 0.317 4.417 -0.812) 4.502 13.494 ( 0.317 4.417 0.812) 4.502 13.576 ( -0.156 2.462 -0.646) 2.550 13.576 ( -0.156 2.462 0.646) 2.550 14.412 ( 0.014 1.303 -0.695) 1.477 14.412 ( 0.014 1.303 0.695) 1.477 14.551 ( -0.051 -1.257 -1.092) 1.666 14.551 ( -0.051 -1.257 1.092) 1.666 14.608 ( 0.055 1.404 -0.506) 1.493 14.608 ( 0.055 1.404 0.506) 1.493 14.653 ( -0.610 2.554 -1.414) 2.983 14.653 ( -0.610 2.554 1.414) 2.983 14.859 ( -1.032 -0.962 -4.728) 4.934 14.859 ( -1.032 -0.962 4.728) 4.934 14.951 ( -1.231 -1.779 -1.338) 2.544 14.951 ( -1.231 -1.779 1.338) 2.544 15.190 ( -4.946 3.220 -4.197) 7.242 15.190 ( -4.946 3.220 4.197) 7.242 15.210 ( -0.013 2.540 -1.412) 2.906 15.210 ( -0.013 2.540 1.412) 2.906 15.267 ( 0.994 0.864 -0.934) 1.614 15.267 ( 0.994 0.864 0.934) 1.614 15.368 ( -0.234 -0.123 -1.018) 1.052 15.368 ( -0.234 -0.123 1.018) 1.052 18.082 ( 0.768 -0.672 -0.203) 1.041 18.082 ( 0.768 -0.672 0.203) 1.041 18.110 ( 0.469 -0.784 -0.036) 0.914 18.110 ( 0.469 -0.784 0.036) 0.914 19.430 ( -0.540 -0.021 -1.012) 1.147 19.430 ( -0.540 -0.021 1.012) 1.147 19.599 ( 0.137 -2.848 -1.581) 3.261 19.599 ( 0.137 -2.848 1.581) 3.261 21.873 ( -0.662 7.178 -1.929) 7.462 21.873 ( -0.662 7.178 1.929) 7.462 22.160 ( 4.036 -0.202 -2.787) 4.910 22.160 ( 4.036 -0.202 2.787) 4.910 22.525 ( -2.530 -2.609 -0.980) 3.764 22.525 ( -2.530 -2.609 0.980) 3.764 22.701 ( -0.923 -1.783 -3.396) 3.945 22.701 ( -0.923 -1.783 3.396) 3.945 24.541 ( 0.056 0.415 -0.095) 0.429 24.541 ( 0.056 0.415 0.095) 0.429 24.549 ( 0.034 0.193 -0.088) 0.215 24.549 ( 0.034 0.193 0.088) 0.215 28.042 ( 2.252 2.017 -2.099) 3.681 28.042 ( 2.252 2.017 2.099) 3.681 28.207 ( 2.154 -3.047 -1.557) 4.043 28.207 ( 2.154 -3.047 1.557) 4.043 28.377 ( 2.898 -6.234 -4.125) 8.017 28.377 ( 2.898 -6.234 4.125) 8.017 29.032 ( -9.386 17.815 -8.649) 21.915 29.032 ( -9.386 17.815 8.649) 21.915 31.445 ( 1.205 -0.095 -1.887) 2.241 31.445 ( 1.205 -0.095 1.887) 2.241 31.709 ( 0.485 -1.984 -2.857) 3.512 31.709 ( 0.485 -1.984 2.857) 3.512 31.815 ( 1.174 2.052 -1.212) 2.656 31.815 ( 1.174 2.052 1.212) 2.656 32.224 ( -6.884 10.341 -7.658) 14.593 32.224 ( -6.884 10.341 7.658) 14.593 33.398 ( 1.042 -3.300 -1.842) 3.920 33.398 ( 1.042 -3.300 1.842) 3.920 33.657 ( -0.991 -0.878 -1.328) 1.875 33.657 ( -0.991 -0.878 1.328) 1.875 36.558 ( 1.589 0.365 -2.540) 3.018 36.558 ( 1.589 0.365 2.540) 3.018 36.802 ( -1.018 1.740 -4.650) 5.068 36.802 ( -1.018 1.740 4.650) 5.068 36.843 ( -2.676 -0.927 -2.383) 3.702 36.843 ( -2.676 -0.927 2.383) 3.702 37.049 ( 0.555 6.280 -4.778) 7.910 37.049 ( 0.555 6.280 4.778) 7.910 37.443 ( -7.481 -4.098 -1.455) 8.653 37.443 ( -7.481 -4.098 1.455) 8.653 38.294 ( 10.811 -15.384 -1.861) 18.895 38.294 ( 10.811 -15.384 1.861) 18.895 ======================= Grid point 116 (39/48) ======================= q-point: ( 0.33 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( 5.910 16.483 -6.708) 18.751 1.402 ( 5.910 16.483 6.708) 18.751 1.720 ( 9.241 8.826 -9.479) 15.911 1.720 ( 9.241 8.826 9.479) 15.911 1.811 ( -8.014 8.249 -1.485) 11.597 1.811 ( -8.014 8.249 1.485) 11.597 2.101 ( 2.093 4.404 -9.832) 10.975 2.101 ( 2.093 4.404 9.832) 10.975 2.232 ( -0.825 -4.075 -7.665) 8.720 2.232 ( -0.825 -4.075 7.665) 8.720 2.401 ( -1.556 10.674 -5.615) 12.161 2.401 ( -1.556 10.674 5.615) 12.161 2.516 ( -1.525 16.151 -8.004) 18.090 2.516 ( -1.525 16.151 8.004) 18.090 2.690 ( 4.207 0.939 -5.036) 6.628 2.690 ( 4.207 0.939 5.036) 6.628 2.734 ( 1.427 2.738 -1.565) 3.462 2.734 ( 1.427 2.738 1.565) 3.462 2.992 ( -6.966 1.217 -7.330) 10.185 2.992 ( -6.966 1.217 7.330) 10.185 3.086 ( 0.030 3.693 -8.993) 9.722 3.086 ( 0.030 3.693 8.993) 9.722 3.172 ( 4.546 1.379 -1.181) 4.896 3.172 ( 4.546 1.379 1.181) 4.896 3.510 ( 4.113 4.331 -4.291) 7.355 3.510 ( 4.113 4.331 4.291) 7.355 3.652 ( 3.829 2.541 -3.756) 5.935 3.652 ( 3.829 2.541 3.756) 5.935 3.834 ( -0.398 8.394 -4.022) 9.316 3.834 ( -0.398 8.394 4.022) 9.316 4.006 ( -2.306 -2.024 -2.985) 4.281 4.006 ( -2.306 -2.024 2.985) 4.281 4.130 ( -0.585 -1.102 -1.461) 1.921 4.130 ( -0.585 -1.102 1.461) 1.921 4.206 ( -5.787 1.694 -6.436) 8.819 4.206 ( -5.787 1.694 6.436) 8.819 4.413 ( -7.188 1.613 -4.991) 8.898 4.413 ( -7.188 1.613 4.991) 8.898 4.472 ( -3.812 2.564 -2.436) 5.200 4.472 ( -3.812 2.564 2.436) 5.200 4.657 ( 3.132 4.065 -2.827) 5.859 4.657 ( 3.132 4.065 2.827) 5.859 4.699 ( -3.321 -0.900 -1.015) 3.588 4.699 ( -3.321 -0.900 1.015) 3.588 4.774 ( 3.660 3.518 -1.935) 5.432 4.774 ( 3.660 3.518 1.935) 5.432 5.030 ( -5.971 0.318 -5.685) 8.251 5.030 ( -5.971 0.318 5.685) 8.251 5.097 ( -2.924 3.084 -2.319) 4.841 5.097 ( -2.924 3.084 2.319) 4.841 5.316 ( -0.789 -1.905 -3.219) 3.823 5.316 ( -0.789 -1.905 3.219) 3.823 5.588 ( 0.152 0.785 -2.365) 2.497 5.588 ( 0.152 0.785 2.365) 2.497 5.837 ( -8.866 -1.229 -1.470) 9.071 5.837 ( -8.866 -1.229 1.470) 9.071 5.963 ( 1.806 2.005 -5.383) 6.021 5.963 ( 1.806 2.005 5.383) 6.021 6.086 ( -2.211 2.044 -6.455) 7.123 6.086 ( -2.211 2.044 6.455) 7.123 6.176 ( 2.638 -0.978 -5.596) 6.264 6.176 ( 2.638 -0.978 5.596) 6.264 6.405 ( -5.769 -3.006 -4.119) 7.699 6.405 ( -5.769 -3.006 4.119) 7.699 6.611 ( 10.040 3.568 -0.517) 10.668 6.611 ( 10.040 3.568 0.517) 10.668 6.764 ( 7.952 1.071 -1.136) 8.103 6.764 ( 7.952 1.071 1.136) 8.103 7.006 ( 6.352 -1.520 -2.528) 7.003 7.006 ( 6.352 -1.520 2.528) 7.003 7.298 ( -2.959 -7.879 -6.729) 10.776 7.298 ( -2.959 -7.879 6.729) 10.776 8.149 ( -0.303 -0.418 -0.442) 0.679 8.149 ( -0.303 -0.418 0.442) 0.679 8.226 ( 0.023 -0.768 -1.106) 1.347 8.226 ( 0.023 -0.768 1.106) 1.347 8.613 ( 0.846 -7.261 -1.341) 7.432 8.613 ( 0.846 -7.261 1.341) 7.432 8.707 ( -1.291 -6.740 -0.923) 6.924 8.707 ( -1.291 -6.740 0.923) 6.924 9.050 ( 0.903 4.115 -1.361) 4.428 9.050 ( 0.903 4.115 1.361) 4.428 9.135 ( -2.441 2.895 -0.257) 3.795 9.135 ( -2.441 2.895 0.257) 3.795 9.425 ( 2.350 -6.183 -0.786) 6.661 9.425 ( 2.350 -6.183 0.786) 6.661 9.529 ( -2.219 -7.691 -0.979) 8.065 9.529 ( -2.219 -7.691 0.979) 8.065 9.875 ( -0.708 3.791 -0.216) 3.862 9.875 ( -0.708 3.791 0.216) 3.862 10.017 ( -0.187 0.323 -0.733) 0.822 10.017 ( -0.187 0.323 0.733) 0.822 10.566 ( 0.234 -9.448 -0.994) 9.503 10.566 ( 0.234 -9.448 0.994) 9.503 10.654 ( 0.385 -11.488 -1.678) 11.616 10.654 ( 0.385 -11.488 1.678) 11.616 10.937 ( 1.666 1.777 -0.782) 2.558 10.937 ( 1.666 1.777 0.782) 2.558 11.020 ( -1.512 3.518 -0.656) 3.884 11.020 ( -1.512 3.518 0.656) 3.884 11.112 ( 3.964 -3.435 -1.372) 5.421 11.112 ( 3.964 -3.435 1.372) 5.421 11.201 ( -0.035 -2.948 -1.226) 3.193 11.201 ( -0.035 -2.948 1.226) 3.193 13.503 ( 0.412 4.812 -0.509) 4.857 13.503 ( 0.412 4.812 0.509) 4.857 13.572 ( -0.204 2.799 -0.436) 2.840 13.572 ( -0.204 2.799 0.436) 2.840 14.413 ( 0.013 1.212 -0.447) 1.292 14.413 ( 0.013 1.212 0.447) 1.292 14.550 ( -0.073 -1.477 -0.573) 1.586 14.550 ( -0.073 -1.477 0.573) 1.586 14.613 ( 0.332 1.336 -0.491) 1.461 14.613 ( 0.332 1.336 0.491) 1.461 14.636 ( -0.745 2.131 -1.171) 2.543 14.636 ( -0.745 2.131 1.171) 2.543 14.842 ( -0.412 -0.745 -3.680) 3.777 14.842 ( -0.412 -0.745 3.680) 3.777 14.914 ( -1.907 -2.846 -2.015) 3.974 14.914 ( -1.907 -2.846 2.015) 3.974 15.112 ( -2.052 5.429 -2.112) 6.176 15.112 ( -2.052 5.429 2.112) 6.176 15.206 ( -0.274 2.797 -0.913) 2.955 15.206 ( -0.274 2.797 0.913) 2.955 15.295 ( 1.392 0.599 -0.826) 1.726 15.295 ( 1.392 0.599 0.826) 1.726 15.356 ( -0.761 -0.358 -0.310) 0.897 15.356 ( -0.761 -0.358 0.310) 0.897 18.094 ( 0.493 -0.831 -0.485) 1.081 18.094 ( 0.493 -0.831 0.485) 1.081 18.117 ( -0.037 -1.260 -0.370) 1.314 18.117 ( -0.037 -1.260 0.370) 1.314 19.419 ( -0.417 -0.355 -0.769) 0.944 19.419 ( -0.417 -0.355 0.769) 0.944 19.594 ( -0.499 -3.006 -1.475) 3.386 19.594 ( -0.499 -3.006 1.475) 3.386 21.864 ( -0.152 6.150 -1.628) 6.363 21.864 ( -0.152 6.150 1.628) 6.363 22.238 ( 2.749 -1.312 -2.607) 4.009 22.238 ( 2.749 -1.312 2.607) 4.009 22.468 ( -2.306 -1.249 -1.136) 2.858 22.468 ( -2.306 -1.249 1.136) 2.858 22.681 ( -0.816 -2.056 -1.946) 2.946 22.681 ( -0.816 -2.056 1.946) 2.946 24.542 ( 0.043 0.415 -0.061) 0.422 24.542 ( 0.043 0.415 0.061) 0.422 24.550 ( 0.044 0.258 -0.040) 0.265 24.550 ( 0.044 0.258 0.040) 0.265 28.110 ( 3.702 -0.912 -1.389) 4.058 28.110 ( 3.702 -0.912 1.389) 4.058 28.277 ( 3.178 -1.307 -1.853) 3.904 28.277 ( 3.178 -1.307 1.853) 3.904 28.432 ( 3.009 -0.229 -3.734) 4.801 28.432 ( 3.009 -0.229 3.734) 4.801 28.793 ( -11.620 11.807 -8.851) 18.782 28.793 ( -11.620 11.807 8.851) 18.782 31.476 ( 1.395 -0.369 -1.445) 2.042 31.476 ( 1.395 -0.369 1.445) 2.042 31.716 ( 0.077 -2.297 -2.175) 3.165 31.716 ( 0.077 -2.297 2.175) 3.165 31.854 ( 2.379 4.576 -0.929) 5.240 31.854 ( 2.379 4.576 0.929) 5.240 32.071 ( -6.460 7.548 -7.251) 12.300 32.071 ( -6.460 7.548 7.251) 12.300 33.445 ( 3.171 -3.420 -1.319) 4.847 33.445 ( 3.171 -3.420 1.319) 4.847 33.610 ( -3.207 -2.304 -1.125) 4.106 33.610 ( -3.207 -2.304 1.125) 4.106 36.603 ( 2.270 0.047 -2.303) 3.234 36.603 ( 2.270 0.047 2.303) 3.234 36.766 ( -2.298 -1.387 -2.504) 3.671 36.766 ( -2.298 -1.387 2.504) 3.671 36.790 ( -1.597 0.277 -4.159) 4.464 36.790 ( -1.597 0.277 4.159) 4.464 37.050 ( -0.344 6.582 -2.404) 7.015 37.050 ( -0.344 6.582 2.404) 7.015 37.341 ( -2.209 -0.517 -0.564) 2.338 37.341 ( -2.209 -0.517 0.564) 2.338 38.471 ( 5.194 -13.318 -0.728) 14.314 38.471 ( 5.194 -13.318 0.728) 14.314 ======================= Grid point 118 (40/48) ======================= q-point: (-0.50 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( 0.000 21.567 0.000) 21.567 1.480 ( 0.000 21.567 0.000) 21.567 1.663 ( 0.000 4.898 0.000) 4.898 1.663 ( 0.000 4.898 0.000) 4.898 1.880 ( 0.000 3.288 -0.000) 3.288 1.880 ( -0.000 3.288 0.000) 3.288 2.068 ( -0.000 3.891 -0.000) 3.891 2.068 ( 0.000 3.891 0.000) 3.891 2.237 ( 0.000 -8.131 -0.000) 8.131 2.237 ( 0.000 -8.131 0.000) 8.131 2.424 ( 0.000 28.890 -0.000) 28.890 2.424 ( 0.000 28.890 0.000) 28.890 2.482 ( 0.000 11.342 -0.000) 11.342 2.482 ( -0.000 11.342 0.000) 11.342 2.702 ( 0.000 -8.873 -0.000) 8.873 2.702 ( 0.000 -8.873 0.000) 8.873 2.771 ( 0.000 3.639 0.000) 3.639 2.771 ( 0.000 3.639 0.000) 3.639 2.951 ( 0.000 -0.738 0.000) 0.738 2.951 ( 0.000 -0.738 0.000) 0.738 2.997 ( -0.000 13.715 -0.000) 13.715 2.997 ( 0.000 13.715 -0.000) 13.715 3.279 ( 0.000 -7.875 0.000) 7.875 3.279 ( 0.000 -7.875 0.000) 7.875 3.642 ( -0.000 -0.583 -0.000) 0.583 3.642 ( 0.000 -0.583 0.000) 0.583 3.745 ( 0.000 7.169 -0.000) 7.169 3.745 ( 0.000 7.169 0.000) 7.169 3.786 ( -0.000 6.105 -0.000) 6.105 3.786 ( -0.000 6.105 0.000) 6.105 3.969 ( 0.000 6.127 -0.000) 6.127 3.969 ( 0.000 6.127 0.000) 6.127 4.013 ( -0.000 5.176 -0.000) 5.176 4.013 ( -0.000 5.176 0.000) 5.176 4.134 ( 0.000 1.167 0.000) 1.167 4.134 ( 0.000 1.167 0.000) 1.167 4.367 ( 0.000 2.425 -0.000) 2.425 4.367 ( 0.000 2.425 0.000) 2.425 4.437 ( 0.000 -3.072 0.000) 3.072 4.437 ( 0.000 -3.072 0.000) 3.072 4.653 ( 0.000 -3.169 0.000) 3.169 4.653 ( 0.000 -3.169 0.000) 3.169 4.728 ( 0.000 5.972 -0.000) 5.972 4.728 ( 0.000 5.972 0.000) 5.972 4.808 ( -0.000 1.479 -0.000) 1.479 4.808 ( 0.000 1.479 0.000) 1.479 4.970 ( 0.000 -0.520 0.000) 0.520 4.970 ( 0.000 -0.520 0.000) 0.520 5.058 ( 0.000 5.454 0.000) 5.454 5.058 ( 0.000 5.454 0.000) 5.454 5.292 ( 0.000 -2.984 0.000) 2.984 5.292 ( 0.000 -2.984 0.000) 2.984 5.616 ( -0.000 -2.436 0.000) 2.436 5.616 ( 0.000 -2.436 0.000) 2.436 5.708 ( 0.000 1.347 -0.000) 1.347 5.708 ( 0.000 1.347 0.000) 1.347 5.997 ( 0.000 3.175 -0.000) 3.175 5.997 ( 0.000 3.175 0.000) 3.175 6.045 ( 0.000 1.791 -0.000) 1.791 6.045 ( 0.000 1.791 0.000) 1.791 6.258 ( -0.000 -2.546 0.000) 2.546 6.258 ( 0.000 -2.546 0.000) 2.546 6.290 ( 0.000 -2.087 -0.000) 2.087 6.290 ( 0.000 -2.087 -0.000) 2.087 6.730 ( 0.000 2.944 0.000) 2.944 6.730 ( 0.000 2.944 0.000) 2.944 6.853 ( 0.000 0.464 0.000) 0.464 6.853 ( 0.000 0.464 0.000) 0.464 7.114 ( 0.000 -3.101 -0.000) 3.101 7.114 ( -0.000 -3.101 0.000) 3.101 7.219 ( 0.000 -4.210 0.000) 4.210 7.219 ( 0.000 -4.210 0.000) 4.210 8.145 ( 0.000 -0.339 0.000) 0.339 8.145 ( 0.000 -0.339 0.000) 0.339 8.226 ( 0.000 -0.617 0.000) 0.617 8.226 ( 0.000 -0.617 0.000) 0.617 8.627 ( 0.000 -7.286 0.000) 7.286 8.627 ( 0.000 -7.286 0.000) 7.286 8.689 ( 0.000 -6.468 0.000) 6.468 8.689 ( 0.000 -6.468 0.000) 6.468 9.076 ( 0.000 2.431 0.000) 2.431 9.076 ( 0.000 2.431 0.000) 2.431 9.090 ( 0.000 5.117 0.000) 5.117 9.090 ( 0.000 5.117 0.000) 5.117 9.470 ( 0.000 -7.554 -0.000) 7.554 9.470 ( 0.000 -7.554 0.000) 7.554 9.485 ( -0.000 -7.057 -0.000) 7.057 9.485 ( -0.000 -7.057 0.000) 7.057 9.866 ( 0.000 4.204 0.000) 4.204 9.866 ( 0.000 4.204 0.000) 4.204 10.015 ( 0.000 0.398 0.000) 0.398 10.015 ( 0.000 0.398 0.000) 0.398 10.566 ( 0.000 -9.926 0.000) 9.926 10.566 ( 0.000 -9.926 0.000) 9.926 10.660 ( 0.000 -11.964 0.000) 11.964 10.660 ( 0.000 -11.964 0.000) 11.964 10.963 ( 0.000 2.270 0.000) 2.270 10.963 ( 0.000 2.270 0.000) 2.270 10.996 ( 0.000 2.327 0.000) 2.327 10.996 ( 0.000 2.327 0.000) 2.327 11.174 ( -0.000 -3.932 0.000) 3.932 11.174 ( -0.000 -3.932 0.000) 3.932 11.189 ( 0.000 -2.958 0.000) 2.958 11.189 ( 0.000 -2.958 0.000) 2.958 13.508 ( 0.000 5.069 0.000) 5.069 13.508 ( 0.000 5.069 0.000) 5.069 13.569 ( 0.000 2.927 0.000) 2.927 13.569 ( 0.000 2.927 0.000) 2.927 14.413 ( 0.000 1.085 0.000) 1.085 14.413 ( 0.000 1.085 0.000) 1.085 14.549 ( 0.000 -1.620 0.000) 1.620 14.549 ( 0.000 -1.620 0.000) 1.620 14.618 ( 0.000 2.039 -0.000) 2.039 14.618 ( 0.000 2.039 0.000) 2.039 14.627 ( 0.000 1.301 0.000) 1.301 14.627 ( -0.000 1.301 0.000) 1.301 14.840 ( 0.000 -0.536 -0.000) 0.536 14.840 ( 0.000 -0.536 0.000) 0.536 14.889 ( 0.000 -3.240 -0.000) 3.240 14.889 ( 0.000 -3.240 0.000) 3.240 15.092 ( 0.000 5.770 -0.000) 5.770 15.092 ( 0.000 5.770 0.000) 5.770 15.203 ( 0.000 2.769 0.000) 2.769 15.203 ( 0.000 2.769 0.000) 2.769 15.316 ( 0.000 0.793 0.000) 0.793 15.316 ( 0.000 0.793 0.000) 0.793 15.343 ( 0.000 -0.626 0.000) 0.626 15.343 ( 0.000 -0.626 0.000) 0.626 18.103 ( 0.000 -0.809 0.000) 0.809 18.103 ( 0.000 -0.809 0.000) 0.809 18.112 ( -0.000 -1.403 0.000) 1.403 18.112 ( 0.000 -1.403 0.000) 1.403 19.414 ( 0.000 -0.509 0.000) 0.509 19.414 ( 0.000 -0.509 0.000) 0.509 19.587 ( 0.000 -2.957 0.000) 2.957 19.587 ( 0.000 -2.957 0.000) 2.957 21.863 ( 0.000 5.788 0.000) 5.788 21.863 ( 0.000 5.788 0.000) 5.788 22.270 ( 0.000 -1.842 0.000) 1.842 22.270 ( 0.000 -1.842 0.000) 1.842 22.440 ( 0.000 -0.601 -0.000) 0.601 22.440 ( 0.000 -0.601 0.000) 0.601 22.671 ( 0.000 -2.141 0.000) 2.141 22.671 ( 0.000 -2.141 0.000) 2.141 24.543 ( 0.000 0.414 0.000) 0.414 24.543 ( 0.000 0.414 0.000) 0.414 24.551 ( 0.000 0.292 0.000) 0.292 24.551 ( 0.000 0.292 0.000) 0.292 28.164 ( 0.000 -4.193 0.000) 4.193 28.164 ( 0.000 -4.193 0.000) 4.193 28.303 ( 0.000 1.232 0.000) 1.232 28.303 ( 0.000 1.232 0.000) 1.232 28.555 ( 0.000 8.886 -0.000) 8.886 28.555 ( 0.000 8.886 0.000) 8.886 28.570 ( -0.000 2.724 -0.000) 2.724 28.570 ( -0.000 2.724 0.000) 2.724 31.493 ( 0.000 -0.553 0.000) 0.553 31.493 ( 0.000 -0.553 0.000) 0.553 31.715 ( 0.000 -2.382 0.000) 2.382 31.715 ( 0.000 -2.382 0.000) 2.382 31.900 ( 0.000 7.528 -0.000) 7.528 31.900 ( 0.000 7.528 0.000) 7.528 31.979 ( 0.000 4.516 0.000) 4.516 31.979 ( 0.000 4.516 0.000) 4.516 33.513 ( -0.000 -3.067 -0.000) 3.067 33.513 ( 0.000 -3.067 0.000) 3.067 33.541 ( -0.000 -3.210 0.000) 3.210 33.541 ( 0.000 -3.210 0.000) 3.210 36.636 ( 0.000 0.594 0.000) 0.594 36.636 ( 0.000 0.594 0.000) 0.594 36.732 ( 0.000 -4.252 0.000) 4.252 36.732 ( 0.000 -4.252 0.000) 4.252 36.773 ( 0.000 1.753 -0.000) 1.753 36.773 ( 0.000 1.753 0.000) 1.753 37.044 ( 0.000 6.078 0.000) 6.078 37.044 ( 0.000 6.078 0.000) 6.078 37.321 ( 0.000 1.335 0.000) 1.335 37.321 ( 0.000 1.335 0.000) 1.335 38.525 ( 0.000 -12.362 0.000) 12.362 38.525 ( 0.000 -12.362 0.000) 12.362 ======================= Grid point 126 (41/48) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( 0.000 13.802 -12.870) 18.872 1.353 ( 0.000 13.802 12.870) 18.872 1.669 ( 0.000 1.112 -18.876) 18.909 1.669 ( 0.000 1.112 18.876) 18.909 1.852 ( 0.000 0.687 -5.476) 5.519 1.852 ( 0.000 0.687 5.476) 5.519 2.135 ( 0.000 -5.352 -4.252) 6.835 2.135 ( 0.000 -5.352 4.252) 6.835 2.164 ( 0.000 -11.566 -1.136) 11.621 2.164 ( 0.000 -11.566 1.136) 11.621 2.473 ( 0.000 -0.527 -9.705) 9.719 2.473 ( 0.000 -0.527 9.705) 9.719 2.682 ( 0.000 10.063 -2.266) 10.315 2.682 ( 0.000 10.063 2.266) 10.315 2.810 ( 0.000 4.730 -3.599) 5.944 2.810 ( 0.000 4.730 3.599) 5.944 2.881 ( 0.000 2.962 -0.733) 3.052 2.881 ( 0.000 2.962 0.733) 3.052 3.021 ( 0.000 2.882 -2.663) 3.924 3.021 ( 0.000 2.882 2.663) 3.924 3.260 ( 0.000 17.944 -4.079) 18.402 3.260 ( 0.000 17.944 4.079) 18.402 3.578 ( 0.000 2.786 -0.169) 2.791 3.578 ( 0.000 2.786 0.169) 2.791 3.655 ( 0.000 18.089 -2.407) 18.249 3.655 ( 0.000 18.089 2.407) 18.249 3.728 ( 0.000 11.027 -8.750) 14.077 3.728 ( 0.000 11.027 8.750) 14.077 3.958 ( 0.000 1.019 -2.389) 2.597 3.958 ( 0.000 1.019 2.389) 2.597 4.024 ( 0.000 5.084 -2.732) 5.772 4.024 ( 0.000 5.084 2.732) 5.772 4.206 ( 0.000 1.663 -3.456) 3.836 4.206 ( 0.000 1.663 3.456) 3.836 4.290 ( 0.000 0.100 -4.095) 4.096 4.290 ( 0.000 0.100 4.095) 4.096 4.363 ( 0.000 0.243 -1.963) 1.978 4.363 ( 0.000 0.243 1.963) 1.978 4.605 ( 0.000 2.631 -2.574) 3.680 4.605 ( 0.000 2.631 2.574) 3.680 4.761 ( 0.000 -2.620 -1.479) 3.009 4.761 ( 0.000 -2.620 1.479) 3.009 4.834 ( 0.000 -1.781 -1.637) 2.419 4.834 ( 0.000 -1.781 1.637) 2.419 4.996 ( 0.000 -1.729 -0.610) 1.833 4.996 ( 0.000 -1.729 0.610) 1.833 5.100 ( 0.000 3.964 -3.713) 5.432 5.100 ( 0.000 3.964 3.713) 5.432 5.261 ( 0.000 -1.015 -5.383) 5.478 5.261 ( 0.000 -1.015 5.383) 5.478 5.376 ( 0.000 -0.978 -1.323) 1.646 5.376 ( 0.000 -0.978 1.323) 1.646 5.772 ( 0.000 6.095 -4.147) 7.372 5.772 ( 0.000 6.095 4.147) 7.372 5.920 ( 0.000 0.383 -0.161) 0.416 5.920 ( 0.000 0.383 0.161) 0.416 6.032 ( 0.000 0.506 -0.040) 0.507 6.032 ( 0.000 0.506 0.040) 0.507 6.182 ( 0.000 -1.097 -0.855) 1.391 6.182 ( 0.000 -1.097 0.855) 1.391 6.222 ( 0.000 2.578 -2.763) 3.779 6.222 ( 0.000 2.578 2.763) 3.779 6.337 ( 0.000 -0.219 -1.397) 1.414 6.337 ( 0.000 -0.219 1.397) 1.414 6.445 ( 0.000 4.318 -0.435) 4.340 6.445 ( 0.000 4.318 0.435) 4.340 6.582 ( 0.000 -2.391 -2.401) 3.389 6.582 ( 0.000 -2.391 2.401) 3.389 6.775 ( 0.000 -0.609 -0.018) 0.609 6.775 ( 0.000 -0.609 0.018) 0.609 6.948 ( 0.000 -7.365 -2.483) 7.772 6.948 ( 0.000 -7.365 2.483) 7.772 8.121 ( 0.000 -1.711 -0.361) 1.749 8.121 ( 0.000 -1.711 0.361) 1.749 8.199 ( 0.000 -2.030 -1.807) 2.718 8.199 ( 0.000 -2.030 1.807) 2.718 8.414 ( 0.000 -7.196 -0.045) 7.196 8.414 ( 0.000 -7.196 0.045) 7.196 8.550 ( 0.000 -10.313 -0.718) 10.338 8.550 ( 0.000 -10.313 0.718) 10.338 9.091 ( 0.000 1.756 -2.173) 2.794 9.091 ( 0.000 1.756 2.173) 2.794 9.195 ( 0.000 -1.710 -0.598) 1.811 9.195 ( 0.000 -1.710 0.598) 1.811 9.302 ( 0.000 -1.601 -0.755) 1.770 9.302 ( 0.000 -1.601 0.755) 1.770 9.454 ( 0.000 -2.982 -1.736) 3.450 9.454 ( 0.000 -2.982 1.736) 3.450 9.933 ( 0.000 2.118 -1.103) 2.388 9.933 ( 0.000 2.118 1.103) 2.388 10.026 ( 0.000 -0.201 -0.256) 0.326 10.026 ( 0.000 -0.201 0.256) 0.326 10.350 ( 0.000 -8.323 -0.412) 8.333 10.350 ( 0.000 -8.323 0.412) 8.333 10.423 ( 0.000 -10.951 -1.195) 11.016 10.423 ( 0.000 -10.951 1.195) 11.016 10.914 ( 0.000 0.925 -0.192) 0.945 10.914 ( 0.000 0.925 0.192) 0.945 10.933 ( 0.000 -0.768 -0.038) 0.769 10.933 ( 0.000 -0.768 0.038) 0.769 11.097 ( 0.000 -1.964 -0.039) 1.965 11.097 ( 0.000 -1.964 0.039) 1.965 11.294 ( 0.000 4.432 -0.930) 4.529 11.294 ( 0.000 4.432 0.930) 4.529 13.578 ( 0.000 3.348 -0.463) 3.380 13.578 ( 0.000 3.348 0.463) 3.380 13.628 ( 0.000 2.115 -0.503) 2.174 13.628 ( 0.000 2.115 0.503) 2.174 14.446 ( 0.000 1.795 -0.698) 1.926 14.446 ( 0.000 1.795 0.698) 1.926 14.525 ( 0.000 -1.347 -0.827) 1.581 14.525 ( 0.000 -1.347 0.827) 1.581 14.645 ( 0.000 1.695 -0.165) 1.703 14.645 ( 0.000 1.695 0.165) 1.703 14.709 ( 0.000 1.954 -2.276) 3.000 14.709 ( 0.000 1.954 2.276) 3.000 14.841 ( 0.000 -1.946 -3.783) 4.254 14.841 ( 0.000 -1.946 3.783) 4.254 14.943 ( 0.000 -0.869 -1.072) 1.380 14.943 ( 0.000 -0.869 1.072) 1.380 15.235 ( 0.000 0.003 -0.379) 0.379 15.235 ( 0.000 0.003 0.379) 0.379 15.261 ( 0.000 0.414 -1.619) 1.671 15.261 ( 0.000 0.414 1.619) 1.671 15.301 ( 0.000 2.279 -2.119) 3.112 15.301 ( 0.000 2.279 2.119) 3.112 15.375 ( 0.000 -0.154 -0.765) 0.781 15.375 ( 0.000 -0.154 0.765) 0.781 18.068 ( 0.000 0.259 -0.230) 0.347 18.068 ( 0.000 0.259 0.230) 0.347 18.094 ( 0.000 -0.612 -0.240) 0.657 18.094 ( 0.000 -0.612 0.240) 0.657 19.447 ( 0.000 0.727 -0.143) 0.741 19.447 ( 0.000 0.727 0.143) 0.741 19.542 ( 0.000 -2.229 -1.014) 2.449 19.542 ( 0.000 -2.229 1.014) 2.449 22.046 ( 0.000 6.124 -0.897) 6.189 22.046 ( 0.000 6.124 0.897) 6.189 22.117 ( 0.000 0.627 -0.691) 0.933 22.117 ( 0.000 0.627 0.691) 0.933 22.499 ( 0.000 -1.425 -2.117) 2.552 22.499 ( 0.000 -1.425 2.117) 2.552 22.664 ( 0.000 -2.830 -3.440) 4.455 22.664 ( 0.000 -2.830 3.440) 4.455 24.549 ( 0.000 0.341 -0.014) 0.341 24.549 ( 0.000 0.341 0.014) 0.341 24.553 ( 0.000 0.174 -0.004) 0.174 24.553 ( 0.000 0.174 0.004) 0.174 28.059 ( 0.000 -0.176 -0.029) 0.179 28.059 ( 0.000 -0.176 0.029) 0.179 28.139 ( 0.000 0.785 -1.239) 1.467 28.139 ( 0.000 0.785 1.239) 1.467 28.226 ( 0.000 -3.250 -6.748) 7.490 28.226 ( 0.000 -3.250 6.748) 7.490 29.457 ( 0.000 9.540 -6.749) 11.686 29.457 ( 0.000 9.540 6.749) 11.686 31.451 ( 0.000 1.987 -0.250) 2.002 31.451 ( 0.000 1.987 0.250) 2.002 31.606 ( 0.000 -4.931 -3.892) 6.282 31.606 ( 0.000 -4.931 3.892) 6.282 31.914 ( 0.000 5.948 -0.076) 5.949 31.914 ( 0.000 5.948 0.076) 5.949 32.483 ( 0.000 4.448 -3.461) 5.636 32.483 ( 0.000 4.448 3.461) 5.636 33.314 ( 0.000 -3.548 -1.861) 4.007 33.314 ( 0.000 -3.548 1.861) 4.007 33.667 ( 0.000 0.170 -1.337) 1.347 33.667 ( 0.000 0.170 1.337) 1.347 36.553 ( 0.000 0.445 -1.644) 1.703 36.553 ( 0.000 0.445 1.644) 1.703 36.817 ( 0.000 -0.661 -5.518) 5.557 36.817 ( 0.000 -0.661 5.518) 5.557 36.944 ( 0.000 4.982 -2.162) 5.431 36.944 ( 0.000 4.982 2.162) 5.431 37.166 ( 0.000 5.988 -4.832) 7.694 37.166 ( 0.000 5.988 4.832) 7.694 37.426 ( 0.000 -6.887 -4.417) 8.182 37.426 ( 0.000 -6.887 4.417) 8.182 37.792 ( 0.000 -12.970 -10.814) 16.887 37.792 ( 0.000 -12.970 10.814) 16.887 ======================= Grid point 128 (42/48) ======================= q-point: ( 0.17 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( 6.115 10.344 -8.465) 14.698 1.436 ( 6.115 10.344 8.465) 14.698 1.721 ( 3.340 0.708 -15.421) 15.794 1.721 ( 3.340 0.708 15.421) 15.794 1.873 ( 2.591 -2.562 -6.663) 7.595 1.873 ( 2.591 -2.562 6.663) 7.595 2.158 ( 1.304 -7.214 -2.800) 7.847 2.158 ( 1.304 -7.214 2.800) 7.847 2.178 ( 0.408 -2.238 -4.297) 4.862 2.178 ( 0.408 -2.238 4.297) 4.862 2.388 ( -4.278 -1.093 -5.620) 7.147 2.388 ( -4.278 -1.093 5.620) 7.147 2.737 ( 2.542 8.926 -1.977) 9.489 2.737 ( 2.542 8.926 1.977) 9.489 2.809 ( 2.155 4.061 -1.455) 4.822 2.809 ( 2.155 4.061 1.455) 4.822 2.935 ( 1.755 4.962 -4.411) 6.867 2.935 ( 1.755 4.962 4.411) 6.867 3.063 ( 3.043 -2.194 -6.875) 7.832 3.063 ( 3.043 -2.194 6.875) 7.832 3.224 ( -1.933 21.792 -4.059) 22.251 3.224 ( -1.933 21.792 4.059) 22.251 3.541 ( -3.681 10.449 -2.810) 11.429 3.541 ( -3.681 10.449 2.810) 11.429 3.638 ( -0.638 14.326 -1.427) 14.411 3.638 ( -0.638 14.326 1.427) 14.411 3.703 ( -2.925 5.821 -4.822) 8.105 3.703 ( -2.925 5.821 4.822) 8.105 3.939 ( 0.505 2.318 -3.571) 4.287 3.939 ( 0.505 2.318 3.571) 4.287 4.016 ( -3.533 4.295 -3.526) 6.585 4.016 ( -3.533 4.295 3.526) 6.585 4.087 ( -2.702 1.435 -5.803) 6.560 4.087 ( -2.702 1.435 5.803) 6.560 4.319 ( -1.253 -1.679 -2.798) 3.495 4.319 ( -1.253 -1.679 2.798) 3.495 4.402 ( 4.535 -1.882 -3.645) 6.115 4.402 ( 4.535 -1.882 3.645) 6.115 4.613 ( -0.119 1.350 -1.390) 1.941 4.613 ( -0.119 1.350 1.390) 1.941 4.751 ( -5.115 -2.082 -1.398) 5.697 4.751 ( -5.115 -2.082 1.398) 5.697 4.804 ( 1.529 4.854 -3.826) 6.367 4.804 ( 1.529 4.854 3.826) 6.367 4.922 ( -7.817 4.516 -1.288) 9.119 4.922 ( -7.817 4.516 1.288) 9.119 5.098 ( -0.012 -0.702 -1.565) 1.715 5.098 ( -0.012 -0.702 1.565) 1.715 5.192 ( -4.452 -0.878 -4.186) 6.174 5.192 ( -4.452 -0.878 4.186) 6.174 5.345 ( -2.916 -1.324 -1.212) 3.424 5.345 ( -2.916 -1.324 1.212) 3.424 5.712 ( -4.171 5.959 -2.990) 7.864 5.712 ( -4.171 5.959 2.990) 7.864 5.933 ( 0.192 -0.174 -5.366) 5.372 5.933 ( 0.192 -0.174 5.366) 5.372 5.984 ( -5.239 -2.032 -3.676) 6.715 5.984 ( -5.239 -2.032 3.676) 6.715 6.130 ( -1.521 1.454 -1.483) 2.574 6.130 ( -1.521 1.454 1.483) 2.574 6.226 ( -1.114 2.761 -3.686) 4.738 6.226 ( -1.114 2.761 3.686) 4.738 6.384 ( 2.580 -1.638 -1.448) 3.382 6.384 ( 2.580 -1.638 1.448) 3.382 6.516 ( 3.524 2.271 -1.014) 4.313 6.516 ( 3.524 2.271 1.014) 4.313 6.599 ( 7.492 1.125 -1.657) 7.755 6.599 ( 7.492 1.125 1.657) 7.755 6.854 ( 5.335 -0.907 -1.812) 5.707 6.854 ( 5.335 -0.907 1.812) 5.707 7.050 ( 6.271 -8.189 -4.489) 11.249 7.050 ( 6.271 -8.189 4.489) 11.249 8.127 ( 0.371 -1.584 -0.919) 1.868 8.127 ( 0.371 -1.584 0.919) 1.868 8.196 ( -0.191 -2.093 -1.616) 2.652 8.196 ( -0.191 -2.093 1.616) 2.652 8.421 ( 0.641 -7.394 -0.863) 7.472 8.421 ( 0.641 -7.394 0.863) 7.472 8.541 ( -0.846 -10.293 -1.010) 10.377 8.541 ( -0.846 -10.293 1.010) 10.377 9.101 ( 0.736 1.673 -1.753) 2.533 9.101 ( 0.736 1.673 1.753) 2.533 9.188 ( -0.543 -1.487 -0.630) 1.704 9.188 ( -0.543 -1.487 0.630) 1.704 9.308 ( 0.487 -1.606 -0.956) 1.931 9.308 ( 0.487 -1.606 0.956) 1.931 9.439 ( -1.370 -2.978 -1.690) 3.688 9.439 ( -1.370 -2.978 1.690) 3.688 9.941 ( 0.540 2.388 -0.693) 2.545 9.941 ( 0.540 2.388 0.693) 2.545 10.023 ( -0.245 -0.192 -0.280) 0.419 10.023 ( -0.245 -0.192 0.280) 0.419 10.353 ( 0.219 -8.743 -0.392) 8.755 10.353 ( 0.219 -8.743 0.392) 8.755 10.410 ( -1.052 -10.934 -1.628) 11.105 10.410 ( -1.052 -10.934 1.628) 11.105 10.930 ( 1.241 0.888 -0.588) 1.635 10.930 ( 1.241 0.888 0.588) 1.635 10.968 ( 3.224 -1.030 -0.476) 3.418 10.968 ( 3.224 -1.030 0.476) 3.418 11.092 ( -0.658 -1.740 -1.011) 2.118 11.092 ( -0.658 -1.740 1.011) 2.118 11.240 ( -3.892 3.508 -0.990) 5.332 11.240 ( -3.892 3.508 0.990) 5.332 13.585 ( 0.563 3.421 -0.433) 3.494 13.585 ( 0.563 3.421 0.433) 3.494 13.630 ( 0.199 2.307 -0.497) 2.369 13.630 ( 0.199 2.307 0.497) 2.369 14.447 ( 0.042 1.851 -0.657) 1.965 14.447 ( 0.042 1.851 0.657) 1.965 14.523 ( -0.167 -1.397 -0.674) 1.560 14.523 ( -0.167 -1.397 0.674) 1.560 14.638 ( -0.460 1.278 -0.510) 1.451 14.638 ( -0.460 1.278 0.510) 1.451 14.701 ( -0.726 1.883 -2.079) 2.898 14.701 ( -0.726 1.883 2.079) 2.898 14.831 ( -0.655 -1.582 -3.643) 4.025 14.831 ( -0.655 -1.582 3.643) 4.025 14.920 ( -1.970 -1.113 -1.322) 2.620 14.920 ( -1.970 -1.113 1.322) 2.620 15.227 ( -1.144 0.998 -1.115) 1.883 15.227 ( -1.144 0.998 1.115) 1.883 15.261 ( 0.612 1.114 -0.335) 1.314 15.261 ( 0.612 1.114 0.335) 1.314 15.298 ( -0.203 2.168 -1.316) 2.544 15.298 ( -0.203 2.168 1.316) 2.544 15.369 ( -0.539 -0.084 -0.474) 0.723 15.369 ( -0.539 -0.084 0.474) 0.723 18.070 ( 0.136 -0.262 -0.139) 0.326 18.070 ( 0.136 -0.262 0.139) 0.326 18.094 ( -0.001 -0.740 -0.211) 0.770 18.094 ( -0.001 -0.740 0.211) 0.770 19.438 ( -0.750 0.773 -0.199) 1.095 19.438 ( -0.750 0.773 0.199) 1.095 19.536 ( -0.511 -2.778 -1.077) 3.023 19.536 ( -0.511 -2.778 1.077) 3.023 22.028 ( -1.025 6.519 -0.656) 6.632 22.028 ( -1.025 6.519 0.656) 6.632 22.154 ( 2.491 -0.545 -1.895) 3.177 22.154 ( 2.491 -0.545 1.895) 3.177 22.484 ( -1.170 -0.675 -2.152) 2.541 22.484 ( -1.170 -0.675 2.152) 2.541 22.646 ( -1.367 -3.195 -3.155) 4.694 22.646 ( -1.367 -3.195 3.155) 4.694 24.550 ( 0.063 0.343 -0.019) 0.349 24.550 ( 0.063 0.343 0.019) 0.349 24.554 ( 0.087 0.197 -0.026) 0.217 24.554 ( 0.087 0.197 0.026) 0.217 28.056 ( 0.795 -0.063 -1.401) 1.612 28.056 ( 0.795 -0.063 1.401) 1.612 28.183 ( 2.683 -0.505 -1.664) 3.197 28.183 ( 2.683 -0.505 1.664) 3.197 28.298 ( 6.073 -1.470 -3.351) 7.090 28.298 ( 6.073 -1.470 3.351) 7.090 29.325 ( -11.451 9.495 -5.922) 16.011 29.325 ( -11.451 9.495 5.922) 16.011 31.463 ( 1.052 1.948 -0.130) 2.218 31.463 ( 1.052 1.948 0.130) 2.218 31.619 ( 0.991 -4.793 -3.476) 6.004 31.619 ( 0.991 -4.793 3.476) 6.004 31.930 ( 1.565 5.960 -0.415) 6.176 31.930 ( 1.565 5.960 0.415) 6.176 32.396 ( -7.173 5.292 -3.732) 9.663 32.396 ( -7.173 5.292 3.732) 9.663 33.317 ( 0.785 -3.695 -1.333) 4.006 33.317 ( 0.785 -3.695 1.333) 4.006 33.637 ( -2.766 -0.869 -1.067) 3.089 33.637 ( -2.766 -0.869 1.067) 3.089 36.565 ( 1.080 0.215 -1.742) 2.061 36.565 ( 1.080 0.215 1.742) 2.061 36.807 ( -1.453 -0.834 -4.695) 4.985 36.807 ( -1.453 -0.834 4.695) 4.985 36.880 ( -3.842 3.886 -1.804) 5.755 36.880 ( -3.842 3.886 1.804) 5.755 37.164 ( -2.173 1.657 -2.635) 3.797 37.164 ( -2.173 1.657 2.635) 3.797 37.391 ( 0.540 2.545 -3.870) 4.663 37.391 ( 0.540 2.545 3.870) 4.663 37.947 ( 10.096 -16.069 -5.426) 19.738 37.947 ( 10.096 -16.069 5.426) 19.738 ======================= Grid point 130 (43/48) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( 6.105 3.875 -4.669) 8.607 1.569 ( 6.105 3.875 4.669) 8.607 1.752 ( -0.831 0.189 -5.132) 5.202 1.752 ( -0.831 0.189 5.132) 5.202 1.951 ( 2.976 -0.293 -8.048) 8.586 1.951 ( 2.976 -0.293 8.048) 8.586 2.084 ( -5.664 -4.192 -6.371) 9.500 2.084 ( -5.664 -4.192 6.371) 9.500 2.186 ( -0.058 1.567 -2.623) 3.056 2.186 ( -0.058 1.567 2.623) 3.056 2.418 ( 4.730 -5.467 -10.655) 12.876 2.418 ( 4.730 -5.467 10.655) 12.876 2.772 ( 2.722 5.452 -3.347) 6.952 2.772 ( 2.722 5.452 3.347) 6.952 2.831 ( -3.067 6.124 -1.468) 7.005 2.831 ( -3.067 6.124 1.468) 7.005 2.957 ( 0.024 2.548 -3.880) 4.642 2.957 ( 0.024 2.548 3.880) 4.642 3.055 ( -3.002 1.783 -5.982) 6.927 3.055 ( -3.002 1.783 5.982) 6.927 3.231 ( 2.086 20.665 -6.350) 21.719 3.231 ( 2.086 20.665 6.350) 21.719 3.465 ( -2.704 19.680 -5.013) 20.488 3.465 ( -2.704 19.680 5.013) 20.488 3.617 ( -0.309 2.937 -3.967) 4.946 3.617 ( -0.309 2.937 3.967) 4.946 3.700 ( 5.248 4.472 -3.760) 7.854 3.700 ( 5.248 4.472 3.760) 7.854 3.965 ( 1.260 3.529 -7.166) 8.087 3.965 ( 1.260 3.529 7.166) 8.087 3.984 ( 0.433 4.204 -4.406) 6.105 3.984 ( 0.433 4.204 4.406) 6.105 4.133 ( 5.670 0.265 -3.293) 6.562 4.133 ( 5.670 0.265 3.293) 6.562 4.256 ( -4.182 2.621 -4.874) 6.937 4.256 ( -4.182 2.621 4.874) 6.937 4.441 ( -5.527 1.183 -5.376) 7.800 4.441 ( -5.527 1.183 5.376) 7.800 4.596 ( -3.219 4.510 -1.162) 5.661 4.596 ( -3.219 4.510 1.162) 5.661 4.616 ( -2.951 -4.880 -2.805) 6.355 4.616 ( -2.951 -4.880 2.805) 6.355 4.722 ( -0.758 4.852 -0.577) 4.945 4.722 ( -0.758 4.852 0.577) 4.945 4.898 ( -0.027 4.889 -2.843) 5.656 4.898 ( -0.027 4.889 2.843) 5.656 5.030 ( -4.529 -0.053 -4.163) 6.151 5.030 ( -4.529 -0.053 4.163) 6.151 5.127 ( -1.687 -0.956 -5.128) 5.482 5.127 ( -1.687 -0.956 5.128) 5.482 5.270 ( -3.405 -2.088 -1.851) 4.402 5.270 ( -3.405 -2.088 1.851) 4.402 5.639 ( -2.252 4.205 -0.884) 4.851 5.639 ( -2.252 4.205 0.884) 4.851 5.810 ( -6.669 -1.660 -0.878) 6.928 5.810 ( -6.669 -1.660 0.878) 6.928 5.994 ( 3.005 0.536 -2.628) 4.027 5.994 ( 3.005 0.536 2.628) 4.027 6.128 ( -0.438 1.946 -4.735) 5.139 6.128 ( -0.438 1.946 4.735) 5.139 6.181 ( -1.222 1.392 -2.334) 2.980 6.181 ( -1.222 1.392 2.334) 2.980 6.328 ( -4.811 -3.721 -3.520) 7.026 6.328 ( -4.811 -3.721 3.520) 7.026 6.695 ( 8.950 3.719 -0.339) 9.698 6.695 ( 8.950 3.719 0.339) 9.698 6.787 ( 7.017 0.915 -1.286) 7.193 6.787 ( 7.017 0.915 1.286) 7.193 6.973 ( 5.445 -1.296 -1.999) 5.944 6.973 ( 5.445 -1.296 1.999) 5.944 7.132 ( 1.024 -6.518 -3.423) 7.433 7.132 ( 1.024 -6.518 3.423) 7.433 8.131 ( 0.037 -1.123 -0.825) 1.394 8.131 ( 0.037 -1.123 0.825) 1.394 8.194 ( -0.009 -2.443 -0.885) 2.598 8.194 ( -0.009 -2.443 0.885) 2.598 8.439 ( 0.885 -7.854 -1.241) 8.001 8.439 ( 0.885 -7.854 1.241) 8.001 8.517 ( -1.209 -10.166 -1.283) 10.317 8.517 ( -1.209 -10.166 1.283) 10.317 9.116 ( 0.569 1.568 -0.890) 1.890 9.116 ( 0.569 1.568 0.890) 1.890 9.175 ( -0.638 -0.477 -0.594) 0.993 9.175 ( -0.638 -0.477 0.594) 0.993 9.322 ( 0.873 -2.186 -1.243) 2.662 9.322 ( 0.873 -2.186 1.243) 2.662 9.398 ( -2.255 -3.014 -1.587) 4.085 9.398 ( -2.255 -3.014 1.587) 4.085 9.949 ( 0.107 3.031 -0.320) 3.049 9.949 ( 0.107 3.031 0.320) 3.049 10.018 ( -0.133 -0.189 -0.308) 0.385 10.018 ( -0.133 -0.189 0.308) 0.385 10.353 ( -0.336 -9.239 -1.034) 9.303 10.353 ( -0.336 -9.239 1.034) 9.303 10.391 ( -0.442 -11.394 -1.970) 11.571 10.391 ( -0.442 -11.394 1.970) 11.571 10.964 ( 1.823 0.677 -0.558) 2.024 10.964 ( 1.823 0.677 0.558) 2.024 11.045 ( 1.543 -0.610 -1.015) 1.945 11.045 ( 1.543 -0.610 1.015) 1.945 11.069 ( 0.334 -1.120 -1.455) 1.866 11.069 ( 0.334 -1.120 1.455) 1.866 11.172 ( -2.110 0.369 -0.907) 2.326 11.172 ( -2.110 0.369 0.907) 2.326 13.601 ( 0.818 3.671 -0.352) 3.777 13.601 ( 0.818 3.671 0.352) 3.777 13.634 ( 0.031 2.610 -0.417) 2.643 13.634 ( 0.031 2.610 0.417) 2.643 14.446 ( -0.141 1.830 -0.419) 1.883 14.446 ( -0.141 1.830 0.419) 1.883 14.519 ( -0.245 -1.501 -0.317) 1.554 14.519 ( -0.245 -1.501 0.317) 1.554 14.636 ( 0.416 0.835 -0.575) 1.096 14.636 ( 0.416 0.835 0.575) 1.096 14.679 ( -1.189 1.649 -1.286) 2.406 14.679 ( -1.189 1.649 1.286) 2.406 14.821 ( -0.122 -1.073 -2.871) 3.068 14.821 ( -0.122 -1.073 2.871) 3.068 14.870 ( -2.290 -1.347 -1.718) 3.164 14.870 ( -2.290 -1.347 1.718) 3.164 15.204 ( -0.699 3.282 -1.153) 3.549 15.204 ( -0.699 3.282 1.153) 3.549 15.268 ( -0.262 2.012 -1.011) 2.267 15.268 ( -0.262 2.012 1.011) 2.267 15.306 ( 1.030 0.625 -0.517) 1.311 15.306 ( 1.030 0.625 0.517) 1.311 15.353 ( -0.842 0.060 -0.109) 0.851 15.353 ( -0.842 0.060 0.109) 0.851 18.074 ( 0.254 -0.835 -0.281) 0.917 18.074 ( 0.254 -0.835 0.281) 0.917 18.092 ( -0.267 -1.004 -0.315) 1.086 18.092 ( -0.267 -1.004 0.315) 1.086 19.421 ( -0.650 0.728 -0.228) 1.002 19.421 ( -0.650 0.728 0.228) 1.002 19.522 ( -0.696 -3.443 -0.828) 3.609 19.522 ( -0.696 -3.443 0.828) 3.609 22.012 ( -0.450 6.975 -0.958) 7.055 22.012 ( -0.450 6.975 0.958) 7.055 22.200 ( 1.524 -2.392 -1.622) 3.268 22.200 ( 1.524 -2.392 1.622) 3.268 22.458 ( -1.072 0.784 -1.542) 2.035 22.458 ( -1.072 0.784 1.542) 2.035 22.617 ( -1.136 -3.873 -1.984) 4.497 22.617 ( -1.136 -3.873 1.984) 4.497 24.551 ( 0.061 0.381 -0.016) 0.386 24.551 ( 0.061 0.381 0.016) 0.386 24.556 ( 0.087 0.215 -0.034) 0.235 24.556 ( 0.087 0.215 0.034) 0.235 28.095 ( 2.210 0.357 -1.420) 2.651 28.095 ( 2.210 0.357 1.420) 2.651 28.240 ( 2.297 -3.224 -1.604) 4.271 28.240 ( 2.297 -3.224 1.604) 4.271 28.459 ( 8.846 2.593 -2.787) 9.630 28.459 ( 8.846 2.593 2.787) 9.630 29.017 ( -15.637 8.174 -5.087) 18.363 29.017 ( -15.637 8.174 5.087) 18.363 31.489 ( 1.163 1.797 -0.157) 2.146 31.489 ( 1.163 1.797 0.157) 2.146 31.638 ( 0.654 -4.312 -2.123) 4.851 31.638 ( 0.654 -4.312 2.123) 4.851 31.982 ( 3.293 6.010 -1.114) 6.943 31.982 ( 3.293 6.010 1.114) 6.943 32.224 ( -7.794 5.888 -3.606) 10.412 32.224 ( -7.794 5.888 3.606) 10.412 33.361 ( 3.228 -3.892 -0.954) 5.145 33.361 ( 3.228 -3.892 0.954) 5.145 33.554 ( -4.604 -2.523 -0.920) 5.330 33.554 ( -4.604 -2.523 0.920) 5.330 36.599 ( 2.017 -0.325 -1.525) 2.549 36.599 ( 2.017 -0.325 1.525) 2.549 36.735 ( -4.124 -1.014 -1.154) 4.400 36.735 ( -4.124 -1.014 1.154) 4.400 36.841 ( -0.421 3.755 -3.576) 5.202 36.841 ( -0.421 3.755 3.576) 5.202 37.094 ( -2.962 -2.840 -2.523) 4.817 37.094 ( -2.962 -2.840 2.523) 4.817 37.445 ( 2.818 11.104 -2.673) 11.764 37.445 ( 2.818 11.104 2.673) 11.764 38.128 ( 5.927 -17.841 -1.657) 18.873 38.128 ( 5.927 -17.841 1.657) 18.873 ======================= Grid point 132 (44/48) ======================= q-point: (-0.50 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( 0.000 0.621 -0.000) 0.621 1.671 ( 0.000 0.621 0.000) 0.621 1.718 ( 0.000 4.271 0.000) 4.271 1.718 ( -0.000 4.271 0.000) 4.271 1.952 ( 0.000 0.745 0.000) 0.745 1.952 ( 0.000 0.745 0.000) 0.745 2.016 ( 0.000 -7.972 -0.000) 7.972 2.016 ( 0.000 -7.972 0.000) 7.972 2.200 ( 0.000 4.643 -0.000) 4.643 2.200 ( 0.000 4.643 0.000) 4.643 2.485 ( 0.000 -9.641 -0.000) 9.641 2.485 ( 0.000 -9.641 0.000) 9.641 2.745 ( 0.000 8.779 0.000) 8.779 2.745 ( 0.000 8.779 0.000) 8.779 2.878 ( -0.000 2.071 -0.000) 2.071 2.878 ( 0.000 2.071 0.000) 2.071 2.880 ( 0.000 5.830 -0.000) 5.830 2.880 ( -0.000 5.830 0.000) 5.830 3.033 ( 0.000 2.952 -0.000) 2.952 3.033 ( 0.000 2.952 0.000) 2.952 3.273 ( 0.000 16.283 0.000) 16.283 3.273 ( 0.000 16.283 0.000) 16.283 3.408 ( 0.000 20.007 -0.000) 20.007 3.408 ( 0.000 20.007 0.000) 20.007 3.655 ( 0.000 2.584 0.000) 2.584 3.655 ( 0.000 2.584 0.000) 2.584 3.839 ( 0.000 -0.950 -0.000) 0.950 3.839 ( 0.000 -0.950 0.000) 0.950 3.925 ( 0.000 8.264 -0.000) 8.264 3.925 ( -0.000 8.264 0.000) 8.264 4.013 ( 0.000 6.212 -0.000) 6.212 4.013 ( 0.000 6.212 0.000) 6.212 4.191 ( -0.000 6.259 -0.000) 6.259 4.191 ( -0.000 6.259 0.000) 6.259 4.196 ( -0.000 4.369 0.000) 4.369 4.196 ( 0.000 4.369 0.000) 4.369 4.378 ( 0.000 -2.188 -0.000) 2.188 4.378 ( 0.000 -2.188 0.000) 2.188 4.459 ( -0.000 0.657 0.000) 0.657 4.459 ( 0.000 0.657 0.000) 0.657 4.629 ( 0.000 4.443 0.000) 4.443 4.629 ( 0.000 4.443 0.000) 4.443 4.827 ( -0.000 0.965 -0.000) 0.965 4.827 ( 0.000 0.965 0.000) 0.965 4.829 ( -0.000 1.046 0.000) 1.046 4.829 ( 0.000 1.046 -0.000) 1.046 4.945 ( 0.000 -0.844 0.000) 0.844 4.945 ( -0.000 -0.844 0.000) 0.844 5.141 ( -0.000 1.773 0.000) 1.773 5.141 ( -0.000 1.773 0.000) 1.773 5.213 ( 0.000 -4.077 -0.000) 4.077 5.213 ( 0.000 -4.077 0.000) 4.077 5.613 ( 0.000 2.771 0.000) 2.771 5.613 ( 0.000 2.771 0.000) 2.771 5.732 ( 0.000 0.244 0.000) 0.244 5.732 ( 0.000 0.244 0.000) 0.244 6.059 ( -0.000 2.092 -0.000) 2.092 6.059 ( 0.000 2.092 0.000) 2.092 6.080 ( 0.000 0.690 -0.000) 0.690 6.080 ( 0.000 0.690 0.000) 0.690 6.209 ( 0.000 -1.007 -0.000) 1.007 6.209 ( 0.000 -1.007 0.000) 1.007 6.242 ( 0.000 -1.926 -0.000) 1.926 6.242 ( 0.000 -1.926 0.000) 1.926 6.802 ( 0.000 3.360 0.000) 3.360 6.802 ( 0.000 3.360 0.000) 3.360 6.861 ( 0.000 0.114 0.000) 0.114 6.861 ( 0.000 0.114 0.000) 0.114 7.055 ( 0.000 -1.771 -0.000) 1.771 7.055 ( -0.000 -1.771 0.000) 1.771 7.122 ( 0.000 -4.324 0.000) 4.324 7.122 ( 0.000 -4.324 0.000) 4.324 8.131 ( 0.000 -0.871 0.000) 0.871 8.131 ( 0.000 -0.871 0.000) 0.871 8.194 ( 0.000 -2.625 0.000) 2.625 8.194 ( 0.000 -2.625 0.000) 2.625 8.452 ( 0.000 -8.046 0.000) 8.046 8.452 ( 0.000 -8.046 0.000) 8.046 8.500 ( 0.000 -10.153 0.000) 10.153 8.500 ( 0.000 -10.153 0.000) 10.153 9.123 ( 0.000 1.285 0.000) 1.285 9.123 ( 0.000 1.285 0.000) 1.285 9.166 ( 0.000 0.580 0.000) 0.580 9.166 ( 0.000 0.580 0.000) 0.580 9.343 ( 0.000 -2.865 -0.000) 2.865 9.343 ( 0.000 -2.865 0.000) 2.865 9.359 ( -0.000 -2.979 -0.000) 2.979 9.359 ( -0.000 -2.979 0.000) 2.979 9.948 ( 0.000 3.368 0.000) 3.368 9.948 ( 0.000 3.368 0.000) 3.368 10.017 ( 0.000 -0.217 0.000) 0.217 10.017 ( 0.000 -0.217 0.000) 0.217 10.347 ( 0.000 -9.255 0.000) 9.255 10.347 ( 0.000 -9.255 0.000) 9.255 10.388 ( 0.000 -11.886 -0.000) 11.886 10.388 ( 0.000 -11.886 0.000) 11.886 10.998 ( -0.000 0.986 0.000) 0.986 10.998 ( 0.000 0.986 0.000) 0.986 11.018 ( 0.000 -0.059 0.000) 0.059 11.018 ( 0.000 -0.059 0.000) 0.059 11.119 ( -0.000 -1.053 0.000) 1.053 11.119 ( -0.000 -1.053 0.000) 1.053 11.136 ( 0.000 -1.711 0.000) 1.711 11.136 ( 0.000 -1.711 0.000) 1.711 13.612 ( 0.000 4.021 0.000) 4.021 13.612 ( 0.000 4.021 0.000) 4.021 13.632 ( 0.000 2.549 0.000) 2.549 13.632 ( 0.000 2.549 0.000) 2.549 14.444 ( 0.000 1.753 0.000) 1.753 14.444 ( 0.000 1.753 0.000) 1.753 14.515 ( 0.000 -1.577 0.000) 1.577 14.515 ( 0.000 -1.577 0.000) 1.577 14.651 ( 0.000 0.998 -0.000) 0.998 14.651 ( 0.000 0.998 0.000) 0.998 14.657 ( -0.000 1.286 -0.000) 1.286 14.657 ( -0.000 1.286 0.000) 1.286 14.827 ( -0.000 -0.614 -0.000) 0.614 14.827 ( -0.000 -0.614 0.000) 0.614 14.837 ( 0.000 -1.694 -0.000) 1.694 14.837 ( 0.000 -1.694 0.000) 1.694 15.197 ( 0.000 4.004 -0.000) 4.004 15.197 ( 0.000 4.004 0.000) 4.004 15.263 ( 0.000 2.149 0.000) 2.149 15.263 ( 0.000 2.149 0.000) 2.149 15.327 ( 0.000 -0.551 0.000) 0.551 15.327 ( 0.000 -0.551 0.000) 0.551 15.336 ( -0.000 0.812 0.000) 0.812 15.336 ( 0.000 0.812 0.000) 0.812 18.082 ( -0.000 -1.169 0.000) 1.169 18.082 ( 0.000 -1.169 0.000) 1.169 18.083 ( -0.000 -0.938 -0.000) 0.938 18.083 ( 0.000 -0.938 -0.000) 0.938 19.414 ( 0.000 0.674 0.000) 0.674 19.414 ( 0.000 0.674 0.000) 0.674 19.513 ( 0.000 -3.640 0.000) 3.640 19.513 ( 0.000 -3.640 0.000) 3.640 22.007 ( 0.000 7.071 0.000) 7.071 22.007 ( 0.000 7.071 0.000) 7.071 22.217 ( 0.000 -3.155 0.000) 3.155 22.217 ( 0.000 -3.155 0.000) 3.155 22.445 ( 0.000 1.509 0.000) 1.509 22.445 ( 0.000 1.509 0.000) 1.509 22.604 ( 0.000 -4.172 0.000) 4.172 22.604 ( 0.000 -4.172 0.000) 4.172 24.552 ( 0.000 0.413 0.000) 0.413 24.552 ( 0.000 0.413 0.000) 0.413 24.557 ( 0.000 0.213 0.000) 0.213 24.557 ( 0.000 0.213 0.000) 0.213 28.124 ( 0.000 0.463 0.000) 0.463 28.124 ( 0.000 0.463 0.000) 0.463 28.267 ( 0.000 -4.070 0.000) 4.070 28.267 ( 0.000 -4.070 0.000) 4.070 28.679 ( -0.000 6.037 0.000) 6.037 28.679 ( 0.000 6.037 0.000) 6.037 28.714 ( -0.000 5.418 0.000) 5.418 28.714 ( 0.000 5.418 0.000) 5.418 31.504 ( 0.000 1.698 0.000) 1.698 31.504 ( 0.000 1.698 0.000) 1.698 31.645 ( 0.000 -4.008 0.000) 4.008 31.645 ( 0.000 -4.008 0.000) 4.008 32.065 ( -0.000 6.880 -0.000) 6.880 32.065 ( -0.000 6.880 0.000) 6.880 32.090 ( 0.000 5.052 -0.000) 5.052 32.090 ( 0.000 5.052 0.000) 5.052 33.440 ( 0.000 -3.246 0.000) 3.246 33.440 ( 0.000 -3.246 -0.000) 3.246 33.460 ( -0.000 -3.904 0.000) 3.904 33.460 ( -0.000 -3.904 0.000) 3.904 36.642 ( 0.000 0.054 0.000) 0.054 36.642 ( 0.000 0.054 0.000) 0.054 36.668 ( 0.000 -1.954 0.000) 1.954 36.668 ( -0.000 -1.954 0.000) 1.954 36.838 ( 0.000 4.433 -0.000) 4.433 36.838 ( 0.000 4.433 0.000) 4.433 37.060 ( 0.000 -3.917 0.000) 3.917 37.060 ( 0.000 -3.917 0.000) 3.917 37.478 ( 0.000 13.097 0.000) 13.097 37.478 ( 0.000 13.097 0.000) 13.097 38.193 ( 0.000 -18.061 0.000) 18.061 38.193 ( 0.000 -18.061 0.000) 18.061 ======================= Grid point 140 (45/48) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( 0.000 -0.000 0.000) 0.000 1.597 ( 0.000 0.000 0.000) 0.000 1.631 ( 0.000 -0.000 -0.000) 0.000 1.631 ( 0.000 0.000 -0.000) 0.000 1.823 ( 0.000 0.000 -0.000) 0.000 1.823 ( 0.000 0.000 0.000) 0.000 2.007 ( 0.000 0.000 0.000) 0.000 2.007 ( 0.000 0.000 0.000) 0.000 2.076 ( 0.000 0.000 0.000) 0.000 2.076 ( 0.000 0.000 0.000) 0.000 2.449 ( 0.000 0.000 0.000) 0.000 2.449 ( 0.000 0.000 0.000) 0.000 2.789 ( 0.000 0.000 0.000) 0.000 2.789 ( 0.000 0.000 0.000) 0.000 2.842 ( 0.000 0.000 -0.000) 0.000 2.842 ( 0.000 0.000 -0.000) 0.000 2.950 ( 0.000 -0.000 -0.000) 0.000 2.950 ( 0.000 0.000 0.000) 0.000 2.986 ( 0.000 -0.000 0.000) 0.000 2.986 ( 0.000 0.000 0.000) 0.000 3.511 ( 0.000 0.000 0.000) 0.000 3.511 ( 0.000 0.000 0.000) 0.000 3.597 ( 0.000 0.000 0.000) 0.000 3.597 ( 0.000 0.000 0.000) 0.000 3.819 ( 0.000 0.000 -0.000) 0.000 3.819 ( 0.000 0.000 0.000) 0.000 3.883 ( 0.000 0.000 0.000) 0.000 3.883 ( 0.000 0.000 0.000) 0.000 3.983 ( 0.000 0.000 0.000) 0.000 3.983 ( 0.000 0.000 0.000) 0.000 4.097 ( 0.000 0.000 0.000) 0.000 4.097 ( 0.000 0.000 0.000) 0.000 4.284 ( 0.000 0.000 0.000) 0.000 4.284 ( 0.000 -0.000 0.000) 0.000 4.319 ( 0.000 0.000 0.000) 0.000 4.319 ( 0.000 0.000 0.000) 0.000 4.397 ( 0.000 0.000 0.000) 0.000 4.397 ( 0.000 0.000 0.000) 0.000 4.650 ( 0.000 -0.000 0.000) 0.000 4.650 ( 0.000 0.000 0.000) 0.000 4.656 ( 0.000 -0.000 -0.000) 0.000 4.656 ( 0.000 0.000 -0.000) 0.000 4.833 ( 0.000 0.000 0.000) 0.000 4.833 ( 0.000 0.000 0.000) 0.000 4.937 ( 0.000 0.000 0.000) 0.000 4.937 ( 0.000 0.000 0.000) 0.000 5.165 ( 0.000 -0.000 -0.000) 0.000 5.165 ( 0.000 0.000 0.000) 0.000 5.235 ( 0.000 0.000 0.000) 0.000 5.235 ( 0.000 0.000 0.000) 0.000 5.359 ( 0.000 0.000 -0.000) 0.000 5.359 ( 0.000 0.000 0.000) 0.000 5.841 ( 0.000 0.000 -0.000) 0.000 5.841 ( 0.000 0.000 0.000) 0.000 5.932 ( 0.000 0.000 0.000) 0.000 5.932 ( 0.000 0.000 0.000) 0.000 6.018 ( 0.000 0.000 0.000) 0.000 6.018 ( 0.000 0.000 0.000) 0.000 6.177 ( 0.000 0.000 0.000) 0.000 6.177 ( 0.000 0.000 0.000) 0.000 6.295 ( 0.000 -0.000 0.000) 0.000 6.295 ( 0.000 0.000 0.000) 0.000 6.312 ( 0.000 -0.000 0.000) 0.000 6.312 ( 0.000 0.000 0.000) 0.000 6.504 ( 0.000 0.000 0.000) 0.000 6.504 ( 0.000 0.000 0.000) 0.000 6.536 ( 0.000 0.000 -0.000) 0.000 6.536 ( 0.000 0.000 0.000) 0.000 6.768 ( 0.000 0.000 0.000) 0.000 6.768 ( 0.000 0.000 0.000) 0.000 6.874 ( 0.000 0.000 0.000) 0.000 6.874 ( 0.000 0.000 0.000) 0.000 8.097 ( 0.000 0.000 -0.000) 0.000 8.097 ( 0.000 0.000 0.000) 0.000 8.165 ( 0.000 0.000 0.000) 0.000 8.165 ( 0.000 0.000 0.000) 0.000 8.342 ( 0.000 0.000 0.000) 0.000 8.342 ( 0.000 0.000 0.000) 0.000 8.411 ( 0.000 0.000 0.000) 0.000 8.411 ( 0.000 0.000 0.000) 0.000 9.106 ( 0.000 0.000 0.000) 0.000 9.106 ( 0.000 0.000 0.000) 0.000 9.166 ( 0.000 0.000 0.000) 0.000 9.166 ( 0.000 0.000 0.000) 0.000 9.292 ( 0.000 0.000 -0.000) 0.000 9.292 ( 0.000 0.000 0.000) 0.000 9.432 ( 0.000 0.000 0.000) 0.000 9.432 ( 0.000 0.000 0.000) 0.000 9.966 ( 0.000 0.000 0.000) 0.000 9.966 ( 0.000 0.000 0.000) 0.000 10.023 ( 0.000 -0.000 0.000) 0.000 10.023 ( 0.000 0.000 0.000) 0.000 10.271 ( 0.000 -0.000 -0.000) 0.000 10.271 ( 0.000 0.000 -0.000) 0.000 10.272 ( 0.000 -0.000 0.000) 0.000 10.272 ( 0.000 0.000 0.000) 0.000 10.921 ( 0.000 0.000 0.000) 0.000 10.921 ( 0.000 0.000 0.000) 0.000 10.928 ( 0.000 0.000 0.000) 0.000 10.928 ( 0.000 0.000 0.000) 0.000 11.075 ( 0.000 -0.000 0.000) 0.000 11.075 ( 0.000 0.000 0.000) 0.000 11.339 ( 0.000 0.000 0.000) 0.000 11.339 ( 0.000 0.000 0.000) 0.000 13.614 ( 0.000 0.000 0.000) 0.000 13.614 ( 0.000 0.000 0.000) 0.000 13.653 ( 0.000 0.000 0.000) 0.000 13.653 ( 0.000 0.000 0.000) 0.000 14.474 ( 0.000 0.000 0.000) 0.000 14.474 ( 0.000 0.000 0.000) 0.000 14.503 ( 0.000 0.000 0.000) 0.000 14.503 ( 0.000 0.000 0.000) 0.000 14.666 ( 0.000 0.000 0.000) 0.000 14.666 ( 0.000 0.000 0.000) 0.000 14.735 ( 0.000 0.000 0.000) 0.000 14.735 ( 0.000 0.000 0.000) 0.000 14.811 ( 0.000 0.000 0.000) 0.000 14.811 ( 0.000 0.000 0.000) 0.000 14.932 ( 0.000 0.000 0.000) 0.000 14.932 ( 0.000 0.000 0.000) 0.000 15.235 ( 0.000 0.000 0.000) 0.000 15.235 ( 0.000 0.000 0.000) 0.000 15.262 ( 0.000 0.000 0.000) 0.000 15.262 ( 0.000 0.000 0.000) 0.000 15.351 ( 0.000 0.000 -0.000) 0.000 15.351 ( 0.000 0.000 0.000) 0.000 15.352 ( 0.000 -0.000 -0.000) 0.000 15.352 ( 0.000 -0.000 0.000) 0.000 18.074 ( 0.000 0.000 0.000) 0.000 18.074 ( 0.000 0.000 0.000) 0.000 18.084 ( 0.000 -0.000 0.000) 0.000 18.084 ( 0.000 0.000 0.000) 0.000 19.459 ( 0.000 0.000 0.000) 0.000 19.459 ( 0.000 0.000 0.000) 0.000 19.513 ( 0.000 0.000 0.000) 0.000 19.513 ( 0.000 0.000 0.000) 0.000 22.118 ( 0.000 -0.000 0.000) 0.000 22.118 ( 0.000 0.000 0.000) 0.000 22.120 ( 0.000 -0.000 0.000) 0.000 22.120 ( 0.000 0.000 0.000) 0.000 22.492 ( 0.000 0.000 -0.000) 0.000 22.492 ( 0.000 0.000 0.000) 0.000 22.623 ( 0.000 0.000 0.000) 0.000 22.623 ( 0.000 0.000 0.000) 0.000 24.552 ( 0.000 0.000 0.000) 0.000 24.552 ( 0.000 0.000 0.000) 0.000 24.555 ( 0.000 0.000 0.000) 0.000 24.555 ( 0.000 0.000 0.000) 0.000 28.053 ( 0.000 0.000 0.000) 0.000 28.053 ( 0.000 0.000 0.000) 0.000 28.157 ( 0.000 0.000 0.000) 0.000 28.157 ( 0.000 0.000 0.000) 0.000 28.190 ( 0.000 0.000 -0.000) 0.000 28.190 ( 0.000 0.000 0.000) 0.000 29.556 ( 0.000 0.000 0.000) 0.000 29.556 ( 0.000 0.000 0.000) 0.000 31.509 ( 0.000 -0.000 -0.000) 0.000 31.509 ( 0.000 0.000 -0.000) 0.000 31.517 ( 0.000 -0.000 0.000) 0.000 31.517 ( 0.000 0.000 0.000) 0.000 31.985 ( 0.000 0.000 0.000) 0.000 31.985 ( 0.000 0.000 0.000) 0.000 32.523 ( 0.000 0.000 0.000) 0.000 32.523 ( 0.000 0.000 0.000) 0.000 33.272 ( 0.000 0.000 0.000) 0.000 33.272 ( 0.000 0.000 0.000) 0.000 33.669 ( 0.000 0.000 0.000) 0.000 33.669 ( 0.000 0.000 0.000) 0.000 36.558 ( 0.000 0.000 -0.000) 0.000 36.558 ( 0.000 0.000 0.000) 0.000 36.808 ( 0.000 0.000 0.000) 0.000 36.808 ( 0.000 0.000 0.000) 0.000 37.023 ( 0.000 -0.000 0.000) 0.000 37.023 ( 0.000 0.000 0.000) 0.000 37.208 ( 0.000 0.000 0.000) 0.000 37.208 ( 0.000 0.000 0.000) 0.000 37.381 ( 0.000 0.000 0.000) 0.000 37.381 ( 0.000 0.000 0.000) 0.000 37.625 ( 0.000 0.000 0.000) 0.000 37.625 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 144 (46/48) ======================= q-point: ( 0.17 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( -1.067 0.000 0.000) 1.067 1.586 ( -1.067 0.000 0.000) 1.067 1.752 ( 8.529 0.000 -0.000) 8.529 1.752 ( 8.529 0.000 0.000) 8.529 1.778 ( 0.335 -0.000 -0.000) 0.335 1.778 ( 0.335 0.000 0.000) 0.335 2.047 ( 2.387 0.000 0.000) 2.387 2.047 ( 2.387 0.000 0.000) 2.387 2.169 ( 3.402 0.000 0.000) 3.402 2.169 ( 3.402 0.000 0.000) 3.402 2.367 ( -4.448 0.000 -0.000) 4.448 2.367 ( -4.448 0.000 0.000) 4.448 2.839 ( -2.007 0.000 -0.000) 2.007 2.839 ( -2.007 0.000 0.000) 2.007 2.864 ( 6.487 0.000 -0.000) 6.487 2.864 ( 6.487 0.000 0.000) 6.487 2.947 ( -0.215 0.000 0.000) 0.215 2.947 ( -0.215 0.000 0.000) 0.215 3.025 ( 3.580 0.000 0.000) 3.580 3.025 ( 3.580 0.000 0.000) 3.580 3.504 ( -0.735 0.000 0.000) 0.735 3.504 ( -0.735 0.000 0.000) 0.735 3.575 ( -1.120 -0.000 0.000) 1.120 3.575 ( -1.120 0.000 0.000) 1.120 3.767 ( -6.759 0.000 0.000) 6.759 3.767 ( -6.759 0.000 0.000) 6.759 3.863 ( -1.308 0.000 0.000) 1.308 3.863 ( -1.308 0.000 0.000) 1.308 3.973 ( 0.945 0.000 0.000) 0.945 3.973 ( 0.945 0.000 0.000) 0.945 4.090 ( -2.778 0.000 0.000) 2.778 4.090 ( -2.778 0.000 0.000) 2.778 4.178 ( -5.900 0.000 0.000) 5.900 4.178 ( -5.900 0.000 0.000) 5.900 4.293 ( 3.086 0.000 0.000) 3.086 4.293 ( 3.086 0.000 0.000) 3.086 4.398 ( 0.734 0.000 0.000) 0.734 4.398 ( 0.734 0.000 0.000) 0.734 4.651 ( -3.617 0.000 -0.000) 3.617 4.651 ( -3.617 0.000 0.000) 3.617 4.656 ( -0.336 -0.000 0.000) 0.336 4.656 ( -0.336 -0.000 0.000) 0.336 4.868 ( 1.447 0.000 0.000) 1.447 4.868 ( 1.447 0.000 0.000) 1.447 4.963 ( 0.893 0.000 0.000) 0.893 4.963 ( 0.893 0.000 0.000) 0.893 5.134 ( -2.823 -0.000 -0.000) 2.823 5.134 ( -2.823 0.000 0.000) 2.823 5.141 ( -6.306 -0.000 0.000) 6.306 5.141 ( -6.306 0.000 0.000) 6.306 5.319 ( -3.024 0.000 -0.000) 3.024 5.319 ( -3.024 0.000 0.000) 3.024 5.793 ( -3.396 -0.000 0.000) 3.396 5.793 ( -3.396 0.000 0.000) 3.396 5.934 ( -7.689 0.000 -0.000) 7.689 5.934 ( -7.689 0.000 0.000) 7.689 5.947 ( 1.302 0.000 -0.000) 1.302 5.947 ( 1.302 0.000 0.000) 1.302 6.163 ( -0.290 0.000 0.000) 0.290 6.163 ( -0.290 0.000 0.000) 0.290 6.265 ( -2.958 0.000 0.000) 2.958 6.265 ( -2.958 0.000 0.000) 2.958 6.343 ( -0.139 0.000 -0.000) 0.139 6.343 ( -0.139 0.000 0.000) 0.139 6.548 ( 5.614 0.000 0.000) 5.614 6.548 ( 5.614 0.000 0.000) 5.614 6.613 ( 8.591 0.000 -0.000) 8.591 6.613 ( 8.591 0.000 0.000) 8.591 6.843 ( 5.215 0.000 -0.000) 5.215 6.843 ( 5.215 0.000 0.000) 5.215 6.964 ( 6.032 0.000 0.000) 6.032 6.964 ( 6.032 0.000 0.000) 6.032 8.103 ( 0.553 0.000 -0.000) 0.553 8.103 ( 0.553 0.000 0.000) 0.553 8.161 ( -0.419 0.000 0.000) 0.419 8.161 ( -0.419 0.000 0.000) 0.419 8.345 ( 0.245 0.000 0.000) 0.245 8.345 ( 0.245 0.000 0.000) 0.245 8.404 ( -0.675 0.000 0.000) 0.675 8.404 ( -0.675 0.000 0.000) 0.675 9.114 ( 0.614 0.000 0.000) 0.614 9.114 ( 0.614 0.000 0.000) 0.614 9.159 ( -0.526 0.000 0.000) 0.526 9.159 ( -0.526 0.000 0.000) 0.526 9.301 ( 0.675 0.000 -0.000) 0.675 9.301 ( 0.675 0.000 0.000) 0.675 9.419 ( -1.196 0.000 0.000) 1.196 9.419 ( -1.196 0.000 0.000) 1.196 9.977 ( 0.863 0.000 0.000) 0.863 9.977 ( 0.863 0.000 0.000) 0.863 10.018 ( -0.380 -0.000 0.000) 0.380 10.018 ( -0.380 0.000 0.000) 0.380 10.261 ( -0.841 -0.000 -0.000) 0.841 10.261 ( -0.841 0.000 0.000) 0.841 10.268 ( -0.384 -0.000 0.000) 0.384 10.268 ( -0.384 0.000 0.000) 0.384 10.938 ( 1.026 0.000 0.000) 1.026 10.938 ( 1.026 0.000 0.000) 1.026 10.960 ( 3.182 0.000 0.000) 3.182 10.960 ( 3.182 0.000 0.000) 3.182 11.071 ( -0.491 0.000 0.000) 0.491 11.071 ( -0.491 0.000 0.000) 0.491 11.279 ( -4.713 0.000 0.000) 4.713 11.279 ( -4.713 0.000 0.000) 4.713 13.621 ( 0.627 0.000 0.000) 0.627 13.621 ( 0.627 0.000 0.000) 0.627 13.658 ( 0.380 0.000 0.000) 0.380 13.658 ( 0.380 0.000 0.000) 0.380 14.478 ( 0.249 0.000 0.000) 0.249 14.478 ( 0.249 0.000 0.000) 0.249 14.499 ( -0.372 0.000 0.000) 0.372 14.499 ( -0.372 0.000 0.000) 0.372 14.653 ( -0.864 0.000 0.000) 0.864 14.653 ( -0.864 0.000 0.000) 0.864 14.725 ( -0.937 0.000 0.000) 0.937 14.725 ( -0.937 0.000 0.000) 0.937 14.809 ( -0.153 0.000 0.000) 0.153 14.809 ( -0.153 0.000 0.000) 0.153 14.908 ( -2.092 0.000 0.000) 2.092 14.908 ( -2.092 0.000 0.000) 2.092 15.245 ( 0.727 0.000 0.000) 0.727 15.245 ( 0.727 0.000 0.000) 0.727 15.258 ( -0.201 -0.000 0.000) 0.201 15.258 ( -0.201 0.000 0.000) 0.201 15.347 ( -0.491 0.000 -0.000) 0.491 15.347 ( -0.491 0.000 0.000) 0.491 15.351 ( -0.100 -0.000 -0.000) 0.100 15.351 ( -0.100 -0.000 0.000) 0.100 18.070 ( -0.343 0.000 0.000) 0.343 18.070 ( -0.343 0.000 0.000) 0.343 18.084 ( -0.047 0.000 0.000) 0.047 18.084 ( -0.047 0.000 0.000) 0.047 19.453 ( -0.471 0.000 0.000) 0.471 19.453 ( -0.471 0.000 0.000) 0.471 19.499 ( -1.211 0.000 0.000) 1.211 19.499 ( -1.211 0.000 0.000) 1.211 22.123 ( 0.267 -0.000 -0.000) 0.267 22.123 ( 0.267 0.000 0.000) 0.267 22.125 ( 0.556 -0.000 0.000) 0.556 22.125 ( 0.556 0.000 -0.000) 0.556 22.489 ( -0.163 0.000 -0.000) 0.163 22.489 ( -0.163 0.000 0.000) 0.163 22.598 ( -2.033 0.000 -0.000) 2.033 22.598 ( -2.033 0.000 0.000) 2.033 24.553 ( 0.083 0.000 0.000) 0.083 24.553 ( 0.083 0.000 0.000) 0.083 24.556 ( 0.090 0.000 0.000) 0.090 24.556 ( 0.090 0.000 0.000) 0.090 28.059 ( 1.420 0.000 0.000) 1.420 28.059 ( 1.420 0.000 0.000) 1.420 28.166 ( 0.784 0.000 -0.000) 0.784 28.166 ( 0.784 0.000 0.000) 0.784 28.293 ( 7.915 0.000 0.000) 7.915 28.293 ( 7.915 0.000 0.000) 7.915 29.424 ( -11.522 0.000 0.000) 11.522 29.424 ( -11.522 0.000 0.000) 11.522 31.518 ( 0.806 0.000 -0.000) 0.806 31.518 ( 0.806 0.000 0.000) 0.806 31.533 ( 1.313 0.000 -0.000) 1.313 31.533 ( 1.313 0.000 0.000) 1.313 32.002 ( 1.559 0.000 0.000) 1.559 32.002 ( 1.559 0.000 0.000) 1.559 32.448 ( -6.335 0.000 0.000) 6.335 32.448 ( -6.335 0.000 0.000) 6.335 33.273 ( 0.608 0.000 0.000) 0.608 33.273 ( 0.608 0.000 0.000) 0.608 33.627 ( -3.669 0.000 0.000) 3.669 33.627 ( -3.669 0.000 0.000) 3.669 36.567 ( 0.848 0.000 -0.000) 0.848 36.567 ( 0.848 0.000 0.000) 0.848 36.797 ( -1.602 0.000 0.000) 1.602 36.797 ( -1.602 0.000 0.000) 1.602 36.939 ( -4.464 0.000 0.000) 4.464 36.939 ( -4.464 0.000 0.000) 4.464 37.139 ( -5.020 0.000 0.000) 5.020 37.139 ( -5.020 0.000 0.000) 5.020 37.512 ( 9.205 -0.000 0.000) 9.205 37.512 ( 9.205 -0.000 0.000) 9.205 37.706 ( 5.664 0.000 0.000) 5.664 37.706 ( 5.664 0.000 0.000) 5.664 ======================= Grid point 148 (47/48) ======================= q-point: ( 0.33 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( 3.473 0.000 -0.000) 3.473 1.600 ( 3.473 0.000 0.000) 3.473 1.835 ( -2.509 -0.000 -0.000) 2.509 1.835 ( -2.509 0.000 -0.000) 2.509 1.845 ( 3.925 -0.000 0.000) 3.925 1.845 ( 3.925 0.000 0.000) 3.925 2.047 ( -2.720 0.000 0.000) 2.720 2.047 ( -2.720 0.000 0.000) 2.720 2.209 ( 2.799 0.000 -0.000) 2.799 2.209 ( 2.799 0.000 0.000) 2.799 2.350 ( 1.152 0.000 0.000) 1.152 2.350 ( 1.152 0.000 0.000) 1.152 2.826 ( 3.046 -0.000 0.000) 3.046 2.826 ( 3.046 0.000 0.000) 3.046 2.881 ( -2.744 0.000 0.000) 2.744 2.881 ( -2.744 0.000 0.000) 2.744 3.012 ( -6.503 -0.000 0.000) 6.503 3.012 ( -6.503 0.000 0.000) 6.503 3.028 ( 2.936 -0.000 -0.000) 2.936 3.028 ( 2.936 0.000 -0.000) 2.936 3.486 ( 0.926 0.000 -0.000) 0.926 3.486 ( 0.926 0.000 0.000) 0.926 3.573 ( 0.341 0.000 -0.000) 0.341 3.573 ( 0.341 0.000 0.000) 0.341 3.681 ( 2.252 0.000 0.000) 2.252 3.681 ( 2.252 0.000 0.000) 2.252 3.815 ( -2.836 0.000 -0.000) 2.836 3.815 ( -2.836 0.000 0.000) 2.836 4.038 ( 2.842 0.000 0.000) 2.842 4.038 ( 2.842 0.000 0.000) 2.842 4.083 ( 3.354 0.000 0.000) 3.354 4.083 ( 3.354 0.000 0.000) 3.354 4.150 ( 3.475 0.000 -0.000) 3.475 4.150 ( 3.475 0.000 0.000) 3.475 4.323 ( -1.430 0.000 -0.000) 1.430 4.323 ( -1.430 0.000 0.000) 1.430 4.432 ( -0.749 0.000 0.000) 0.749 4.432 ( -0.749 0.000 0.000) 0.749 4.514 ( -7.719 -0.000 -0.000) 7.719 4.514 ( -7.719 -0.000 0.000) 7.719 4.629 ( 0.487 0.000 0.000) 0.487 4.629 ( 0.487 0.000 0.000) 0.487 4.857 ( -0.507 -0.000 0.000) 0.507 4.857 ( -0.507 0.000 0.000) 0.507 4.917 ( -4.993 -0.000 0.000) 4.993 4.917 ( -4.993 0.000 0.000) 4.993 5.034 ( -6.535 0.000 -0.000) 6.535 5.034 ( -6.535 0.000 0.000) 6.535 5.084 ( 1.335 0.000 -0.000) 1.335 5.084 ( 1.335 0.000 0.000) 1.335 5.252 ( -3.475 0.000 0.000) 3.475 5.252 ( -3.475 0.000 0.000) 3.475 5.722 ( -2.674 -0.000 0.000) 2.674 5.722 ( -2.674 0.000 0.000) 2.674 5.765 ( -6.156 -0.000 0.000) 6.156 5.765 ( -6.156 0.000 -0.000) 6.156 5.994 ( 3.087 0.000 0.000) 3.087 5.994 ( 3.087 0.000 0.000) 3.087 6.156 ( -1.688 0.000 -0.000) 1.688 6.156 ( -1.688 0.000 0.000) 1.688 6.202 ( -1.690 0.000 0.000) 1.690 6.202 ( -1.690 0.000 0.000) 1.690 6.282 ( -3.536 0.000 -0.000) 3.536 6.282 ( -3.536 0.000 0.000) 3.536 6.738 ( 8.529 0.000 0.000) 8.529 6.738 ( 8.529 0.000 0.000) 8.529 6.797 ( 6.562 0.000 -0.000) 6.562 6.797 ( 6.562 0.000 0.000) 6.562 6.959 ( 5.398 0.000 -0.000) 5.398 6.959 ( 5.398 0.000 0.000) 5.398 7.061 ( 2.337 0.000 -0.000) 2.337 7.061 ( 2.337 0.000 0.000) 2.337 8.117 ( 0.684 0.000 -0.000) 0.684 8.117 ( 0.684 0.000 0.000) 0.684 8.148 ( -0.725 -0.000 0.000) 0.725 8.148 ( -0.725 0.000 0.000) 0.725 8.352 ( 0.441 0.000 -0.000) 0.441 8.352 ( 0.441 0.000 0.000) 0.441 8.385 ( -0.994 0.000 0.000) 0.994 8.385 ( -0.994 0.000 0.000) 0.994 9.128 ( 0.643 0.000 0.000) 0.643 9.128 ( 0.643 0.000 0.000) 0.643 9.147 ( -0.455 -0.000 0.000) 0.455 9.147 ( -0.455 0.000 0.000) 0.455 9.316 ( 0.722 0.000 -0.000) 0.722 9.316 ( 0.722 0.000 0.000) 0.722 9.381 ( -2.102 0.000 -0.000) 2.102 9.381 ( -2.102 0.000 0.000) 2.102 9.994 ( 0.581 0.000 -0.000) 0.581 9.994 ( 0.581 0.000 0.000) 0.581 10.009 ( -0.403 -0.000 -0.000) 0.403 10.009 ( -0.403 0.000 0.000) 0.403 10.243 ( -0.557 0.000 0.000) 0.557 10.243 ( -0.557 0.000 0.000) 0.557 10.256 ( -0.646 0.000 -0.000) 0.646 10.256 ( -0.646 0.000 0.000) 0.646 10.969 ( 1.764 0.000 0.000) 1.764 10.969 ( 1.764 0.000 0.000) 1.764 11.041 ( 3.908 0.000 -0.000) 3.908 11.041 ( 3.908 0.000 0.000) 3.908 11.050 ( -1.500 0.000 0.000) 1.500 11.050 ( -1.500 0.000 0.000) 1.500 11.182 ( -3.649 0.000 0.000) 3.649 11.182 ( -3.649 0.000 0.000) 3.649 13.640 ( 0.994 0.000 0.000) 0.994 13.640 ( 0.994 0.000 0.000) 0.994 13.664 ( 0.112 0.000 0.000) 0.112 13.664 ( 0.112 0.000 0.000) 0.112 14.480 ( -0.010 -0.000 0.000) 0.010 14.480 ( -0.010 0.000 -0.000) 0.010 14.489 ( -0.477 -0.000 0.000) 0.477 14.489 ( -0.477 0.000 0.000) 0.477 14.646 ( 0.354 0.000 0.000) 0.354 14.646 ( 0.354 0.000 0.000) 0.354 14.698 ( -1.445 0.000 -0.000) 1.445 14.698 ( -1.445 0.000 0.000) 1.445 14.807 ( 0.123 0.000 0.000) 0.123 14.807 ( 0.123 0.000 0.000) 0.123 14.856 ( -2.297 0.000 0.000) 2.297 14.856 ( -2.297 0.000 0.000) 2.297 15.257 ( 0.069 0.000 -0.000) 0.069 15.257 ( 0.069 0.000 0.000) 0.069 15.259 ( 0.403 -0.000 -0.000) 0.403 15.259 ( 0.403 -0.000 0.000) 0.403 15.336 ( -0.314 0.000 -0.000) 0.314 15.336 ( -0.314 0.000 0.000) 0.314 15.345 ( -0.374 -0.000 -0.000) 0.374 15.345 ( -0.374 -0.000 0.000) 0.374 18.065 ( 0.008 0.000 0.000) 0.008 18.065 ( 0.008 0.000 0.000) 0.008 18.080 ( -0.346 0.000 0.000) 0.346 18.080 ( -0.346 0.000 0.000) 0.346 19.444 ( -0.269 0.000 0.000) 0.269 19.444 ( -0.269 0.000 0.000) 0.269 19.469 ( -1.363 0.000 0.000) 1.363 19.469 ( -1.363 0.000 0.000) 1.363 22.129 ( 0.291 0.000 -0.000) 0.291 22.129 ( 0.291 0.000 0.000) 0.291 22.135 ( 0.201 -0.000 -0.000) 0.201 22.135 ( 0.201 -0.000 0.000) 0.201 22.490 ( 0.379 0.000 -0.000) 0.379 22.490 ( 0.379 0.000 0.000) 0.379 22.549 ( -2.236 -0.000 -0.000) 2.236 22.549 ( -2.236 0.000 0.000) 2.236 24.556 ( 0.124 0.000 0.000) 0.124 24.556 ( 0.124 0.000 0.000) 0.124 24.558 ( 0.053 0.000 0.000) 0.053 24.558 ( 0.053 0.000 0.000) 0.053 28.116 ( 3.344 0.000 0.000) 3.344 28.116 ( 3.344 0.000 0.000) 3.344 28.183 ( 0.504 -0.000 -0.000) 0.504 28.183 ( 0.504 0.000 0.000) 0.504 28.494 ( 10.559 0.000 0.000) 10.559 28.494 ( 10.559 0.000 0.000) 10.559 29.106 ( -16.559 0.000 0.000) 16.559 29.106 ( -16.559 0.000 0.000) 16.559 31.541 ( 1.165 0.000 -0.000) 1.165 31.541 ( 1.165 0.000 0.000) 1.165 31.559 ( 0.800 -0.000 -0.000) 0.800 31.559 ( 0.800 0.000 0.000) 0.800 32.054 ( 3.280 0.000 -0.000) 3.280 32.054 ( 3.280 0.000 0.000) 3.280 32.289 ( -7.484 0.000 0.000) 7.484 32.289 ( -7.484 0.000 0.000) 7.484 33.314 ( 3.242 0.000 0.000) 3.242 33.314 ( 3.242 0.000 0.000) 3.242 33.524 ( -5.444 0.000 -0.000) 5.444 33.524 ( -5.444 0.000 0.000) 5.444 36.595 ( 1.734 0.000 -0.000) 1.734 36.595 ( 1.734 0.000 0.000) 1.734 36.725 ( -4.231 0.000 0.000) 4.231 36.725 ( -4.231 0.000 0.000) 4.231 36.905 ( 0.818 0.000 0.000) 0.818 36.905 ( 0.818 0.000 0.000) 0.818 37.032 ( -4.570 0.000 0.000) 4.570 37.032 ( -4.570 0.000 0.000) 4.570 37.700 ( 7.360 -0.000 -0.000) 7.360 37.700 ( 7.360 -0.000 0.000) 7.360 37.806 ( 2.782 0.000 -0.000) 2.782 37.806 ( 2.782 0.000 0.000) 2.782 ======================= Grid point 152 (48/48) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( -4.663 -2.208 0.000) 5.159 1.723 ( -4.663 -2.208 0.000) 5.159 1.723 ( 4.663 2.208 0.000) 5.159 1.723 ( 4.663 2.208 0.000) 5.159 1.934 ( -5.447 -0.120 0.000) 5.448 1.934 ( -5.447 -0.120 0.000) 5.448 1.934 ( 5.447 0.120 0.000) 5.448 1.934 ( 5.447 0.120 0.000) 5.448 2.315 ( -1.732 -6.095 0.000) 6.336 2.315 ( -1.732 -6.095 0.000) 6.336 2.315 ( 1.732 6.095 0.000) 6.336 2.315 ( 1.732 6.095 0.000) 6.336 2.856 ( -0.502 -2.776 -0.000) 2.821 2.856 ( -0.502 -2.776 0.000) 2.821 2.856 ( 0.502 2.776 0.000) 2.821 2.856 ( 0.502 2.776 0.000) 2.821 2.981 ( -3.386 -3.158 -0.000) 4.630 2.981 ( -3.386 -3.158 0.000) 4.630 2.981 ( 3.386 3.158 -0.000) 4.630 2.981 ( 3.386 3.158 0.000) 4.630 3.543 ( -0.922 -4.268 0.000) 4.367 3.543 ( -0.922 -4.268 0.000) 4.367 3.543 ( 0.922 4.268 0.000) 4.367 3.543 ( 0.922 4.268 0.000) 4.367 3.767 ( -0.777 -4.844 -0.000) 4.906 3.767 ( -0.777 -4.844 0.000) 4.906 3.767 ( 0.777 4.844 0.000) 4.906 3.767 ( 0.777 4.844 0.000) 4.906 4.101 ( -2.302 -1.727 -0.000) 2.877 4.101 ( -2.302 -1.727 0.000) 2.877 4.101 ( 2.302 1.727 0.000) 2.877 4.101 ( 2.302 1.727 0.000) 2.877 4.274 ( -3.868 -0.738 -0.000) 3.938 4.274 ( -3.868 -0.738 0.000) 3.938 4.274 ( 3.868 0.738 -0.000) 3.938 4.274 ( 3.868 0.738 0.000) 3.938 4.375 ( -0.837 -2.916 0.000) 3.033 4.375 ( -0.837 -2.916 0.000) 3.033 4.375 ( 0.837 2.916 0.000) 3.033 4.375 ( 0.837 2.916 0.000) 3.033 4.758 ( -5.929 -3.771 0.000) 7.026 4.758 ( -5.929 -3.771 0.000) 7.026 4.758 ( 5.929 3.771 0.000) 7.026 4.758 ( 5.929 3.771 0.000) 7.026 4.900 ( -1.795 -4.682 -0.000) 5.014 4.900 ( -1.795 -4.682 0.000) 5.014 4.900 ( 1.795 4.682 0.000) 5.014 4.900 ( 1.795 4.682 0.000) 5.014 5.158 ( -4.468 -0.250 -0.000) 4.475 5.158 ( -4.468 -0.250 0.000) 4.475 5.158 ( 4.468 0.250 0.000) 4.475 5.158 ( 4.468 0.250 0.000) 4.475 5.695 ( -0.044 -3.696 0.000) 3.696 5.695 ( -0.044 -3.696 0.000) 3.696 5.695 ( 0.044 3.696 0.000) 3.696 5.695 ( 0.044 3.696 0.000) 3.696 6.076 ( -4.274 -0.020 -0.000) 4.274 6.076 ( -4.274 -0.020 0.000) 4.274 6.076 ( 4.274 0.020 0.000) 4.274 6.076 ( 4.274 0.020 0.000) 4.274 6.218 ( -1.730 -0.514 -0.000) 1.805 6.218 ( -1.730 -0.514 0.000) 1.805 6.218 ( 1.730 0.514 -0.000) 1.805 6.218 ( 1.730 0.514 0.000) 1.805 6.851 ( -0.871 -1.003 0.000) 1.329 6.851 ( -0.871 -1.003 0.000) 1.329 6.851 ( 0.871 1.003 0.000) 1.329 6.851 ( 0.871 1.003 0.000) 1.329 7.057 ( -1.688 -1.404 0.000) 2.196 7.057 ( -1.688 -1.404 0.000) 2.196 7.057 ( 1.688 1.404 -0.000) 2.196 7.057 ( 1.688 1.404 0.000) 2.196 8.132 ( -0.122 -1.911 0.000) 1.915 8.132 ( -0.122 -1.911 0.000) 1.915 8.132 ( 0.122 1.911 0.000) 1.915 8.132 ( 0.122 1.911 0.000) 1.915 8.365 ( -0.264 -1.011 0.000) 1.045 8.365 ( -0.264 -1.011 0.000) 1.045 8.365 ( 0.264 1.011 -0.000) 1.045 8.365 ( 0.264 1.011 0.000) 1.045 9.139 ( -0.055 -1.228 -0.000) 1.229 9.139 ( -0.055 -1.228 0.000) 1.229 9.139 ( 0.055 1.228 0.000) 1.229 9.139 ( 0.055 1.228 0.000) 1.229 9.339 ( -1.133 -0.501 -0.000) 1.239 9.339 ( -1.133 -0.501 0.000) 1.239 9.339 ( 1.133 0.501 -0.000) 1.239 9.339 ( 1.133 0.501 0.000) 1.239 10.002 ( -0.021 -1.558 0.000) 1.559 10.002 ( -0.021 -1.558 0.000) 1.559 10.002 ( 0.021 1.558 0.000) 1.559 10.002 ( 0.021 1.558 0.000) 1.559 10.243 ( -0.142 -0.668 0.000) 0.683 10.243 ( -0.142 -0.668 0.000) 0.683 10.243 ( 0.142 0.668 0.000) 0.683 10.243 ( 0.142 0.668 0.000) 0.683 11.011 ( -1.808 -0.167 0.000) 1.816 11.011 ( -1.808 -0.167 0.000) 1.816 11.011 ( 1.808 0.167 0.000) 1.816 11.011 ( 1.808 0.167 0.000) 1.816 11.116 ( -2.835 -0.116 0.000) 2.838 11.116 ( -2.835 -0.116 0.000) 2.838 11.116 ( 2.835 0.116 0.000) 2.838 11.116 ( 2.835 0.116 0.000) 2.838 13.659 ( -0.442 -0.241 0.000) 0.503 13.659 ( -0.442 -0.241 0.000) 0.503 13.659 ( 0.442 0.241 0.000) 0.503 13.659 ( 0.442 0.241 0.000) 0.503 14.481 ( -0.009 -1.718 0.000) 1.718 14.481 ( -0.009 -1.718 0.000) 1.718 14.481 ( 0.009 1.718 0.000) 1.718 14.481 ( 0.009 1.718 0.000) 1.718 14.666 ( -1.260 -0.112 0.000) 1.265 14.666 ( -1.260 -0.112 0.000) 1.265 14.666 ( 1.260 0.112 -0.000) 1.265 14.666 ( 1.260 0.112 0.000) 1.265 14.819 ( -1.082 -0.004 0.000) 1.082 14.819 ( -1.082 -0.004 0.000) 1.082 14.819 ( 1.082 0.004 0.000) 1.082 14.819 ( 1.082 0.004 0.000) 1.082 15.260 ( -0.007 -1.994 0.000) 1.994 15.260 ( -0.007 -1.994 0.000) 1.994 15.260 ( 0.007 1.994 0.000) 1.994 15.260 ( 0.007 1.994 0.000) 1.994 15.337 ( -0.067 -0.747 0.000) 0.750 15.337 ( -0.067 -0.747 0.000) 0.750 15.337 ( 0.067 0.747 0.000) 0.750 15.337 ( 0.067 0.747 0.000) 0.750 18.071 ( -0.405 -0.035 0.000) 0.406 18.071 ( -0.405 -0.035 0.000) 0.406 18.071 ( 0.405 0.035 0.000) 0.406 18.071 ( 0.405 0.035 0.000) 0.406 19.447 ( -0.072 -2.460 0.000) 2.461 19.447 ( -0.072 -2.460 0.000) 2.461 19.447 ( 0.072 2.460 0.000) 2.461 19.447 ( 0.072 2.460 0.000) 2.461 22.134 ( -0.003 -4.862 0.000) 4.862 22.134 ( -0.003 -4.862 0.000) 4.862 22.134 ( 0.003 4.862 0.000) 4.862 22.134 ( 0.003 4.862 0.000) 4.862 22.509 ( -0.222 -4.257 0.000) 4.262 22.509 ( -0.222 -4.257 0.000) 4.262 22.509 ( 0.222 4.257 -0.000) 4.262 22.509 ( 0.222 4.257 0.000) 4.262 24.558 ( -0.015 -0.113 0.000) 0.114 24.558 ( -0.015 -0.113 0.000) 0.114 24.558 ( 0.015 0.113 0.000) 0.114 24.558 ( 0.015 0.113 0.000) 0.114 28.174 ( -0.305 -3.885 0.000) 3.897 28.174 ( -0.305 -3.885 0.000) 3.897 28.174 ( 0.305 3.885 0.000) 3.897 28.174 ( 0.305 3.885 0.000) 3.897 28.762 ( -14.315 -0.152 0.000) 14.315 28.762 ( -14.315 -0.152 0.000) 14.315 28.762 ( 14.315 0.152 0.000) 14.315 28.762 ( 14.315 0.152 0.000) 14.315 31.562 ( -0.045 -3.613 0.000) 3.613 31.562 ( -0.045 -3.613 0.000) 3.613 31.562 ( 0.045 3.613 0.000) 3.613 31.562 ( 0.045 3.613 0.000) 3.613 32.147 ( -5.364 -0.066 -0.000) 5.364 32.147 ( -5.364 -0.066 0.000) 5.364 32.147 ( 5.364 0.066 -0.000) 5.364 32.147 ( 5.364 0.066 0.000) 5.364 33.407 ( -4.994 -0.122 0.000) 4.996 33.407 ( -4.994 -0.122 0.000) 4.996 33.407 ( 4.994 0.122 0.000) 4.996 33.407 ( 4.994 0.122 0.000) 4.996 36.645 ( -2.881 -0.101 0.000) 2.883 36.645 ( -2.881 -0.101 0.000) 2.883 36.645 ( 2.881 0.101 0.000) 2.883 36.645 ( 2.881 0.101 0.000) 2.883 36.949 ( -0.763 -5.599 -0.000) 5.651 36.949 ( -0.763 -5.599 0.000) 5.651 36.949 ( 0.763 5.599 0.000) 5.651 36.949 ( 0.763 5.599 0.000) 5.651 37.810 ( -0.178 -17.620 0.000) 17.620 37.810 ( -0.178 -17.620 0.000) 17.620 37.810 ( 0.178 17.620 0.000) 17.620 37.810 ( 0.178 17.620 0.000) 17.620 =================== 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 3/25920 10.0 68.018 88.283 122.034 0.000 0.000 -0.000 3/25920 20.0 16.782 27.286 30.986 0.000 0.000 -0.000 3/25920 30.0 7.384 13.539 13.562 0.000 0.000 -0.000 3/25920 40.0 4.288 8.253 7.731 0.000 0.000 -0.000 3/25920 50.0 2.921 5.743 5.136 0.000 0.000 -0.000 3/25920 60.0 2.194 4.350 3.762 0.000 0.000 -0.000 3/25920 70.0 1.755 3.486 2.941 0.000 0.000 -0.000 3/25920 80.0 1.465 2.907 2.406 0.000 0.000 -0.000 3/25920 90.0 1.259 2.495 2.034 0.000 0.000 -0.000 3/25920 100.0 1.105 2.190 1.762 0.000 0.000 -0.000 3/25920 110.0 0.986 1.954 1.555 0.000 0.000 -0.000 3/25920 120.0 0.892 1.767 1.392 0.000 0.000 -0.000 3/25920 130.0 0.814 1.616 1.262 0.000 0.000 -0.000 3/25920 140.0 0.750 1.490 1.154 0.000 0.000 -0.000 3/25920 150.0 0.696 1.384 1.064 0.000 0.000 -0.000 3/25920 160.0 0.649 1.294 0.988 0.000 0.000 -0.000 3/25920 170.0 0.609 1.216 0.923 0.000 0.000 -0.000 3/25920 180.0 0.575 1.148 0.866 0.000 0.000 -0.000 3/25920 190.0 0.544 1.088 0.816 0.000 0.000 -0.000 3/25920 200.0 0.517 1.035 0.772 0.000 0.000 -0.000 3/25920 210.0 0.493 0.988 0.733 0.000 0.000 -0.000 3/25920 220.0 0.472 0.945 0.698 0.000 0.000 -0.000 3/25920 230.0 0.453 0.907 0.666 0.000 0.000 -0.000 3/25920 240.0 0.436 0.873 0.638 0.000 0.000 -0.000 3/25920 250.0 0.420 0.841 0.612 0.000 0.000 -0.000 3/25920 260.0 0.406 0.813 0.588 0.000 0.000 -0.000 3/25920 270.0 0.393 0.787 0.566 0.000 0.000 -0.000 3/25920 280.0 0.382 0.762 0.546 0.000 0.000 -0.000 3/25920 290.0 0.371 0.740 0.528 0.000 0.000 -0.000 3/25920 300.0 0.361 0.720 0.510 0.000 0.000 -0.000 3/25920 310.0 0.352 0.701 0.495 0.000 0.000 -0.000 3/25920 320.0 0.344 0.683 0.480 0.000 0.000 -0.000 3/25920 330.0 0.336 0.667 0.466 0.000 0.000 -0.000 3/25920 340.0 0.328 0.651 0.453 0.000 0.000 -0.000 3/25920 350.0 0.321 0.637 0.441 0.000 0.000 -0.000 3/25920 360.0 0.315 0.623 0.429 0.000 0.000 -0.000 3/25920 370.0 0.309 0.610 0.418 0.000 0.000 -0.000 3/25920 380.0 0.303 0.598 0.408 0.000 0.000 -0.000 3/25920 390.0 0.297 0.587 0.398 0.000 0.000 -0.000 3/25920 400.0 0.292 0.576 0.389 0.000 0.000 -0.000 3/25920 410.0 0.287 0.565 0.380 0.000 0.000 -0.000 3/25920 420.0 0.282 0.555 0.372 0.000 0.000 -0.000 3/25920 430.0 0.278 0.546 0.364 0.000 0.000 -0.000 3/25920 440.0 0.273 0.537 0.357 0.000 0.000 -0.000 3/25920 450.0 0.269 0.528 0.349 0.000 0.000 -0.000 3/25920 460.0 0.265 0.520 0.342 0.000 0.000 -0.000 3/25920 470.0 0.261 0.512 0.336 0.000 0.000 -0.000 3/25920 480.0 0.257 0.504 0.329 0.000 0.000 -0.000 3/25920 490.0 0.254 0.496 0.323 0.000 0.000 -0.000 3/25920 500.0 0.250 0.489 0.317 0.000 0.000 -0.000 3/25920 510.0 0.247 0.482 0.312 0.000 0.000 -0.000 3/25920 520.0 0.243 0.475 0.306 0.000 0.000 -0.000 3/25920 530.0 0.240 0.469 0.301 0.000 0.000 -0.000 3/25920 540.0 0.237 0.462 0.296 0.000 0.000 -0.000 3/25920 550.0 0.234 0.456 0.291 0.000 0.000 -0.000 3/25920 560.0 0.231 0.450 0.286 0.000 0.000 -0.000 3/25920 570.0 0.228 0.444 0.282 0.000 0.000 -0.000 3/25920 580.0 0.225 0.438 0.277 0.000 0.000 -0.000 3/25920 590.0 0.222 0.433 0.273 0.000 0.000 -0.000 3/25920 600.0 0.219 0.427 0.269 0.000 0.000 -0.000 3/25920 610.0 0.217 0.422 0.265 0.000 0.000 -0.000 3/25920 620.0 0.214 0.417 0.261 0.000 0.000 -0.000 3/25920 630.0 0.212 0.412 0.257 0.000 0.000 -0.000 3/25920 640.0 0.209 0.407 0.254 0.000 0.000 -0.000 3/25920 650.0 0.207 0.402 0.250 0.000 0.000 -0.000 3/25920 660.0 0.204 0.397 0.246 0.000 0.000 -0.000 3/25920 670.0 0.202 0.393 0.243 0.000 0.000 -0.000 3/25920 680.0 0.200 0.388 0.240 0.000 0.000 -0.000 3/25920 690.0 0.198 0.384 0.237 0.000 0.000 -0.000 3/25920 700.0 0.195 0.380 0.234 0.000 0.000 -0.000 3/25920 710.0 0.193 0.376 0.231 0.000 0.000 -0.000 3/25920 720.0 0.191 0.371 0.228 0.000 0.000 -0.000 3/25920 730.0 0.189 0.367 0.225 0.000 0.000 -0.000 3/25920 740.0 0.187 0.363 0.222 0.000 0.000 -0.000 3/25920 750.0 0.185 0.360 0.219 0.000 0.000 -0.000 3/25920 760.0 0.183 0.356 0.216 0.000 0.000 -0.000 3/25920 770.0 0.181 0.352 0.214 0.000 0.000 -0.000 3/25920 780.0 0.179 0.348 0.211 0.000 0.000 -0.000 3/25920 790.0 0.178 0.345 0.209 0.000 0.000 -0.000 3/25920 800.0 0.176 0.341 0.206 0.000 0.000 -0.000 3/25920 810.0 0.174 0.338 0.204 0.000 0.000 -0.000 3/25920 820.0 0.172 0.335 0.202 0.000 0.000 -0.000 3/25920 830.0 0.171 0.331 0.199 0.000 0.000 -0.000 3/25920 840.0 0.169 0.328 0.197 0.000 0.000 -0.000 3/25920 850.0 0.167 0.325 0.195 0.000 0.000 -0.000 3/25920 860.0 0.166 0.322 0.193 0.000 0.000 -0.000 3/25920 870.0 0.164 0.319 0.191 0.000 0.000 -0.000 3/25920 880.0 0.163 0.316 0.189 0.000 0.000 -0.000 3/25920 890.0 0.161 0.313 0.187 0.000 0.000 -0.000 3/25920 900.0 0.160 0.310 0.185 0.000 0.000 -0.000 3/25920 910.0 0.158 0.307 0.183 0.000 0.000 -0.000 3/25920 920.0 0.157 0.304 0.181 0.000 0.000 -0.000 3/25920 930.0 0.155 0.301 0.179 0.000 0.000 -0.000 3/25920 940.0 0.154 0.299 0.177 0.000 0.000 -0.000 3/25920 950.0 0.153 0.296 0.176 0.000 0.000 -0.000 3/25920 960.0 0.151 0.293 0.174 0.000 0.000 -0.000 3/25920 970.0 0.150 0.291 0.172 0.000 0.000 -0.000 3/25920 980.0 0.149 0.288 0.171 0.000 0.000 -0.000 3/25920 990.0 0.147 0.286 0.169 0.000 0.000 -0.000 3/25920 1000.0 0.146 0.283 0.167 0.000 0.000 -0.000 3/25920 Thermal conductivity related properties were written into "kappa-m664.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 12:14:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|