# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/ed630cb9-0c43-4e94-96d2-2211cf24014e/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for Hg3SbAsS3 / P2_1/c (14) / materials id 554950](https://mdr.nims.go.jp/datasets/b9bdc522-28a7-4945-b46c-0b1c31bc6af6) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 11:34:49]-------------------------Compiled with OpenMP support (max 48 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P2_1/c (14)Number of symmetry operations in supercell: 12------------------------------ primitive cell ------------------------------Lattice vectors: a 11.527121522551198 0.000000000000000 0.000000000000000 b 0.000000000000000 4.281016870000000 0.000000000000000 c -10.957687716732314 0.000000000000000 15.731949133119995Atomic positions (fractional): *1 Hg 0.55853999061191 0.27124028055497 0.92730299883328 200.590 *2 Hg 0.79841382388977 0.16125139016806 0.68066119042247 200.590 3 Hg 0.79841382388977 0.33874860983194 0.18066119042247 200.590 *4 Hg 0.29901064676049 0.21878201487102 0.18768263930763 200.590 5 Hg 0.44146000938809 0.77124028055497 0.57269700116672 200.590 6 Hg 0.70098935323951 0.78121798512898 0.81231736069237 200.590 7 Hg 0.20158617611023 0.66125139016806 0.81933880957753 200.590 8 Hg 0.55853999061191 0.22875971944504 0.42730299883328 200.590 9 Hg 0.44146000938809 0.72875971944504 0.07269700116672 200.590 10 Hg 0.20158617611023 0.83874860983194 0.31933880957752 200.590 11 Hg 0.29901064676049 0.28121798512898 0.68768263930763 200.590 12 Hg 0.70098935323951 0.71878201487102 0.31231736069237 200.590 *13 Sb 0.08691764024874 0.31127276494988 0.44756599226003 121.760 14 Sb 0.08691764024874 0.18872723505011 0.94756599226003 121.760 15 Sb 0.91308235975126 0.68872723505012 0.55243400773997 121.760 16 Sb 0.91308235975126 0.81127276494988 0.05243400773997 121.760 *17 As 0.40982112935008 0.66092579633147 0.80875330416616 74.922 18 As 0.40982112935008 0.83907420366853 0.30875330416616 74.922 19 As 0.59017887064992 0.33907420366853 0.19124669583384 74.922 20 As 0.59017887064992 0.16092579633147 0.69124669583384 74.922 *21 S 0.31735648739698 0.37352648880417 0.46217402796285 32.065 *22 S 0.18513128159316 0.58246604860842 0.06937656357596 32.065 23 S 0.68264351260302 0.87352648880417 0.03782597203715 32.065 *24 S 0.99719339532128 0.42621448012202 0.16882307296329 32.065 25 S 0.31735648739698 0.12647351119583 0.96217402796285 32.065 26 S 0.81486871840684 0.41753395139158 0.93062343642404 32.065 27 S 0.00280660467872 0.92621448012202 0.33117692703671 32.065 28 S 0.81486871840684 0.08246604860842 0.43062343642404 32.065 29 S 0.18513128159316 0.91753395139158 0.56937656357596 32.065 30 S 0.99719339532128 0.07378551987798 0.66882307296329 32.065 31 S 0.00280660467872 0.57378551987798 0.83117692703671 32.065 32 S 0.68264351260302 0.62647351119583 0.53782597203715 32.065-------------------------------- unit cell ---------------------------------Lattice vectors: a 11.527121522551198 0.000000000000000 0.000000000000000 b 0.000000000000000 4.281016870000000 0.000000000000000 c -10.957687716732314 0.000000000000000 15.731949133119995Atomic positions (fractional): *1 Hg 0.55853999061191 0.27124028055497 0.92730299883328 200.590 > 1 *2 Hg 0.79841382388977 0.16125139016806 0.68066119042247 200.590 > 2 3 Hg 0.79841382388977 0.33874860983194 0.18066119042247 200.590 > 3 *4 Hg 0.29901064676049 0.21878201487102 0.18768263930763 200.590 > 4 5 Hg 0.44146000938809 0.77124028055497 0.57269700116672 200.590 > 5 6 Hg 0.70098935323951 0.78121798512898 0.81231736069237 200.590 > 6 7 Hg 0.20158617611023 0.66125139016806 0.81933880957753 200.590 > 7 8 Hg 0.55853999061191 0.22875971944504 0.42730299883328 200.590 > 8 9 Hg 0.44146000938809 0.72875971944504 0.07269700116672 200.590 > 9 10 Hg 0.20158617611023 0.83874860983194 0.31933880957752 200.590 > 10 11 Hg 0.29901064676049 0.28121798512898 0.68768263930763 200.590 > 11 12 Hg 0.70098935323951 0.71878201487102 0.31231736069237 200.590 > 12 *13 Sb 0.08691764024874 0.31127276494988 0.44756599226003 121.760 > 13 14 Sb 0.08691764024874 0.18872723505011 0.94756599226003 121.760 > 14 15 Sb 0.91308235975126 0.68872723505012 0.55243400773997 121.760 > 15 16 Sb 0.91308235975126 0.81127276494988 0.05243400773997 121.760 > 16 *17 As 0.40982112935008 0.66092579633147 0.80875330416616 74.922 > 17 18 As 0.40982112935008 0.83907420366853 0.30875330416616 74.922 > 18 19 As 0.59017887064992 0.33907420366853 0.19124669583384 74.922 > 19 20 As 0.59017887064992 0.16092579633147 0.69124669583384 74.922 > 20 *21 S 0.31735648739698 0.37352648880417 0.46217402796285 32.065 > 21 *22 S 0.18513128159316 0.58246604860842 0.06937656357596 32.065 > 22 23 S 0.68264351260302 0.87352648880417 0.03782597203715 32.065 > 23 *24 S 0.99719339532128 0.42621448012202 0.16882307296329 32.065 > 24 25 S 0.31735648739698 0.12647351119583 0.96217402796285 32.065 > 25 26 S 0.81486871840684 0.41753395139158 0.93062343642404 32.065 > 26 27 S 0.00280660467872 0.92621448012202 0.33117692703671 32.065 > 27 28 S 0.81486871840684 0.08246604860842 0.43062343642404 32.065 > 28 29 S 0.18513128159316 0.91753395139158 0.56937656357596 32.065 > 29 30 S 0.99719339532128 0.07378551987798 0.66882307296329 32.065 > 30 31 S 0.00280660467872 0.57378551987798 0.83117692703671 32.065 > 31 32 S 0.68264351260302 0.62647351119583 0.53782597203715 32.065 > 32-------------------------------- super cell --------------------------------Lattice vectors: a 11.527121522551198 0.000000000000000 0.000000000000000 b 0.000000000000000 12.843050610000001 0.000000000000000 c -10.957687716732314 0.000000000000000 15.731949133119995Atomic positions (fractional): *1 Hg 0.55853999061191 0.09041342685166 0.92730299883328 200.590 > 1 2 Hg 0.55853999061191 0.42374676018499 0.92730299883328 200.590 > 1 3 Hg 0.55853999061191 0.75708009351832 0.92730299883328 200.590 > 1 *4 Hg 0.79841382388977 0.05375046338935 0.68066119042247 200.590 > 2 5 Hg 0.79841382388977 0.38708379672269 0.68066119042247 200.590 > 2 6 Hg 0.79841382388977 0.72041713005602 0.68066119042247 200.590 > 2 7 Hg 0.79841382388977 0.11291620327731 0.18066119042247 200.590 > 3 8 Hg 0.79841382388977 0.44624953661065 0.18066119042247 200.590 > 3 9 Hg 0.79841382388977 0.77958286994398 0.18066119042247 200.590 > 3 *10 Hg 0.29901064676049 0.07292733829034 0.18768263930763 200.590 > 4 11 Hg 0.29901064676049 0.40626067162367 0.18768263930763 200.590 > 4 12 Hg 0.29901064676049 0.73959400495701 0.18768263930763 200.590 > 4 13 Hg 0.44146000938809 0.25708009351832 0.57269700116672 200.590 > 5 14 Hg 0.44146000938809 0.59041342685166 0.57269700116672 200.590 > 5 15 Hg 0.44146000938809 0.92374676018499 0.57269700116672 200.590 > 5 16 Hg 0.70098935323951 0.26040599504299 0.81231736069237 200.590 > 6 17 Hg 0.70098935323951 0.59373932837633 0.81231736069237 200.590 > 6 18 Hg 0.70098935323951 0.92707266170966 0.81231736069237 200.590 > 6 19 Hg 0.20158617611023 0.22041713005602 0.81933880957753 200.590 > 7 20 Hg 0.20158617611023 0.55375046338935 0.81933880957753 200.590 > 7 21 Hg 0.20158617611023 0.88708379672269 0.81933880957753 200.590 > 7 22 Hg 0.55853999061191 0.07625323981501 0.42730299883328 200.590 > 8 23 Hg 0.55853999061191 0.40958657314835 0.42730299883328 200.590 > 8 24 Hg 0.55853999061191 0.74291990648168 0.42730299883328 200.590 > 8 25 Hg 0.44146000938809 0.24291990648168 0.07269700116672 200.590 > 9 26 Hg 0.44146000938809 0.57625323981501 0.07269700116672 200.590 > 9 27 Hg 0.44146000938809 0.90958657314835 0.07269700116672 200.590 > 9 28 Hg 0.20158617611023 0.27958286994398 0.31933880957752 200.590 > 10 29 Hg 0.20158617611023 0.61291620327731 0.31933880957752 200.590 > 10 30 Hg 0.20158617611023 0.94624953661065 0.31933880957752 200.590 > 10 31 Hg 0.29901064676049 0.09373932837633 0.68768263930763 200.590 > 11 32 Hg 0.29901064676049 0.42707266170966 0.68768263930763 200.590 > 11 33 Hg 0.29901064676049 0.76040599504299 0.68768263930763 200.590 > 11 34 Hg 0.70098935323951 0.23959400495701 0.31231736069237 200.590 > 12 35 Hg 0.70098935323951 0.57292733829034 0.31231736069237 200.590 > 12 36 Hg 0.70098935323951 0.90626067162367 0.31231736069237 200.590 > 12 *37 Sb 0.08691764024874 0.10375758831663 0.44756599226003 121.760 > 13 38 Sb 0.08691764024874 0.43709092164996 0.44756599226003 121.760 > 13 39 Sb 0.08691764024874 0.77042425498329 0.44756599226003 121.760 > 13 40 Sb 0.08691764024874 0.06290907835004 0.94756599226003 121.760 > 14 41 Sb 0.08691764024874 0.39624241168337 0.94756599226003 121.760 > 14 42 Sb 0.08691764024874 0.72957574501670 0.94756599226003 121.760 > 14 43 Sb 0.91308235975126 0.22957574501670 0.55243400773997 121.760 > 15 44 Sb 0.91308235975126 0.56290907835004 0.55243400773997 121.760 > 15 45 Sb 0.91308235975126 0.89624241168337 0.55243400773997 121.760 > 15 46 Sb 0.91308235975126 0.27042425498329 0.05243400773997 121.760 > 16 47 Sb 0.91308235975126 0.60375758831663 0.05243400773997 121.760 > 16 48 Sb 0.91308235975126 0.93709092164996 0.05243400773997 121.760 > 16 *49 As 0.40982112935008 0.22030859877716 0.80875330416616 74.922 > 17 50 As 0.40982112935008 0.55364193211049 0.80875330416616 74.922 > 17 51 As 0.40982112935008 0.88697526544382 0.80875330416616 74.922 > 17 52 As 0.40982112935008 0.27969140122284 0.30875330416616 74.922 > 18 53 As 0.40982112935008 0.61302473455618 0.30875330416616 74.922 > 18 54 As 0.40982112935008 0.94635806788951 0.30875330416616 74.922 > 18 55 As 0.59017887064992 0.11302473455618 0.19124669583384 74.922 > 19 56 As 0.59017887064992 0.44635806788951 0.19124669583384 74.922 > 19 57 As 0.59017887064992 0.77969140122284 0.19124669583384 74.922 > 19 58 As 0.59017887064992 0.05364193211049 0.69124669583384 74.922 > 20 59 As 0.59017887064992 0.38697526544382 0.69124669583384 74.922 > 20 60 As 0.59017887064992 0.72030859877716 0.69124669583384 74.922 > 20 *61 S 0.31735648739698 0.12450882960139 0.46217402796285 32.065 > 21 62 S 0.31735648739698 0.45784216293472 0.46217402796285 32.065 > 21 63 S 0.31735648739698 0.79117549626806 0.46217402796285 32.065 > 21 *64 S 0.18513128159316 0.19415534953614 0.06937656357596 32.065 > 22 65 S 0.18513128159316 0.52748868286947 0.06937656357596 32.065 > 22 66 S 0.18513128159316 0.86082201620281 0.06937656357596 32.065 > 22 67 S 0.68264351260302 0.29117549626806 0.03782597203715 32.065 > 23 68 S 0.68264351260302 0.62450882960139 0.03782597203715 32.065 > 23 69 S 0.68264351260302 0.95784216293472 0.03782597203715 32.065 > 23 *70 S 0.99719339532128 0.14207149337401 0.16882307296329 32.065 > 24 71 S 0.99719339532128 0.47540482670734 0.16882307296329 32.065 > 24 72 S 0.99719339532128 0.80873816004067 0.16882307296329 32.065 > 24 73 S 0.31735648739698 0.04215783706528 0.96217402796285 32.065 > 25 74 S 0.31735648739698 0.37549117039861 0.96217402796285 32.065 > 25 75 S 0.31735648739698 0.70882450373194 0.96217402796285 32.065 > 25 76 S 0.81486871840684 0.13917798379719 0.93062343642404 32.065 > 26 77 S 0.81486871840684 0.47251131713053 0.93062343642404 32.065 > 26 78 S 0.81486871840684 0.80584465046386 0.93062343642404 32.065 > 26 79 S 0.00280660467872 0.30873816004067 0.33117692703671 32.065 > 27 80 S 0.00280660467872 0.64207149337401 0.33117692703671 32.065 > 27 81 S 0.00280660467872 0.97540482670734 0.33117692703671 32.065 > 27 82 S 0.81486871840684 0.02748868286947 0.43062343642404 32.065 > 28 83 S 0.81486871840684 0.36082201620281 0.43062343642404 32.065 > 28 84 S 0.81486871840684 0.69415534953614 0.43062343642404 32.065 > 28 85 S 0.18513128159316 0.30584465046386 0.56937656357596 32.065 > 29 86 S 0.18513128159316 0.63917798379719 0.56937656357596 32.065 > 29 87 S 0.18513128159316 0.97251131713053 0.56937656357596 32.065 > 29 88 S 0.99719339532128 0.02459517329266 0.66882307296329 32.065 > 30 89 S 0.99719339532128 0.35792850662599 0.66882307296329 32.065 > 30 90 S 0.99719339532128 0.69126183995933 0.66882307296329 32.065 > 30 91 S 0.00280660467872 0.19126183995933 0.83117692703671 32.065 > 31 92 S 0.00280660467872 0.52459517329266 0.83117692703671 32.065 > 31 93 S 0.00280660467872 0.85792850662599 0.83117692703671 32.065 > 31 94 S 0.68264351260302 0.20882450373194 0.53782597203715 32.065 > 32 95 S 0.68264351260302 0.54215783706528 0.53782597203715 32.065 > 32 96 S 0.68264351260302 0.87549117039861 0.53782597203715 32.065 > 32----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 12.7511413 0.0000000 -0.0276502 0.0000000 12.6512671 0.0000000 -0.0276537 0.0000000 13.1678276-------------------------- Born effective charges -------------------------- 1 Hg 2.0057892 0.0319346 0.6339844 0.1426492 2.0893933 -0.1706921 0.3817101 -0.4424143 1.9602009 2 Hg 2.5829905 0.2578126 -0.1772477 0.1556318 1.5056489 -0.0431452 -0.4987122 0.0516842 2.4117592 3 Hg 2.5829905 -0.2578126 -0.1772477 -0.1556318 1.5056489 0.0431452 -0.4987122 -0.0516842 2.4117592 4 Hg 1.0818466 0.0144049 -0.0177070 0.1438349 1.5515184 -0.2601406 0.0830291 -0.6382737 2.1979546 5 Hg 2.0057892 -0.0319346 0.6339844 -0.1426492 2.0893933 0.1706921 0.3817101 0.4424143 1.9602009 6 Hg 1.0818466 0.0144049 -0.0177070 0.1438349 1.5515184 -0.2601406 0.0830291 -0.6382737 2.1979546 7 Hg 2.5829905 -0.2578126 -0.1772477 -0.1556318 1.5056489 0.0431452 -0.4987122 -0.0516842 2.4117592 8 Hg 2.0057892 -0.0319346 0.6339844 -0.1426492 2.0893933 0.1706921 0.3817101 0.4424143 1.9602009 9 Hg 2.0057892 0.0319346 0.6339844 0.1426492 2.0893933 -0.1706921 0.3817101 -0.4424143 1.9602009 10 Hg 2.5829905 0.2578126 -0.1772477 0.1556318 1.5056489 -0.0431452 -0.4987122 0.0516842 2.4117592 11 Hg 1.0818466 -0.0144049 -0.0177070 -0.1438349 1.5515184 0.2601406 0.0830291 0.6382737 2.1979546 12 Hg 1.0818466 -0.0144049 -0.0177070 -0.1438349 1.5515184 0.2601406 0.0830291 0.6382737 2.1979546 13 Sb 4.2587325 0.8214095 -0.7519820 1.3349946 3.8736268 -0.4666423 0.3952284 -0.2024865 3.3373174 14 Sb 4.2587325 -0.8214095 -0.7519820 -1.3349946 3.8736268 0.4666423 0.3952284 0.2024865 3.3373174 15 Sb 4.2587325 0.8214095 -0.7519820 1.3349946 3.8736268 -0.4666423 0.3952284 -0.2024865 3.3373174 16 Sb 4.2587325 -0.8214095 -0.7519820 -1.3349946 3.8736268 0.4666423 0.3952284 0.2024865 3.3373174 17 As -1.1002078 0.1544951 0.0298215 0.2853582 -0.9993305 0.2659658 0.0453150 0.3900116 -0.8189823 18 As -1.1002078 -0.1544951 0.0298215 -0.2853582 -0.9993305 -0.2659658 0.0453150 -0.3900116 -0.8189823 19 As -1.1002078 0.1544951 0.0298215 0.2853582 -0.9993305 0.2659658 0.0453150 0.3900116 -0.8189823 20 As -1.1002078 -0.1544951 0.0298215 -0.2853582 -0.9993305 -0.2659658 0.0453150 -0.3900116 -0.8189823 21 S -3.4835022 -0.4112113 -0.2375309 -0.9138438 -2.3457690 0.2147832 -0.4455926 0.1972280 -2.4722582 22 S -2.8265724 0.6841811 0.3086987 0.4234406 -2.8460534 -0.1870031 -0.2056720 0.0100193 -3.5015288 23 S -3.4835022 0.4112113 -0.2375309 0.9138438 -2.3457690 -0.2147832 -0.4455926 -0.1972280 -2.4722582 24 S -2.5190765 -0.3619078 0.2119629 -0.3476290 -2.8290346 -0.0764370 0.2446941 0.2295926 -3.1144629 25 S -3.4835022 0.4112113 -0.2375309 0.9138438 -2.3457690 -0.2147832 -0.4455926 -0.1972280 -2.4722582 26 S -2.8265724 0.6841811 0.3086987 0.4234406 -2.8460534 -0.1870031 -0.2056720 0.0100193 -3.5015288 27 S -2.5190765 0.3619078 0.2119629 0.3476290 -2.8290346 0.0764370 0.2446941 -0.2295926 -3.1144629 28 S -2.8265724 -0.6841811 0.3086987 -0.4234406 -2.8460534 0.1870031 -0.2056720 -0.0100193 -3.5015288 29 S -2.8265724 -0.6841811 0.3086987 -0.4234406 -2.8460534 0.1870031 -0.2056720 -0.0100193 -3.5015288 30 S -2.5190765 0.3619078 0.2119629 0.3476290 -2.8290346 0.0764370 0.2446941 -0.2295926 -3.1144629 31 S -2.5190765 -0.3619078 0.2119629 -0.3476290 -2.8290346 -0.0764370 0.2446941 0.2295926 -3.1144629 32 S -3.4835022 -0.4112113 -0.2375309 -0.9138438 -2.3457690 0.2147832 -0.4455926 0.1972280 -2.4722582----------------------------------------------------------------------------Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".-------------------------------- Symfc start -------------------------------Symfc version 1.5.4 (https://github.com/symfc/symfc)Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024)Computing [2] order force constants.Permutation basis: 288/288Permutation basis: 14064/14064Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 3552Number of blocks in projector: 3552Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 768Use submatrix version of eigh solver.(1) Block: 500 / 768 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found.(1) 484 eigenvectors found.(1) Block: 768 / 768(1) 252 eigenvectors found.(1) Complementary block size: 32(1) Compute compressed projector.(1) Use standard solver.(1) 16 eigenvectors found.--- Eigsh_solver_block: 2 / 6 ---Block_size: 768Use submatrix version of eigh solver.(1) Block: 500 / 768 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found.(1) 484 eigenvectors found.(1) Block: 768 / 768(1) 252 eigenvectors found.(1) Complementary block size: 32(1) Compute compressed projector.(1) Use standard solver.(1) 16 eigenvectors found.--- Eigsh_solver_block: 3 / 6 ---Block_size: 768Use submatrix version of eigh solver.(1) Block: 500 / 768 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found.(1) 485 eigenvectors found.(1) Block: 768 / 768(1) 259 eigenvectors found.(1) Complementary block size: 24(1) Compute compressed projector.(1) Use standard solver.(1) 9 eigenvectors found.--- Eigsh_solver_block: 4 / 6 ---Block_size: 416Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 416Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 416Use standard eigh solver.Tree of FC basis block matrices:- (3552, 3481), data: False|-- (416, 408), data: True|-- (416, 408), data: True|-- (416, 408), data: True|-- (768, 753), data: False |-- (768, 9), data: (768, 24) @ (24, 9) |-- (268, 259), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True|-- (768, 752), data: False |-- (768, 16), data: (768, 32) @ (32, 16) |-- (268, 252), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True|-- (768, 752), data: False |-- (768, 16), data: (768, 32) @ (32, 16) |-- (268, 252), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True-----Solver_atoms: 1 -- 96 / 96Time (Solver_compr_matrix_reshape): 0.005Solver_block: 100 / 960 - Time: 1.066Solver_block: 200 / 960 - Time: 0.987Solver_block: 300 / 960 - Time: 0.993Solver_block: 400 / 960 - Time: 0.998Solver_block: 500 / 960 - Time: 1.002Solver_block: 600 / 960 - Time: 0.983Solver_block: 700 / 960 - Time: 0.988Solver_block: 800 / 960 - Time: 0.987Solver_block: 900 / 960 - Time: 0.995Solver_block: 960 / 960 - Time: 0.670Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 9.856--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 288/288Permutation basis: 14064/14064Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 3552Number of blocks in projector: 3552Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 768Use submatrix version of eigh solver.(1) Block: 500 / 768 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found.(1) 484 eigenvectors found.(1) Block: 768 / 768(1) 252 eigenvectors found.(1) Complementary block size: 32(1) Compute compressed projector.(1) Use standard solver.(1) 16 eigenvectors found.--- Eigsh_solver_block: 2 / 6 ---Block_size: 768Use submatrix version of eigh solver.(1) Block: 500 / 768 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found.(1) 484 eigenvectors found.(1) Block: 768 / 768(1) 252 eigenvectors found.(1) Complementary block size: 32(1) Compute compressed projector.(1) Use standard solver.(1) 16 eigenvectors found.--- Eigsh_solver_block: 3 / 6 ---Block_size: 768Use submatrix version of eigh solver.(1) Block: 500 / 768 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found.(1) 485 eigenvectors found.(1) Block: 768 / 768(1) 259 eigenvectors found.(1) Complementary block size: 24(1) Compute compressed projector.(1) Use standard solver.(1) 9 eigenvectors found.--- Eigsh_solver_block: 4 / 6 ---Block_size: 416Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 416Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 416Use standard eigh solver.Tree of FC basis block matrices:- (3552, 3481), data: False|-- (416, 408), data: True|-- (416, 408), data: True|-- (416, 408), data: True|-- (768, 753), data: False |-- (768, 9), data: (768, 24) @ (24, 9) |-- (268, 259), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True|-- (768, 752), data: False |-- (768, 16), data: (768, 32) @ (32, 16) |-- (268, 252), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True|-- (768, 752), data: False |-- (768, 16), data: (768, 32) @ (32, 16) |-- (268, 252), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: TrueMax drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-08 11:35:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 11:35:39]-------------------------Compiled with OpenMP support (max 48 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [1 3 1]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P2_1/c (14)------------------------------ primitive cell ------------------------------Lattice vectors: a 11.527121522551198 0.000000000000000 0.000000000000000 b 0.000000000000000 4.281016870000000 0.000000000000000 c -10.957687716732314 0.000000000000000 15.731949133119995Atomic positions (fractional): 1 Hg 0.55853999061191 0.27124028055497 0.92730299883328 200.590 2 Hg 0.79841382388977 0.16125139016806 0.68066119042247 200.590 3 Hg 0.79841382388977 0.33874860983194 0.18066119042247 200.590 4 Hg 0.29901064676049 0.21878201487102 0.18768263930763 200.590 5 Hg 0.44146000938809 0.77124028055497 0.57269700116672 200.590 6 Hg 0.70098935323951 0.78121798512898 0.81231736069237 200.590 7 Hg 0.20158617611023 0.66125139016806 0.81933880957753 200.590 8 Hg 0.55853999061191 0.22875971944504 0.42730299883328 200.590 9 Hg 0.44146000938809 0.72875971944504 0.07269700116672 200.590 10 Hg 0.20158617611023 0.83874860983194 0.31933880957752 200.590 11 Hg 0.29901064676049 0.28121798512898 0.68768263930763 200.590 12 Hg 0.70098935323951 0.71878201487102 0.31231736069237 200.590 13 Sb 0.08691764024874 0.31127276494988 0.44756599226003 121.760 14 Sb 0.08691764024874 0.18872723505011 0.94756599226003 121.760 15 Sb 0.91308235975126 0.68872723505012 0.55243400773997 121.760 16 Sb 0.91308235975126 0.81127276494988 0.05243400773997 121.760 17 As 0.40982112935008 0.66092579633147 0.80875330416616 74.922 18 As 0.40982112935008 0.83907420366853 0.30875330416616 74.922 19 As 0.59017887064992 0.33907420366853 0.19124669583384 74.922 20 As 0.59017887064992 0.16092579633147 0.69124669583384 74.922 21 S 0.31735648739698 0.37352648880417 0.46217402796285 32.065 22 S 0.18513128159316 0.58246604860842 0.06937656357596 32.065 23 S 0.68264351260302 0.87352648880417 0.03782597203715 32.065 24 S 0.99719339532128 0.42621448012202 0.16882307296329 32.065 25 S 0.31735648739698 0.12647351119583 0.96217402796285 32.065 26 S 0.81486871840684 0.41753395139158 0.93062343642404 32.065 27 S 0.00280660467872 0.92621448012202 0.33117692703671 32.065 28 S 0.81486871840684 0.08246604860842 0.43062343642404 32.065 29 S 0.18513128159316 0.91753395139158 0.56937656357596 32.065 30 S 0.99719339532128 0.07378551987798 0.66882307296329 32.065 31 S 0.00280660467872 0.57378551987798 0.83117692703671 32.065 32 S 0.68264351260302 0.62647351119583 0.53782597203715 32.065-------------------------------- supercell ---------------------------------Lattice vectors: a 11.527121522551198 0.000000000000000 0.000000000000000 b 0.000000000000000 12.843050610000001 0.000000000000000 c -10.957687716732314 0.000000000000000 15.731949133119995Atomic positions (fractional): 1 Hg 0.55853999061191 0.09041342685166 0.92730299883328 200.590 > 1 2 Hg 0.55853999061191 0.42374676018499 0.92730299883328 200.590 > 1 3 Hg 0.55853999061191 0.75708009351832 0.92730299883328 200.590 > 1 4 Hg 0.79841382388977 0.05375046338935 0.68066119042247 200.590 > 4 5 Hg 0.79841382388977 0.38708379672269 0.68066119042247 200.590 > 4 6 Hg 0.79841382388977 0.72041713005602 0.68066119042247 200.590 > 4 7 Hg 0.79841382388977 0.11291620327731 0.18066119042247 200.590 > 7 8 Hg 0.79841382388977 0.44624953661065 0.18066119042247 200.590 > 7 9 Hg 0.79841382388977 0.77958286994398 0.18066119042247 200.590 > 7 10 Hg 0.29901064676049 0.07292733829034 0.18768263930763 200.590 > 10 11 Hg 0.29901064676049 0.40626067162367 0.18768263930763 200.590 > 10 12 Hg 0.29901064676049 0.73959400495701 0.18768263930763 200.590 > 10 13 Hg 0.44146000938809 0.25708009351832 0.57269700116672 200.590 > 13 14 Hg 0.44146000938809 0.59041342685166 0.57269700116672 200.590 > 13 15 Hg 0.44146000938809 0.92374676018499 0.57269700116672 200.590 > 13 16 Hg 0.70098935323951 0.26040599504299 0.81231736069237 200.590 > 16 17 Hg 0.70098935323951 0.59373932837633 0.81231736069237 200.590 > 16 18 Hg 0.70098935323951 0.92707266170966 0.81231736069237 200.590 > 16 19 Hg 0.20158617611023 0.22041713005602 0.81933880957753 200.590 > 19 20 Hg 0.20158617611023 0.55375046338935 0.81933880957753 200.590 > 19 21 Hg 0.20158617611023 0.88708379672269 0.81933880957753 200.590 > 19 22 Hg 0.55853999061191 0.07625323981501 0.42730299883328 200.590 > 22 23 Hg 0.55853999061191 0.40958657314835 0.42730299883328 200.590 > 22 24 Hg 0.55853999061191 0.74291990648168 0.42730299883328 200.590 > 22 25 Hg 0.44146000938809 0.24291990648168 0.07269700116672 200.590 > 25 26 Hg 0.44146000938809 0.57625323981501 0.07269700116672 200.590 > 25 27 Hg 0.44146000938809 0.90958657314835 0.07269700116672 200.590 > 25 28 Hg 0.20158617611023 0.27958286994398 0.31933880957752 200.590 > 28 29 Hg 0.20158617611023 0.61291620327731 0.31933880957752 200.590 > 28 30 Hg 0.20158617611023 0.94624953661065 0.31933880957752 200.590 > 28 31 Hg 0.29901064676049 0.09373932837633 0.68768263930763 200.590 > 31 32 Hg 0.29901064676049 0.42707266170966 0.68768263930763 200.590 > 31 33 Hg 0.29901064676049 0.76040599504299 0.68768263930763 200.590 > 31 34 Hg 0.70098935323951 0.23959400495701 0.31231736069237 200.590 > 34 35 Hg 0.70098935323951 0.57292733829034 0.31231736069237 200.590 > 34 36 Hg 0.70098935323951 0.90626067162367 0.31231736069237 200.590 > 34 37 Sb 0.08691764024874 0.10375758831663 0.44756599226003 121.760 > 37 38 Sb 0.08691764024874 0.43709092164996 0.44756599226003 121.760 > 37 39 Sb 0.08691764024874 0.77042425498329 0.44756599226003 121.760 > 37 40 Sb 0.08691764024874 0.06290907835004 0.94756599226003 121.760 > 40 41 Sb 0.08691764024874 0.39624241168337 0.94756599226003 121.760 > 40 42 Sb 0.08691764024874 0.72957574501670 0.94756599226003 121.760 > 40 43 Sb 0.91308235975126 0.22957574501670 0.55243400773997 121.760 > 43 44 Sb 0.91308235975126 0.56290907835004 0.55243400773997 121.760 > 43 45 Sb 0.91308235975126 0.89624241168337 0.55243400773997 121.760 > 43 46 Sb 0.91308235975126 0.27042425498329 0.05243400773997 121.760 > 46 47 Sb 0.91308235975126 0.60375758831663 0.05243400773997 121.760 > 46 48 Sb 0.91308235975126 0.93709092164996 0.05243400773997 121.760 > 46 49 As 0.40982112935008 0.22030859877716 0.80875330416616 74.922 > 49 50 As 0.40982112935008 0.55364193211049 0.80875330416616 74.922 > 49 51 As 0.40982112935008 0.88697526544382 0.80875330416616 74.922 > 49 52 As 0.40982112935008 0.27969140122284 0.30875330416616 74.922 > 52 53 As 0.40982112935008 0.61302473455618 0.30875330416616 74.922 > 52 54 As 0.40982112935008 0.94635806788951 0.30875330416616 74.922 > 52 55 As 0.59017887064992 0.11302473455618 0.19124669583384 74.922 > 55 56 As 0.59017887064992 0.44635806788951 0.19124669583384 74.922 > 55 57 As 0.59017887064992 0.77969140122284 0.19124669583384 74.922 > 55 58 As 0.59017887064992 0.05364193211049 0.69124669583384 74.922 > 58 59 As 0.59017887064992 0.38697526544382 0.69124669583384 74.922 > 58 60 As 0.59017887064992 0.72030859877716 0.69124669583384 74.922 > 58 61 S 0.31735648739698 0.12450882960139 0.46217402796285 32.065 > 61 62 S 0.31735648739698 0.45784216293472 0.46217402796285 32.065 > 61 63 S 0.31735648739698 0.79117549626806 0.46217402796285 32.065 > 61 64 S 0.18513128159316 0.19415534953614 0.06937656357596 32.065 > 64 65 S 0.18513128159316 0.52748868286947 0.06937656357596 32.065 > 64 66 S 0.18513128159316 0.86082201620281 0.06937656357596 32.065 > 64 67 S 0.68264351260302 0.29117549626806 0.03782597203715 32.065 > 67 68 S 0.68264351260302 0.62450882960139 0.03782597203715 32.065 > 67 69 S 0.68264351260302 0.95784216293472 0.03782597203715 32.065 > 67 70 S 0.99719339532128 0.14207149337401 0.16882307296329 32.065 > 70 71 S 0.99719339532128 0.47540482670734 0.16882307296329 32.065 > 70 72 S 0.99719339532128 0.80873816004067 0.16882307296329 32.065 > 70 73 S 0.31735648739698 0.04215783706528 0.96217402796285 32.065 > 73 74 S 0.31735648739698 0.37549117039861 0.96217402796285 32.065 > 73 75 S 0.31735648739698 0.70882450373194 0.96217402796285 32.065 > 73 76 S 0.81486871840684 0.13917798379719 0.93062343642404 32.065 > 76 77 S 0.81486871840684 0.47251131713053 0.93062343642404 32.065 > 76 78 S 0.81486871840684 0.80584465046386 0.93062343642404 32.065 > 76 79 S 0.00280660467872 0.30873816004067 0.33117692703671 32.065 > 79 80 S 0.00280660467872 0.64207149337401 0.33117692703671 32.065 > 79 81 S 0.00280660467872 0.97540482670734 0.33117692703671 32.065 > 79 82 S 0.81486871840684 0.02748868286947 0.43062343642404 32.065 > 82 83 S 0.81486871840684 0.36082201620281 0.43062343642404 32.065 > 82 84 S 0.81486871840684 0.69415534953614 0.43062343642404 32.065 > 82 85 S 0.18513128159316 0.30584465046386 0.56937656357596 32.065 > 85 86 S 0.18513128159316 0.63917798379719 0.56937656357596 32.065 > 85 87 S 0.18513128159316 0.97251131713053 0.56937656357596 32.065 > 85 88 S 0.99719339532128 0.02459517329266 0.66882307296329 32.065 > 88 89 S 0.99719339532128 0.35792850662599 0.66882307296329 32.065 > 88 90 S 0.99719339532128 0.69126183995933 0.66882307296329 32.065 > 88 91 S 0.00280660467872 0.19126183995933 0.83117692703671 32.065 > 91 92 S 0.00280660467872 0.52459517329266 0.83117692703671 32.065 > 91 93 S 0.00280660467872 0.85792850662599 0.83117692703671 32.065 > 91 94 S 0.68264351260302 0.20882450373194 0.53782597203715 32.065 > 94 95 S 0.68264351260302 0.54215783706528 0.53782597203715 32.065 > 94 96 S 0.68264351260302 0.87549117039861 0.53782597203715 32.065 > 94----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 12.7511413 0.0000000 -0.0276502 0.0000000 12.6512671 0.0000000 -0.0276537 0.0000000 13.1678276-------------------------- Born effective charges -------------------------- 1 Hg 2.0057892 0.0319346 0.6339844 0.1426492 2.0893933 -0.1706921 0.3817101 -0.4424143 1.9602009 2 Hg 2.5829905 0.2578126 -0.1772477 0.1556318 1.5056489 -0.0431452 -0.4987122 0.0516842 2.4117592 3 Hg 2.5829905 -0.2578126 -0.1772477 -0.1556318 1.5056489 0.0431452 -0.4987122 -0.0516842 2.4117592 4 Hg 1.0818466 0.0144049 -0.0177070 0.1438349 1.5515184 -0.2601406 0.0830291 -0.6382737 2.1979546 5 Hg 2.0057892 -0.0319346 0.6339844 -0.1426492 2.0893933 0.1706921 0.3817101 0.4424143 1.9602009 6 Hg 1.0818466 0.0144049 -0.0177070 0.1438349 1.5515184 -0.2601406 0.0830291 -0.6382737 2.1979546 7 Hg 2.5829905 -0.2578126 -0.1772477 -0.1556318 1.5056489 0.0431452 -0.4987122 -0.0516842 2.4117592 8 Hg 2.0057892 -0.0319346 0.6339844 -0.1426492 2.0893933 0.1706921 0.3817101 0.4424143 1.9602009 9 Hg 2.0057892 0.0319346 0.6339844 0.1426492 2.0893933 -0.1706921 0.3817101 -0.4424143 1.9602009 10 Hg 2.5829905 0.2578126 -0.1772477 0.1556318 1.5056489 -0.0431452 -0.4987122 0.0516842 2.4117592 11 Hg 1.0818466 -0.0144049 -0.0177070 -0.1438349 1.5515184 0.2601406 0.0830291 0.6382737 2.1979546 12 Hg 1.0818466 -0.0144049 -0.0177070 -0.1438349 1.5515184 0.2601406 0.0830291 0.6382737 2.1979546 13 Sb 4.2587325 0.8214095 -0.7519820 1.3349946 3.8736268 -0.4666423 0.3952284 -0.2024865 3.3373174 14 Sb 4.2587325 -0.8214095 -0.7519820 -1.3349946 3.8736268 0.4666423 0.3952284 0.2024865 3.3373174 15 Sb 4.2587325 0.8214095 -0.7519820 1.3349946 3.8736268 -0.4666423 0.3952284 -0.2024865 3.3373174 16 Sb 4.2587325 -0.8214095 -0.7519820 -1.3349946 3.8736268 0.4666423 0.3952284 0.2024865 3.3373174 17 As -1.1002078 0.1544951 0.0298215 0.2853582 -0.9993305 0.2659658 0.0453150 0.3900116 -0.8189823 18 As -1.1002078 -0.1544951 0.0298215 -0.2853582 -0.9993305 -0.2659658 0.0453150 -0.3900116 -0.8189823 19 As -1.1002078 0.1544951 0.0298215 0.2853582 -0.9993305 0.2659658 0.0453150 0.3900116 -0.8189823 20 As -1.1002078 -0.1544951 0.0298215 -0.2853582 -0.9993305 -0.2659658 0.0453150 -0.3900116 -0.8189823 21 S -3.4835022 -0.4112113 -0.2375309 -0.9138438 -2.3457690 0.2147832 -0.4455926 0.1972280 -2.4722582 22 S -2.8265724 0.6841811 0.3086987 0.4234406 -2.8460534 -0.1870031 -0.2056720 0.0100193 -3.5015288 23 S -3.4835022 0.4112113 -0.2375309 0.9138438 -2.3457690 -0.2147832 -0.4455926 -0.1972280 -2.4722582 24 S -2.5190765 -0.3619078 0.2119629 -0.3476290 -2.8290346 -0.0764370 0.2446941 0.2295926 -3.1144629 25 S -3.4835022 0.4112113 -0.2375309 0.9138438 -2.3457690 -0.2147832 -0.4455926 -0.1972280 -2.4722582 26 S -2.8265724 0.6841811 0.3086987 0.4234406 -2.8460534 -0.1870031 -0.2056720 0.0100193 -3.5015288 27 S -2.5190765 0.3619078 0.2119629 0.3476290 -2.8290346 0.0764370 0.2446941 -0.2295926 -3.1144629 28 S -2.8265724 -0.6841811 0.3086987 -0.4234406 -2.8460534 0.1870031 -0.2056720 -0.0100193 -3.5015288 29 S -2.8265724 -0.6841811 0.3086987 -0.4234406 -2.8460534 0.1870031 -0.2056720 -0.0100193 -3.5015288 30 S -2.5190765 0.3619078 0.2119629 0.3476290 -2.8290346 0.0764370 0.2446941 -0.2295926 -3.1144629 31 S -2.5190765 -0.3619078 0.2119629 -0.3476290 -2.8290346 -0.0764370 0.2446941 0.2295926 -3.1144629 32 S -3.4835022 -0.4112113 -0.2375309 -0.9138438 -2.3457690 0.2147832 -0.4455926 0.1972280 -2.4722582----------------------------------------------------------------------------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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082]Computing fc3[ 4, 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082]Computing fc3[ 10, 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082]Computing fc3[ 37, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082]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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082]Computing fc3[ 61, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082]Computing fc3[ 64, 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082]Computing fc3[ 70, 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx)fc3 was written into "fc3.hdf5".Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency 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 11:36:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 11:36:12]-------------------------Compiled with OpenMP support (max 48 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [1 3 1]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P2_1/c (14)------------------------------ primitive cell ------------------------------Lattice vectors: a 11.527121522551198 0.000000000000000 0.000000000000000 b 0.000000000000000 4.281016870000000 0.000000000000000 c -10.957687716732314 0.000000000000000 15.731949133119995Atomic positions (fractional): 1 Hg 0.55853999061191 0.27124028055497 0.92730299883328 200.590 2 Hg 0.79841382388977 0.16125139016806 0.68066119042247 200.590 3 Hg 0.79841382388977 0.33874860983194 0.18066119042247 200.590 4 Hg 0.29901064676049 0.21878201487102 0.18768263930763 200.590 5 Hg 0.44146000938809 0.77124028055497 0.57269700116672 200.590 6 Hg 0.70098935323951 0.78121798512898 0.81231736069237 200.590 7 Hg 0.20158617611023 0.66125139016806 0.81933880957753 200.590 8 Hg 0.55853999061191 0.22875971944504 0.42730299883328 200.590 9 Hg 0.44146000938809 0.72875971944504 0.07269700116672 200.590 10 Hg 0.20158617611023 0.83874860983194 0.31933880957752 200.590 11 Hg 0.29901064676049 0.28121798512898 0.68768263930763 200.590 12 Hg 0.70098935323951 0.71878201487102 0.31231736069237 200.590 13 Sb 0.08691764024874 0.31127276494988 0.44756599226003 121.760 14 Sb 0.08691764024874 0.18872723505011 0.94756599226003 121.760 15 Sb 0.91308235975126 0.68872723505012 0.55243400773997 121.760 16 Sb 0.91308235975126 0.81127276494988 0.05243400773997 121.760 17 As 0.40982112935008 0.66092579633147 0.80875330416616 74.922 18 As 0.40982112935008 0.83907420366853 0.30875330416616 74.922 19 As 0.59017887064992 0.33907420366853 0.19124669583384 74.922 20 As 0.59017887064992 0.16092579633147 0.69124669583384 74.922 21 S 0.31735648739698 0.37352648880417 0.46217402796285 32.065 22 S 0.18513128159316 0.58246604860842 0.06937656357596 32.065 23 S 0.68264351260302 0.87352648880417 0.03782597203715 32.065 24 S 0.99719339532128 0.42621448012202 0.16882307296329 32.065 25 S 0.31735648739698 0.12647351119583 0.96217402796285 32.065 26 S 0.81486871840684 0.41753395139158 0.93062343642404 32.065 27 S 0.00280660467872 0.92621448012202 0.33117692703671 32.065 28 S 0.81486871840684 0.08246604860842 0.43062343642404 32.065 29 S 0.18513128159316 0.91753395139158 0.56937656357596 32.065 30 S 0.99719339532128 0.07378551987798 0.66882307296329 32.065 31 S 0.00280660467872 0.57378551987798 0.83117692703671 32.065 32 S 0.68264351260302 0.62647351119583 0.53782597203715 32.065-------------------------------- supercell ---------------------------------Lattice vectors: a 11.527121522551198 0.000000000000000 0.000000000000000 b 0.000000000000000 12.843050610000001 0.000000000000000 c -10.957687716732314 0.000000000000000 15.731949133119995Atomic positions (fractional): 1 Hg 0.55853999061191 0.09041342685166 0.92730299883328 200.590 > 1 2 Hg 0.55853999061191 0.42374676018499 0.92730299883328 200.590 > 1 3 Hg 0.55853999061191 0.75708009351832 0.92730299883328 200.590 > 1 4 Hg 0.79841382388977 0.05375046338935 0.68066119042247 200.590 > 4 5 Hg 0.79841382388977 0.38708379672269 0.68066119042247 200.590 > 4 6 Hg 0.79841382388977 0.72041713005602 0.68066119042247 200.590 > 4 7 Hg 0.79841382388977 0.11291620327731 0.18066119042247 200.590 > 7 8 Hg 0.79841382388977 0.44624953661065 0.18066119042247 200.590 > 7 9 Hg 0.79841382388977 0.77958286994398 0.18066119042247 200.590 > 7 10 Hg 0.29901064676049 0.07292733829034 0.18768263930763 200.590 > 10 11 Hg 0.29901064676049 0.40626067162367 0.18768263930763 200.590 > 10 12 Hg 0.29901064676049 0.73959400495701 0.18768263930763 200.590 > 10 13 Hg 0.44146000938809 0.25708009351832 0.57269700116672 200.590 > 13 14 Hg 0.44146000938809 0.59041342685166 0.57269700116672 200.590 > 13 15 Hg 0.44146000938809 0.92374676018499 0.57269700116672 200.590 > 13 16 Hg 0.70098935323951 0.26040599504299 0.81231736069237 200.590 > 16 17 Hg 0.70098935323951 0.59373932837633 0.81231736069237 200.590 > 16 18 Hg 0.70098935323951 0.92707266170966 0.81231736069237 200.590 > 16 19 Hg 0.20158617611023 0.22041713005602 0.81933880957753 200.590 > 19 20 Hg 0.20158617611023 0.55375046338935 0.81933880957753 200.590 > 19 21 Hg 0.20158617611023 0.88708379672269 0.81933880957753 200.590 > 19 22 Hg 0.55853999061191 0.07625323981501 0.42730299883328 200.590 > 22 23 Hg 0.55853999061191 0.40958657314835 0.42730299883328 200.590 > 22 24 Hg 0.55853999061191 0.74291990648168 0.42730299883328 200.590 > 22 25 Hg 0.44146000938809 0.24291990648168 0.07269700116672 200.590 > 25 26 Hg 0.44146000938809 0.57625323981501 0.07269700116672 200.590 > 25 27 Hg 0.44146000938809 0.90958657314835 0.07269700116672 200.590 > 25 28 Hg 0.20158617611023 0.27958286994398 0.31933880957752 200.590 > 28 29 Hg 0.20158617611023 0.61291620327731 0.31933880957752 200.590 > 28 30 Hg 0.20158617611023 0.94624953661065 0.31933880957752 200.590 > 28 31 Hg 0.29901064676049 0.09373932837633 0.68768263930763 200.590 > 31 32 Hg 0.29901064676049 0.42707266170966 0.68768263930763 200.590 > 31 33 Hg 0.29901064676049 0.76040599504299 0.68768263930763 200.590 > 31 34 Hg 0.70098935323951 0.23959400495701 0.31231736069237 200.590 > 34 35 Hg 0.70098935323951 0.57292733829034 0.31231736069237 200.590 > 34 36 Hg 0.70098935323951 0.90626067162367 0.31231736069237 200.590 > 34 37 Sb 0.08691764024874 0.10375758831663 0.44756599226003 121.760 > 37 38 Sb 0.08691764024874 0.43709092164996 0.44756599226003 121.760 > 37 39 Sb 0.08691764024874 0.77042425498329 0.44756599226003 121.760 > 37 40 Sb 0.08691764024874 0.06290907835004 0.94756599226003 121.760 > 40 41 Sb 0.08691764024874 0.39624241168337 0.94756599226003 121.760 > 40 42 Sb 0.08691764024874 0.72957574501670 0.94756599226003 121.760 > 40 43 Sb 0.91308235975126 0.22957574501670 0.55243400773997 121.760 > 43 44 Sb 0.91308235975126 0.56290907835004 0.55243400773997 121.760 > 43 45 Sb 0.91308235975126 0.89624241168337 0.55243400773997 121.760 > 43 46 Sb 0.91308235975126 0.27042425498329 0.05243400773997 121.760 > 46 47 Sb 0.91308235975126 0.60375758831663 0.05243400773997 121.760 > 46 48 Sb 0.91308235975126 0.93709092164996 0.05243400773997 121.760 > 46 49 As 0.40982112935008 0.22030859877716 0.80875330416616 74.922 > 49 50 As 0.40982112935008 0.55364193211049 0.80875330416616 74.922 > 49 51 As 0.40982112935008 0.88697526544382 0.80875330416616 74.922 > 49 52 As 0.40982112935008 0.27969140122284 0.30875330416616 74.922 > 52 53 As 0.40982112935008 0.61302473455618 0.30875330416616 74.922 > 52 54 As 0.40982112935008 0.94635806788951 0.30875330416616 74.922 > 52 55 As 0.59017887064992 0.11302473455618 0.19124669583384 74.922 > 55 56 As 0.59017887064992 0.44635806788951 0.19124669583384 74.922 > 55 57 As 0.59017887064992 0.77969140122284 0.19124669583384 74.922 > 55 58 As 0.59017887064992 0.05364193211049 0.69124669583384 74.922 > 58 59 As 0.59017887064992 0.38697526544382 0.69124669583384 74.922 > 58 60 As 0.59017887064992 0.72030859877716 0.69124669583384 74.922 > 58 61 S 0.31735648739698 0.12450882960139 0.46217402796285 32.065 > 61 62 S 0.31735648739698 0.45784216293472 0.46217402796285 32.065 > 61 63 S 0.31735648739698 0.79117549626806 0.46217402796285 32.065 > 61 64 S 0.18513128159316 0.19415534953614 0.06937656357596 32.065 > 64 65 S 0.18513128159316 0.52748868286947 0.06937656357596 32.065 > 64 66 S 0.18513128159316 0.86082201620281 0.06937656357596 32.065 > 64 67 S 0.68264351260302 0.29117549626806 0.03782597203715 32.065 > 67 68 S 0.68264351260302 0.62450882960139 0.03782597203715 32.065 > 67 69 S 0.68264351260302 0.95784216293472 0.03782597203715 32.065 > 67 70 S 0.99719339532128 0.14207149337401 0.16882307296329 32.065 > 70 71 S 0.99719339532128 0.47540482670734 0.16882307296329 32.065 > 70 72 S 0.99719339532128 0.80873816004067 0.16882307296329 32.065 > 70 73 S 0.31735648739698 0.04215783706528 0.96217402796285 32.065 > 73 74 S 0.31735648739698 0.37549117039861 0.96217402796285 32.065 > 73 75 S 0.31735648739698 0.70882450373194 0.96217402796285 32.065 > 73 76 S 0.81486871840684 0.13917798379719 0.93062343642404 32.065 > 76 77 S 0.81486871840684 0.47251131713053 0.93062343642404 32.065 > 76 78 S 0.81486871840684 0.80584465046386 0.93062343642404 32.065 > 76 79 S 0.00280660467872 0.30873816004067 0.33117692703671 32.065 > 79 80 S 0.00280660467872 0.64207149337401 0.33117692703671 32.065 > 79 81 S 0.00280660467872 0.97540482670734 0.33117692703671 32.065 > 79 82 S 0.81486871840684 0.02748868286947 0.43062343642404 32.065 > 82 83 S 0.81486871840684 0.36082201620281 0.43062343642404 32.065 > 82 84 S 0.81486871840684 0.69415534953614 0.43062343642404 32.065 > 82 85 S 0.18513128159316 0.30584465046386 0.56937656357596 32.065 > 85 86 S 0.18513128159316 0.63917798379719 0.56937656357596 32.065 > 85 87 S 0.18513128159316 0.97251131713053 0.56937656357596 32.065 > 85 88 S 0.99719339532128 0.02459517329266 0.66882307296329 32.065 > 88 89 S 0.99719339532128 0.35792850662599 0.66882307296329 32.065 > 88 90 S 0.99719339532128 0.69126183995933 0.66882307296329 32.065 > 88 91 S 0.00280660467872 0.19126183995933 0.83117692703671 32.065 > 91 92 S 0.00280660467872 0.52459517329266 0.83117692703671 32.065 > 91 93 S 0.00280660467872 0.85792850662599 0.83117692703671 32.065 > 91 94 S 0.68264351260302 0.20882450373194 0.53782597203715 32.065 > 94 95 S 0.68264351260302 0.54215783706528 0.53782597203715 32.065 > 94 96 S 0.68264351260302 0.87549117039861 0.53782597203715 32.065 > 94----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 12.7511413 0.0000000 -0.0276502 0.0000000 12.6512671 0.0000000 -0.0276537 0.0000000 13.1678276-------------------------- Born effective charges -------------------------- 1 Hg 2.0057892 0.0319346 0.6339844 0.1426492 2.0893933 -0.1706921 0.3817101 -0.4424143 1.9602009 2 Hg 2.5829905 0.2578126 -0.1772477 0.1556318 1.5056489 -0.0431452 -0.4987122 0.0516842 2.4117592 3 Hg 2.5829905 -0.2578126 -0.1772477 -0.1556318 1.5056489 0.0431452 -0.4987122 -0.0516842 2.4117592 4 Hg 1.0818466 0.0144049 -0.0177070 0.1438349 1.5515184 -0.2601406 0.0830291 -0.6382737 2.1979546 5 Hg 2.0057892 -0.0319346 0.6339844 -0.1426492 2.0893933 0.1706921 0.3817101 0.4424143 1.9602009 6 Hg 1.0818466 0.0144049 -0.0177070 0.1438349 1.5515184 -0.2601406 0.0830291 -0.6382737 2.1979546 7 Hg 2.5829905 -0.2578126 -0.1772477 -0.1556318 1.5056489 0.0431452 -0.4987122 -0.0516842 2.4117592 8 Hg 2.0057892 -0.0319346 0.6339844 -0.1426492 2.0893933 0.1706921 0.3817101 0.4424143 1.9602009 9 Hg 2.0057892 0.0319346 0.6339844 0.1426492 2.0893933 -0.1706921 0.3817101 -0.4424143 1.9602009 10 Hg 2.5829905 0.2578126 -0.1772477 0.1556318 1.5056489 -0.0431452 -0.4987122 0.0516842 2.4117592 11 Hg 1.0818466 -0.0144049 -0.0177070 -0.1438349 1.5515184 0.2601406 0.0830291 0.6382737 2.1979546 12 Hg 1.0818466 -0.0144049 -0.0177070 -0.1438349 1.5515184 0.2601406 0.0830291 0.6382737 2.1979546 13 Sb 4.2587325 0.8214095 -0.7519820 1.3349946 3.8736268 -0.4666423 0.3952284 -0.2024865 3.3373174 14 Sb 4.2587325 -0.8214095 -0.7519820 -1.3349946 3.8736268 0.4666423 0.3952284 0.2024865 3.3373174 15 Sb 4.2587325 0.8214095 -0.7519820 1.3349946 3.8736268 -0.4666423 0.3952284 -0.2024865 3.3373174 16 Sb 4.2587325 -0.8214095 -0.7519820 -1.3349946 3.8736268 0.4666423 0.3952284 0.2024865 3.3373174 17 As -1.1002078 0.1544951 0.0298215 0.2853582 -0.9993305 0.2659658 0.0453150 0.3900116 -0.8189823 18 As -1.1002078 -0.1544951 0.0298215 -0.2853582 -0.9993305 -0.2659658 0.0453150 -0.3900116 -0.8189823 19 As -1.1002078 0.1544951 0.0298215 0.2853582 -0.9993305 0.2659658 0.0453150 0.3900116 -0.8189823 20 As -1.1002078 -0.1544951 0.0298215 -0.2853582 -0.9993305 -0.2659658 0.0453150 -0.3900116 -0.8189823 21 S -3.4835022 -0.4112113 -0.2375309 -0.9138438 -2.3457690 0.2147832 -0.4455926 0.1972280 -2.4722582 22 S -2.8265724 0.6841811 0.3086987 0.4234406 -2.8460534 -0.1870031 -0.2056720 0.0100193 -3.5015288 23 S -3.4835022 0.4112113 -0.2375309 0.9138438 -2.3457690 -0.2147832 -0.4455926 -0.1972280 -2.4722582 24 S -2.5190765 -0.3619078 0.2119629 -0.3476290 -2.8290346 -0.0764370 0.2446941 0.2295926 -3.1144629 25 S -3.4835022 0.4112113 -0.2375309 0.9138438 -2.3457690 -0.2147832 -0.4455926 -0.1972280 -2.4722582 26 S -2.8265724 0.6841811 0.3086987 0.4234406 -2.8460534 -0.1870031 -0.2056720 0.0100193 -3.5015288 27 S -2.5190765 0.3619078 0.2119629 0.3476290 -2.8290346 0.0764370 0.2446941 -0.2295926 -3.1144629 28 S -2.8265724 -0.6841811 0.3086987 -0.4234406 -2.8460534 0.1870031 -0.2056720 -0.0100193 -3.5015288 29 S -2.8265724 -0.6841811 0.3086987 -0.4234406 -2.8460534 0.1870031 -0.2056720 -0.0100193 -3.5015288 30 S -2.5190765 0.3619078 0.2119629 0.3476290 -2.8290346 0.0764370 0.2446941 -0.2295926 -3.1144629 31 S -2.5190765 -0.3619078 0.2119629 -0.3476290 -2.8290346 -0.0764370 0.2446941 0.2295926 -3.1144629 32 S -3.4835022 -0.4112113 -0.2375309 -0.9138438 -2.3457690 0.2147832 -0.4455926 0.1972280 -2.4722582----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx)Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 5 12 3 ]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: 287, Lambda: 0.17Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/56) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.716 ( 0.000 0.000 0.000) 0.000 0.737 ( 0.000 0.000 0.000) 0.000 0.747 ( 0.000 0.000 0.000) 0.000 0.838 ( 0.000 0.000 0.000) 0.000 0.855 ( 0.000 0.000 0.000) 0.000 0.860 ( 0.000 0.000 0.000) 0.000 0.902 ( 0.000 0.000 0.000) 0.000 0.924 ( 0.000 0.000 0.000) 0.000 0.926 ( 0.000 0.000 0.000) 0.000 0.968 ( 0.000 0.000 0.000) 0.000 0.978 ( 0.000 0.000 0.000) 0.000 1.000 ( 0.000 0.000 0.000) 0.000 1.019 ( 0.000 0.000 0.000) 0.000 1.052 ( 0.000 0.000 0.000) 0.000 1.123 ( 0.000 0.000 0.000) 0.000 1.142 ( 0.000 0.000 0.000) 0.000 1.168 ( 0.000 0.000 0.000) 0.000 1.220 ( 0.000 0.000 0.000) 0.000 1.228 ( 0.000 0.000 0.000) 0.000 1.268 ( 0.000 0.000 0.000) 0.000 1.391 ( 0.000 0.000 0.000) 0.000 1.446 ( 0.000 0.000 0.000) 0.000 1.499 ( 0.000 0.000 0.000) 0.000 1.534 ( 0.000 0.000 0.000) 0.000 1.536 ( 0.000 0.000 0.000) 0.000 1.613 ( 0.000 0.000 0.000) 0.000 1.645 ( 0.000 0.000 0.000) 0.000 1.648 ( 0.000 0.000 0.000) 0.000 1.702 ( 0.000 0.000 0.000) 0.000 1.800 ( 0.000 0.000 0.000) 0.000 1.813 ( 0.000 0.000 0.000) 0.000 1.814 ( 0.000 0.000 0.000) 0.000 1.931 ( 0.000 0.000 0.000) 0.000 1.938 ( 0.000 0.000 0.000) 0.000 2.065 ( 0.000 0.000 0.000) 0.000 2.116 ( 0.000 0.000 0.000) 0.000 2.413 ( 0.000 0.000 0.000) 0.000 2.445 ( 0.000 0.000 0.000) 0.000 2.452 ( 0.000 0.000 0.000) 0.000 2.538 ( 0.000 0.000 0.000) 0.000 2.589 ( 0.000 0.000 0.000) 0.000 2.832 ( 0.000 0.000 0.000) 0.000 3.009 ( 0.000 0.000 0.000) 0.000 3.041 ( 0.000 0.000 0.000) 0.000 3.043 ( 0.000 0.000 0.000) 0.000 3.629 ( 0.000 0.000 0.000) 0.000 3.665 ( 0.000 0.000 0.000) 0.000 3.757 ( 0.000 0.000 0.000) 0.000 3.829 ( 0.000 0.000 0.000) 0.000 4.347 ( 0.000 0.000 0.000) 0.000 4.390 ( 0.000 0.000 0.000) 0.000 4.432 ( 0.000 0.000 0.000) 0.000 4.448 ( 0.000 0.000 0.000) 0.000 4.751 ( 0.000 0.000 0.000) 0.000 4.777 ( 0.000 0.000 0.000) 0.000 5.018 ( 0.000 0.000 0.000) 0.000 5.172 ( 0.000 0.000 0.000) 0.000 5.449 ( 0.000 0.000 0.000) 0.000 5.504 ( 0.000 0.000 0.000) 0.000 5.538 ( 0.000 0.000 0.000) 0.000 5.573 ( 0.000 0.000 0.000) 0.000 5.857 ( 0.000 0.000 0.000) 0.000 5.870 ( 0.000 0.000 0.000) 0.000 5.950 ( 0.000 0.000 0.000) 0.000 6.059 ( 0.000 0.000 0.000) 0.000 6.120 ( 0.000 0.000 0.000) 0.000 6.151 ( 0.000 0.000 0.000) 0.000 6.168 ( 0.000 0.000 0.000) 0.000 6.187 ( 0.000 0.000 0.000) 0.000 6.976 ( 0.000 0.000 0.000) 0.000 7.027 ( 0.000 0.000 0.000) 0.000 7.251 ( 0.000 0.000 0.000) 0.000 7.277 ( 0.000 0.000 0.000) 0.000 7.585 ( 0.000 0.000 0.000) 0.000 7.615 ( 0.000 0.000 0.000) 0.000 7.732 ( 0.000 0.000 0.000) 0.000 7.756 ( 0.000 0.000 0.000) 0.000 8.111 ( 0.000 0.000 0.000) 0.000 8.249 ( 0.000 0.000 0.000) 0.000 8.267 ( 0.000 0.000 0.000) 0.000 8.287 ( 0.000 0.000 0.000) 0.000 8.366 ( 0.000 0.000 0.000) 0.000 8.524 ( 0.000 0.000 0.000) 0.000 8.562 ( 0.000 0.000 0.000) 0.000 8.639 ( 0.000 0.000 0.000) 0.000 8.647 ( 0.000 0.000 0.000) 0.000 8.835 ( 0.000 0.000 0.000) 0.000 8.894 ( 0.000 0.000 0.000) 0.000 8.897 ( 0.000 0.000 0.000) 0.000 9.161 ( 0.000 0.000 0.000) 0.000 9.276 ( 0.000 0.000 0.000) 0.000 9.328 ( 0.000 0.000 0.000) 0.000 9.418 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/56) =======================q-point: ( 0.20 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.251 ( 6.389 0.000 10.044) 11.904 0.251 ( 5.293 0.000 12.808) 13.858 0.491 ( 18.923 0.000 10.582) 21.681 0.619 ( -1.976 0.000 -5.749) 6.079 0.707 ( -6.239 0.000 5.790) 8.511 0.735 ( -3.072 0.000 -1.102) 3.264 0.799 ( 0.503 0.000 -7.931) 7.947 0.842 ( -1.308 0.000 -1.329) 1.865 0.854 ( -0.819 0.000 0.476) 0.947 0.922 ( 4.597 0.000 -3.309) 5.664 0.951 ( 1.704 0.000 0.763) 1.867 0.952 ( 1.833 0.000 -0.384) 1.873 0.980 ( -0.814 0.000 -0.983) 1.277 0.991 ( 0.158 0.000 1.094) 1.106 1.020 ( 1.243 0.000 0.687) 1.420 1.041 ( 0.524 0.000 3.195) 3.237 1.065 ( 1.340 0.000 1.940) 2.357 1.128 ( -2.420 0.000 2.244) 3.301 1.140 ( 1.786 0.000 -1.598) 2.397 1.158 ( -0.191 0.000 -0.952) 0.971 1.193 ( 1.059 0.000 -3.157) 3.330 1.234 ( -0.835 0.000 -0.891) 1.221 1.286 ( -1.809 0.000 1.462) 2.326 1.321 ( -1.916 0.000 -6.342) 6.625 1.467 ( 1.910 0.000 1.080) 2.194 1.502 ( -2.637 0.000 0.228) 2.647 1.533 ( -0.142 0.000 2.763) 2.767 1.535 ( 0.505 0.000 -0.550) 0.746 1.604 ( -1.260 0.000 0.338) 1.304 1.643 ( 0.220 0.000 -1.552) 1.567 1.680 ( 0.564 0.000 2.674) 2.733 1.695 ( 0.219 0.000 -2.309) 2.320 1.770 ( -0.371 0.000 -4.305) 4.321 1.796 ( 0.168 0.000 -1.776) 1.784 1.883 ( -0.070 0.000 -1.994) 1.996 1.886 ( -1.855 0.000 2.972) 3.503 2.014 ( 1.966 0.000 3.526) 4.037 2.032 ( -3.508 0.000 -0.203) 3.514 2.161 ( 0.203 0.000 4.433) 4.437 2.381 ( -2.857 0.000 -4.419) 5.262 2.445 ( 3.328 0.000 -3.868) 5.103 2.470 ( 1.440 0.000 0.944) 1.722 2.559 ( 0.402 0.000 3.242) 3.267 2.583 ( -2.456 0.000 1.707) 2.991 2.861 ( -2.598 0.000 4.721) 5.388 2.973 ( -2.848 0.000 -0.485) 2.889 3.014 ( -1.252 0.000 -2.429) 2.733 3.047 ( 0.282 0.000 -0.454) 0.535 3.675 ( 3.374 0.000 1.347) 3.632 3.697 ( 4.409 0.000 -2.686) 5.163 3.779 ( 0.051 0.000 3.241) 3.242 3.824 ( -0.426 0.000 -0.222) 0.481 4.336 ( -0.929 0.000 0.062) 0.931 4.418 ( -4.050 0.000 1.478) 4.312 4.438 ( 1.310 0.000 -1.562) 2.039 4.525 ( -0.776 0.000 3.169) 3.263 4.769 ( 2.566 0.000 -0.199) 2.574 4.984 ( -1.043 0.000 -2.497) 2.706 5.125 ( -1.776 0.000 -3.981) 4.359 5.200 ( 2.101 0.000 -0.126) 2.105 5.462 ( 0.604 0.000 0.940) 1.117 5.494 ( -0.628 0.000 -0.409) 0.749 5.538 ( 0.341 0.000 -0.576) 0.669 5.566 ( -0.333 0.000 -0.928) 0.986 5.839 ( -2.303 0.000 -0.784) 2.433 5.855 ( -0.790 0.000 0.817) 1.137 5.987 ( 2.228 0.000 1.921) 2.942 6.054 ( -0.116 0.000 -1.307) 1.313 6.132 ( 1.382 0.000 0.284) 1.411 6.156 ( 0.653 0.000 -0.210) 0.686 6.181 ( -0.152 0.000 -0.727) 0.742 6.186 ( 0.431 0.000 0.326) 0.540 7.054 ( 6.840 0.000 2.683) 7.347 7.164 ( 10.571 0.000 -10.132) 14.642 7.262 ( 0.480 0.000 0.754) 0.894 7.280 ( 0.547 0.000 -0.437) 0.700 7.595 ( -1.438 0.000 -0.504) 1.523 7.693 ( -1.868 0.000 2.412) 3.051 7.725 ( -0.212 0.000 -0.915) 0.940 7.760 ( 0.724 0.000 -0.299) 0.783 8.123 ( -7.901 0.000 -2.190) 8.199 8.211 ( -4.594 0.000 -3.435) 5.737 8.355 ( -2.890 0.000 2.040) 3.538 8.356 ( 3.441 0.000 1.681) 3.830 8.420 ( -4.926 0.000 7.256) 8.770 8.498 ( -4.615 0.000 0.434) 4.635 8.546 ( 0.192 0.000 2.874) 2.881 8.643 ( -2.097 0.000 -0.154) 2.103 8.797 ( -2.454 0.000 3.106) 3.959 8.871 ( 4.692 0.000 -4.895) 6.780 8.906 ( 0.692 0.000 3.085) 3.162 8.934 ( 5.487 0.000 -5.019) 7.436 9.278 ( -0.543 0.000 1.066) 1.196 9.292 ( 3.355 0.000 -1.060) 3.519 9.321 ( -0.383 0.000 -0.364) 0.528 9.419 ( -0.342 0.000 0.443) 0.559======================= Grid point 2 (3/56) =======================q-point: ( 0.40 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.431 ( 2.816 0.000 4.661) 5.446 0.466 ( 3.351 0.000 8.011) 8.683 0.555 ( -0.287 0.000 -1.056) 1.094 0.650 ( -2.251 0.000 -2.697) 3.513 0.687 ( -3.364 0.000 3.439) 4.811 0.739 ( 1.185 0.000 -0.128) 1.191 0.776 ( -1.941 0.000 -3.876) 4.335 0.810 ( 2.113 0.000 -4.495) 4.967 0.858 ( 2.846 0.000 6.165) 6.790 0.917 ( -0.421 0.000 -2.567) 2.601 0.943 ( -0.595 0.000 1.649) 1.753 0.953 ( 1.215 0.000 -2.939) 3.180 1.002 ( 3.267 0.000 3.052) 4.471 1.034 ( 1.693 0.000 0.752) 1.852 1.054 ( 0.963 0.000 0.238) 0.992 1.090 ( 0.656 0.000 2.862) 2.936 1.113 ( -0.980 0.000 0.589) 1.144 1.126 ( 0.305 0.000 -2.058) 2.080 1.131 ( 2.100 0.000 1.938) 2.857 1.165 ( 0.411 0.000 0.585) 0.715 1.181 ( -0.067 0.000 -0.460) 0.465 1.201 ( 0.153 0.000 -5.413) 5.415 1.219 ( -1.336 0.000 -4.661) 4.848 1.249 ( -2.007 0.000 1.047) 2.264 1.468 ( -1.545 0.000 0.623) 1.666 1.520 ( 1.038 0.000 1.823) 2.098 1.543 ( 0.813 0.000 -0.512) 0.961 1.566 ( 1.381 0.000 -0.651) 1.527 1.582 ( -2.894 0.000 3.785) 4.765 1.626 ( -0.220 0.000 -0.882) 0.909 1.640 ( -0.426 0.000 -5.263) 5.280 1.676 ( -1.104 0.000 -0.595) 1.254 1.763 ( 1.407 0.000 -0.027) 1.408 1.805 ( 1.898 0.000 0.127) 1.902 1.869 ( -1.240 0.000 -2.048) 2.394 1.871 ( 0.177 0.000 -0.662) 0.685 1.972 ( -2.983 0.000 1.711) 3.439 2.075 ( 1.239 0.000 1.269) 1.774 2.190 ( -0.967 0.000 1.768) 2.016 2.285 ( -1.875 0.000 -2.707) 3.293 2.473 ( 4.206 0.000 -2.652) 4.972 2.505 ( 0.861 0.000 0.553) 1.023 2.542 ( -4.341 0.000 1.935) 4.753 2.624 ( 1.446 0.000 3.062) 3.386 2.881 ( -1.275 0.000 3.842) 4.048 2.917 ( -1.950 0.000 -0.871) 2.136 2.958 ( -0.553 0.000 -3.222) 3.269 3.040 ( -0.260 0.000 -0.292) 0.391 3.744 ( 2.736 0.000 0.579) 2.797 3.751 ( 3.109 0.000 0.032) 3.109 3.804 ( -1.494 0.000 -0.489) 1.572 3.807 ( -1.849 0.000 2.716) 3.286 4.326 ( -0.273 0.000 0.101) 0.291 4.358 ( -2.390 0.000 -0.292) 2.408 4.440 ( 0.399 0.000 -0.699) 0.805 4.542 ( -0.082 0.000 0.766) 0.770 4.838 ( 3.383 0.000 1.268) 3.613 4.949 ( -0.431 0.000 -0.885) 0.984 5.046 ( -1.387 0.000 -3.250) 3.534 5.224 ( 0.328 0.000 0.486) 0.586 5.480 ( -0.328 0.000 -0.222) 0.396 5.486 ( 0.578 0.000 0.857) 1.034 5.535 ( 0.134 0.000 -0.412) 0.433 5.545 ( -0.462 0.000 -0.937) 1.045 5.798 ( -1.044 0.000 -0.435) 1.131 5.850 ( -0.503 0.000 0.383) 0.632 6.035 ( -0.381 0.000 -0.593) 0.705 6.045 ( 1.225 0.000 1.559) 1.983 6.156 ( -0.193 0.000 -0.797) 0.820 6.158 ( 1.072 0.000 -0.188) 1.089 6.176 ( 0.424 0.000 -0.083) 0.432 6.195 ( 0.020 0.000 0.450) 0.450 7.220 ( 3.926 0.000 -2.658) 4.741 7.230 ( 4.921 0.000 4.483) 6.656 7.277 ( 0.288 0.000 0.358) 0.460 7.285 ( 1.863 0.000 -1.473) 2.375 7.571 ( -0.808 0.000 0.149) 0.822 7.701 ( -0.867 0.000 2.304) 2.462 7.712 ( 0.324 0.000 -0.479) 0.578 7.773 ( 1.087 0.000 -0.405) 1.160 7.942 ( -6.817 0.000 -3.381) 7.609 8.094 ( -3.507 0.000 -1.909) 3.993 8.327 ( -1.677 0.000 0.795) 1.856 8.413 ( 1.326 0.000 0.727) 1.512 8.418 ( -0.635 0.000 0.680) 0.931 8.453 ( -1.228 0.000 0.373) 1.283 8.581 ( -0.026 0.000 1.873) 1.873 8.596 ( -2.103 0.000 0.183) 2.111 8.811 ( -0.725 0.000 2.885) 2.975 8.869 ( 2.155 0.000 -4.439) 4.934 8.949 ( 0.284 0.000 1.100) 1.136 8.961 ( 2.991 0.000 -2.449) 3.866 9.281 ( -0.412 0.000 0.721) 0.831 9.310 ( -0.318 0.000 -0.196) 0.374 9.343 ( 1.908 0.000 0.725) 2.041 9.412 ( -0.753 0.000 0.066) 0.756======================= Grid point 5 (4/56) =======================q-point: ( 0.00 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.214 ( 0.000 10.908 0.000) 10.908 0.326 ( 0.000 15.701 0.000) 15.701 0.385 ( 0.000 19.244 0.000) 19.244 0.723 ( 0.000 0.696 0.000) 0.696 0.758 ( 0.000 0.690 0.000) 0.690 0.768 ( 0.000 2.325 0.000) 2.325 0.838 ( 0.000 0.826 0.000) 0.826 0.851 ( 0.000 0.663 0.000) 0.663 0.885 ( 0.000 2.499 0.000) 2.499 0.934 ( 0.000 0.808 0.000) 0.808 0.939 ( 0.000 0.978 0.000) 0.978 0.959 ( 0.000 3.758 0.000) 3.758 0.981 ( 0.000 1.191 0.000) 1.191 1.000 ( 0.000 0.059 0.000) 0.059 1.001 ( 0.000 1.630 0.000) 1.630 1.038 ( 0.000 -1.052 0.000) 1.052 1.043 ( 0.000 2.422 0.000) 2.422 1.138 ( 0.000 -0.014 0.000) 0.014 1.140 ( 0.000 0.853 0.000) 0.853 1.168 ( 0.000 0.202 0.000) 0.202 1.227 ( 0.000 -0.007 0.000) 0.007 1.238 ( 0.000 1.154 0.000) 1.154 1.275 ( 0.000 0.669 0.000) 0.669 1.349 ( 0.000 -2.515 0.000) 2.515 1.477 ( 0.000 1.227 0.000) 1.227 1.511 ( 0.000 1.814 0.000) 1.814 1.532 ( 0.000 -0.134 0.000) 0.134 1.534 ( 0.000 -0.532 0.000) 0.532 1.578 ( 0.000 -1.998 0.000) 1.998 1.642 ( 0.000 0.134 0.000) 0.134 1.655 ( 0.000 -0.168 0.000) 0.168 1.700 ( 0.000 -0.195 0.000) 0.195 1.809 ( 0.000 -0.009 0.000) 0.009 1.852 ( 0.000 3.992 0.000) 3.992 1.867 ( 0.000 2.013 0.000) 2.013 1.975 ( 0.000 2.600 0.000) 2.600 1.987 ( 0.000 5.478 0.000) 5.478 2.110 ( 0.000 4.145 0.000) 4.145 2.120 ( 0.000 0.570 0.000) 0.570 2.398 ( 0.000 -1.430 0.000) 1.430 2.441 ( 0.000 -0.294 0.000) 0.294 2.458 ( 0.000 -0.752 0.000) 0.752 2.560 ( 0.000 2.069 0.000) 2.069 2.599 ( 0.000 0.880 0.000) 0.880 2.842 ( 0.000 0.885 0.000) 0.885 2.995 ( 0.000 -1.205 0.000) 1.205 3.013 ( 0.000 -2.908 0.000) 2.908 3.019 ( 0.000 -2.804 0.000) 2.804 3.644 ( 0.000 -1.875 0.000) 1.875 3.781 ( 0.000 1.969 0.000) 1.969 3.806 ( 0.000 -1.472 0.000) 1.472 4.025 ( 0.000 2.041 0.000) 2.041 4.342 ( 0.000 -0.804 0.000) 0.804 4.363 ( 0.000 -2.563 0.000) 2.563 4.438 ( 0.000 -1.379 0.000) 1.379 4.558 ( 0.000 -2.968 0.000) 2.968 4.785 ( 0.000 0.908 0.000) 0.908 4.860 ( 0.000 -2.598 0.000) 2.598 5.045 ( 0.000 2.579 0.000) 2.579 5.167 ( 0.000 -0.346 0.000) 0.346 5.459 ( 0.000 1.057 0.000) 1.057 5.513 ( 0.000 0.896 0.000) 0.896 5.562 ( 0.000 2.312 0.000) 2.312 5.592 ( 0.000 1.827 0.000) 1.827 5.862 ( 0.000 0.548 0.000) 0.548 5.888 ( 0.000 1.683 0.000) 1.683 5.955 ( 0.000 0.504 0.000) 0.504 6.058 ( 0.000 -0.259 0.000) 0.259 6.127 ( 0.000 0.748 0.000) 0.748 6.156 ( 0.000 0.401 0.000) 0.401 6.173 ( 0.000 0.293 0.000) 0.293 6.203 ( 0.000 -0.444 0.000) 0.444 7.043 ( 0.000 1.301 0.000) 1.301 7.271 ( 0.000 -0.555 0.000) 0.555 7.279 ( 0.000 2.329 0.000) 2.329 7.340 ( 0.000 -1.961 0.000) 1.961 7.607 ( 0.000 1.203 0.000) 1.203 7.609 ( 0.000 0.600 0.000) 0.600 7.721 ( 0.000 -2.275 0.000) 2.275 7.783 ( 0.000 0.898 0.000) 0.898 8.074 ( 0.000 -3.407 0.000) 3.407 8.209 ( 0.000 -5.483 0.000) 5.483 8.243 ( 0.000 -0.575 0.000) 0.575 8.324 ( 0.000 0.851 0.000) 0.851 8.398 ( 0.000 2.909 0.000) 2.909 8.539 ( 0.000 1.398 0.000) 1.398 8.633 ( 0.000 2.985 0.000) 2.985 8.633 ( 0.000 0.332 0.000) 0.332 8.677 ( 0.000 1.842 0.000) 1.842 8.822 ( 0.000 -1.294 0.000) 1.294 8.872 ( 0.000 -1.884 0.000) 1.884 8.949 ( 0.000 -4.698 0.000) 4.698 9.153 ( 0.000 -0.944 0.000) 0.944 9.284 ( 0.000 -3.642 0.000) 3.642 9.312 ( 0.000 -1.453 0.000) 1.453 9.464 ( 0.000 1.925 0.000) 1.925======================= Grid point 6 (5/56) =======================q-point: ( 0.20 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.285 ( 5.066 10.630 -0.721) 11.798 0.395 ( 8.315 6.560 5.326) 11.855 0.608 ( 6.973 9.261 8.727) 14.510 0.651 ( 0.747 3.614 -3.573) 5.136 0.718 ( -3.023 0.360 -1.077) 3.230 0.755 ( -3.480 2.003 2.587) 4.777 0.785 ( 0.862 0.464 -8.540) 8.596 0.839 ( -0.550 0.103 -0.005) 0.560 0.885 ( -2.523 2.561 -0.480) 3.627 0.949 ( -0.028 0.890 0.901) 1.267 0.959 ( 4.038 1.570 -1.870) 4.719 0.971 ( 1.348 2.121 -0.567) 2.576 0.996 ( -0.169 0.824 -0.238) 0.874 1.009 ( 0.499 0.770 -0.491) 1.041 1.019 ( 0.691 1.502 2.211) 2.760 1.060 ( 1.572 1.238 3.396) 3.941 1.066 ( 0.655 0.913 1.760) 2.088 1.130 ( -1.212 0.218 0.770) 1.453 1.146 ( -0.165 0.149 0.567) 0.609 1.155 ( 1.128 1.006 -2.377) 2.817 1.210 ( 0.133 0.968 -0.744) 1.228 1.233 ( -1.080 -0.060 -0.828) 1.363 1.276 ( -0.537 -0.095 0.136) 0.562 1.319 ( -1.161 -0.217 -3.575) 3.765 1.477 ( 0.800 0.456 -0.519) 1.057 1.506 ( -2.099 0.802 1.067) 2.487 1.531 ( 0.295 -0.159 -0.062) 0.341 1.539 ( 0.291 0.292 1.542) 1.596 1.582 ( -0.277 -1.218 0.774) 1.470 1.646 ( 0.715 -0.117 -1.995) 2.123 1.674 ( 0.638 -0.175 2.649) 2.731 1.691 ( 0.049 -0.269 -1.784) 1.805 1.793 ( -0.224 1.803 -2.455) 3.054 1.832 ( 0.083 2.647 -1.487) 3.037 1.894 ( 0.368 2.237 0.890) 2.435 1.923 ( 1.057 3.859 -3.422) 5.265 2.053 ( 0.618 4.301 2.739) 5.137 2.087 ( -1.905 4.405 1.116) 4.927 2.163 ( 0.360 0.123 4.275) 4.292 2.379 ( -3.009 -0.210 -3.964) 4.981 2.421 ( 2.664 -2.064 -1.849) 3.844 2.466 ( 0.504 -0.675 0.775) 1.145 2.564 ( -0.764 0.934 1.847) 2.206 2.590 ( -1.325 0.642 1.076) 1.824 2.861 ( -1.123 0.177 3.187) 3.384 2.952 ( -2.393 -2.095 -1.277) 3.427 2.985 ( -1.824 -2.353 -1.393) 3.287 3.032 ( 0.003 -1.630 0.602) 1.737 3.651 ( 0.900 -2.292 0.661) 2.550 3.757 ( -1.660 1.652 -1.792) 2.949 3.814 ( 1.865 2.060 0.997) 2.953 3.912 ( -2.883 7.388 -1.091) 8.005 4.331 ( -0.710 -0.379 0.253) 0.843 4.362 ( -1.933 -4.127 1.629) 4.839 4.433 ( 1.059 -0.968 -1.567) 2.124 4.534 ( -0.683 -1.036 -0.066) 1.242 4.736 ( 1.751 -2.159 0.444) 2.815 4.928 ( -2.190 -2.845 -1.952) 4.086 5.141 ( 1.492 1.575 -0.446) 2.214 5.173 ( 3.935 -2.131 0.423) 4.495 5.470 ( 0.564 0.928 0.775) 1.334 5.504 ( -0.475 0.969 -0.515) 1.196 5.561 ( 0.122 2.334 -0.301) 2.356 5.587 ( -0.262 1.903 -0.567) 2.003 5.847 ( -1.794 0.764 -0.332) 1.978 5.868 ( -1.233 1.328 0.263) 1.831 5.994 ( 2.478 0.682 1.541) 2.997 6.061 ( 0.597 0.526 -1.187) 1.429 6.132 ( 0.677 0.268 0.475) 0.869 6.159 ( 0.583 0.283 -0.419) 0.772 6.181 ( 0.202 0.158 0.501) 0.562 6.190 ( -0.362 -0.147 -0.712) 0.812 7.016 ( 1.825 -0.628 0.332) 1.959 7.242 ( 2.810 1.050 -2.445) 3.870 7.284 ( 1.152 2.128 -0.684) 2.515 7.325 ( 2.034 3.792 -2.285) 4.872 7.586 ( -1.269 -0.355 -1.000) 1.654 7.693 ( -0.287 0.066 2.886) 2.901 7.724 ( 0.211 -0.588 -0.557) 0.837 7.741 ( -0.510 -0.939 -0.879) 1.384 8.025 ( -5.339 -6.384 -1.704) 8.495 8.241 ( -6.140 0.237 2.754) 6.733 8.326 ( 4.462 -5.659 1.355) 7.332 8.341 ( -0.220 -1.417 4.645) 4.862 8.391 ( -1.311 2.545 1.070) 3.056 8.515 ( -4.096 1.779 0.055) 4.466 8.567 ( -0.727 1.653 2.698) 3.246 8.644 ( -2.607 0.340 -0.364) 2.654 8.732 ( 4.154 -1.765 -0.374) 4.528 8.827 ( 2.477 -2.103 -2.659) 4.199 8.900 ( 2.589 -1.554 0.399) 3.046 8.972 ( 4.136 -0.108 -3.759) 5.590 9.206 ( 3.028 -3.630 1.725) 5.032 9.265 ( 0.815 -2.754 -2.677) 3.926 9.317 ( -2.153 -1.598 3.192) 4.168 9.444 ( -1.309 1.620 -0.068) 2.084======================= Grid point 7 (6/56) =======================q-point: ( 0.40 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.430 ( 5.135 2.996 5.006) 7.772 0.543 ( 1.110 5.284 3.340) 6.349 0.568 ( -0.315 2.142 -2.280) 3.144 0.656 ( -1.779 0.716 -0.969) 2.149 0.685 ( -0.730 -0.278 -3.955) 4.032 0.754 ( 0.022 1.547 1.956) 2.494 0.789 ( -1.477 1.252 -1.974) 2.765 0.820 ( -0.535 1.309 -3.171) 3.472 0.873 ( 2.034 1.786 4.206) 5.002 0.934 ( -0.207 2.046 -2.180) 2.997 0.960 ( -0.165 0.669 0.933) 1.159 0.986 ( -0.042 2.359 -2.041) 3.120 1.001 ( 1.117 0.063 1.143) 1.599 1.048 ( 2.725 0.384 1.526) 3.147 1.053 ( 0.723 1.813 1.137) 2.259 1.105 ( 1.077 0.499 1.583) 1.978 1.109 ( -0.067 0.404 1.030) 1.109 1.136 ( -0.169 0.838 0.613) 1.052 1.146 ( 1.015 1.080 0.781) 1.675 1.164 ( 1.165 0.862 -0.579) 1.561 1.211 ( -0.732 2.272 0.429) 2.425 1.217 ( -1.284 1.320 -4.258) 4.639 1.219 ( 0.484 -0.011 -1.097) 1.199 1.261 ( -1.302 1.353 -1.049) 2.150 1.485 ( -1.270 1.506 1.131) 2.271 1.498 ( 1.093 -1.770 0.112) 2.083 1.536 ( 0.168 -0.405 -0.028) 0.439 1.564 ( 1.106 -0.175 -0.968) 1.480 1.588 ( -1.308 0.788 3.955) 4.240 1.636 ( 0.113 0.273 -0.679) 0.741 1.640 ( -0.839 0.013 -3.874) 3.964 1.718 ( 0.182 3.604 1.302) 3.837 1.761 ( 0.886 0.841 -2.326) 2.627 1.840 ( 1.009 2.966 0.612) 3.192 1.893 ( 0.186 2.547 -0.073) 2.555 1.925 ( 1.059 5.282 -2.474) 5.928 2.016 ( -3.224 4.225 1.324) 5.477 2.126 ( 1.139 4.586 1.446) 4.941 2.195 ( -0.953 0.273 1.618) 1.898 2.287 ( -1.759 0.227 -2.351) 2.945 2.449 ( 3.876 -2.315 -2.482) 5.152 2.480 ( -1.701 -1.996 1.796) 3.178 2.555 ( -1.603 1.056 0.838) 2.094 2.604 ( 0.539 -1.559 1.646) 2.330 2.871 ( -1.163 -2.069 1.622) 2.874 2.908 ( -1.437 -0.315 0.888) 1.718 2.935 ( -0.774 -1.699 -2.602) 3.203 3.032 ( -0.313 -0.864 0.168) 0.934 3.692 ( 2.274 -3.311 0.579) 4.058 3.734 ( -0.322 -0.389 -0.577) 0.766 3.848 ( 1.189 2.791 0.096) 3.035 3.874 ( -2.566 3.991 1.129) 4.877 4.322 ( -0.466 -2.281 -0.208) 2.338 4.344 ( -1.281 0.095 0.827) 1.528 4.436 ( 0.622 -0.604 -0.625) 1.069 4.533 ( 0.205 -1.423 0.220) 1.454 4.799 ( 3.761 -4.630 0.354) 5.975 4.864 ( -2.704 -2.607 -0.337) 3.771 5.100 ( -0.387 2.129 -2.878) 3.601 5.239 ( 1.022 1.189 1.057) 1.891 5.488 ( 0.272 0.705 0.401) 0.855 5.492 ( -0.117 0.845 -0.197) 0.875 5.562 ( 0.115 2.584 0.191) 2.594 5.572 ( -0.310 2.417 -0.800) 2.565 5.812 ( -0.975 1.350 -0.403) 1.714 5.858 ( -0.520 0.782 0.305) 0.988 6.047 ( 0.688 0.956 0.390) 1.241 6.053 ( 0.449 1.006 0.355) 1.158 6.154 ( -0.252 -0.119 -0.756) 0.805 6.155 ( 1.002 -0.140 0.223) 1.036 6.179 ( 0.144 -0.001 -0.398) 0.423 6.194 ( 0.139 -0.018 0.502) 0.521 7.121 ( 7.471 -4.065 -0.084) 8.505 7.247 ( -2.301 -1.927 1.091) 3.193 7.302 ( 1.099 1.074 -0.350) 1.576 7.331 ( -0.533 2.763 0.335) 2.834 7.558 ( -0.692 -0.800 -0.393) 1.129 7.692 ( -1.217 -0.639 1.757) 2.231 7.714 ( -0.081 0.124 -0.448) 0.472 7.756 ( 1.337 -1.372 -0.164) 1.923 7.929 ( -1.377 -0.440 -2.953) 3.288 8.125 ( -5.416 1.955 -0.909) 5.830 8.356 ( -1.397 2.505 1.367) 3.177 8.370 ( 0.066 -3.608 0.386) 3.630 8.399 ( 0.933 -1.302 0.425) 1.657 8.485 ( -0.439 2.212 0.839) 2.406 8.583 ( -1.807 -0.721 0.123) 1.949 8.600 ( -0.654 1.489 1.565) 2.257 8.790 ( 1.605 -2.181 1.677) 3.186 8.825 ( 1.164 -2.089 -3.199) 3.994 8.948 ( 1.870 -0.752 0.135) 2.020 8.985 ( 1.661 1.173 -2.278) 3.053 9.244 ( 0.094 -4.196 0.015) 4.197 9.261 ( 0.383 -1.575 -0.105) 1.624 9.332 ( 0.501 -2.466 1.600) 2.982 9.422 ( -1.071 0.489 -0.012) 1.178======================= Grid point 10 (7/56) =======================q-point: ( 0.00 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.421 ( 0.000 10.231 0.000) 10.231 0.598 ( 0.000 12.088 0.000) 12.088 0.705 ( 0.000 9.338 0.000) 9.338 0.749 ( 0.000 3.695 0.000) 3.695 0.776 ( 0.000 1.706 0.000) 1.706 0.820 ( 0.000 4.258 0.000) 4.258 0.867 ( 0.000 1.758 0.000) 1.758 0.884 ( 0.000 2.220 0.000) 2.220 0.936 ( 0.000 1.813 0.000) 1.813 0.945 ( 0.000 0.592 0.000) 0.592 0.965 ( 0.000 1.327 0.000) 1.327 1.005 ( 0.000 1.766 0.000) 1.766 1.007 ( 0.000 0.795 0.000) 0.795 1.025 ( 0.000 2.817 0.000) 2.817 1.026 ( 0.000 1.201 0.000) 1.201 1.050 ( 0.000 2.497 0.000) 2.497 1.100 ( 0.000 2.756 0.000) 2.756 1.162 ( 0.000 2.860 0.000) 2.860 1.173 ( 0.000 1.162 0.000) 1.162 1.176 ( 0.000 2.054 0.000) 2.054 1.236 ( 0.000 1.186 0.000) 1.186 1.249 ( 0.000 -0.055 0.000) 0.055 1.293 ( 0.000 1.044 0.000) 1.044 1.314 ( 0.000 -1.143 0.000) 1.143 1.491 ( 0.000 0.913 0.000) 0.913 1.521 ( 0.000 -0.238 0.000) 0.238 1.531 ( 0.000 0.186 0.000) 0.186 1.564 ( 0.000 0.316 0.000) 0.316 1.564 ( 0.000 2.890 0.000) 2.890 1.640 ( 0.000 -1.234 0.000) 1.234 1.654 ( 0.000 1.008 0.000) 1.008 1.693 ( 0.000 -0.636 0.000) 0.636 1.811 ( 0.000 0.203 0.000) 0.203 1.907 ( 0.000 2.316 0.000) 2.316 1.918 ( 0.000 2.321 0.000) 2.321 2.031 ( 0.000 2.410 0.000) 2.410 2.112 ( 0.000 6.453 0.000) 6.453 2.145 ( 0.000 2.015 0.000) 2.015 2.200 ( 0.000 4.394 0.000) 4.394 2.359 ( 0.000 -2.514 0.000) 2.514 2.443 ( 0.000 0.732 0.000) 0.732 2.455 ( 0.000 0.565 0.000) 0.565 2.609 ( 0.000 2.805 0.000) 2.805 2.623 ( 0.000 1.900 0.000) 1.900 2.860 ( 0.000 0.777 0.000) 0.777 2.941 ( 0.000 -4.210 0.000) 4.210 2.948 ( 0.000 -4.057 0.000) 4.057 2.970 ( 0.000 -1.352 0.000) 1.352 3.609 ( 0.000 -1.162 0.000) 1.162 3.791 ( 0.000 -0.065 0.000) 0.065 3.811 ( 0.000 0.661 0.000) 0.661 4.049 ( 0.000 0.050 0.000) 0.050 4.298 ( 0.000 -3.946 0.000) 3.946 4.308 ( 0.000 -2.696 0.000) 2.696 4.390 ( 0.000 -3.371 0.000) 3.371 4.462 ( 0.000 -6.525 0.000) 6.525 4.813 ( 0.000 1.980 0.000) 1.980 4.829 ( 0.000 -0.192 0.000) 0.192 5.105 ( 0.000 3.152 0.000) 3.152 5.164 ( 0.000 0.006 0.000) 0.006 5.491 ( 0.000 2.206 0.000) 2.206 5.535 ( 0.000 1.232 0.000) 1.232 5.619 ( 0.000 3.393 0.000) 3.393 5.639 ( 0.000 2.948 0.000) 2.948 5.878 ( 0.000 0.988 0.000) 0.988 5.930 ( 0.000 2.483 0.000) 2.483 5.971 ( 0.000 1.131 0.000) 1.131 6.044 ( 0.000 -1.187 0.000) 1.187 6.145 ( 0.000 0.844 0.000) 0.844 6.163 ( 0.000 0.202 0.000) 0.202 6.171 ( 0.000 -0.568 0.000) 0.568 6.194 ( 0.000 -0.211 0.000) 0.211 7.061 ( 0.000 0.331 0.000) 0.331 7.255 ( 0.000 -1.231 0.000) 1.231 7.268 ( 0.000 -3.995 0.000) 3.995 7.324 ( 0.000 -0.211 0.000) 0.211 7.615 ( 0.000 1.403 0.000) 1.403 7.663 ( 0.000 3.187 0.000) 3.187 7.694 ( 0.000 0.361 0.000) 0.361 7.800 ( 0.000 1.010 0.000) 1.010 7.996 ( 0.000 -4.213 0.000) 4.213 8.092 ( 0.000 -6.025 0.000) 6.025 8.229 ( 0.000 -0.796 0.000) 0.796 8.335 ( 0.000 0.373 0.000) 0.373 8.462 ( 0.000 3.304 0.000) 3.304 8.568 ( 0.000 1.146 0.000) 1.146 8.653 ( 0.000 1.670 0.000) 1.670 8.700 ( 0.000 0.247 0.000) 0.247 8.707 ( 0.000 4.319 0.000) 4.319 8.789 ( 0.000 -1.891 0.000) 1.891 8.840 ( 0.000 -5.429 0.000) 5.429 8.845 ( 0.000 -0.333 0.000) 0.333 9.123 ( 0.000 -2.056 0.000) 2.056 9.233 ( 0.000 -1.770 0.000) 1.770 9.282 ( 0.000 -1.279 0.000) 1.279 9.471 ( 0.000 -1.016 0.000) 1.016======================= Grid point 11 (8/56) =======================q-point: ( 0.20 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 91Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.499 ( 4.559 8.063 0.255) 9.267 0.558 ( 3.417 11.607 -3.847) 12.696 0.697 ( -0.347 1.312 -2.907) 3.208 0.715 ( 1.404 1.700 -9.342) 9.598 0.782 ( -1.390 4.154 4.154) 6.037 0.814 ( 0.670 5.944 2.228) 6.383 0.844 ( -2.273 3.803 -2.521) 5.098 0.870 ( 0.071 3.218 0.320) 3.235 0.929 ( -2.014 1.640 -0.793) 2.716 0.960 ( -0.797 0.687 2.024) 2.281 0.992 ( 1.020 0.493 0.646) 1.304 1.009 ( 1.550 2.569 -2.399) 3.841 1.021 ( 0.755 1.455 -1.220) 2.043 1.036 ( 0.270 2.688 1.467) 3.074 1.046 ( 2.428 0.538 2.749) 3.707 1.088 ( 0.602 2.573 3.557) 4.431 1.109 ( 1.281 2.343 -0.658) 2.750 1.150 ( -2.247 1.822 2.481) 3.811 1.163 ( -0.228 1.238 -0.768) 1.474 1.184 ( 1.626 2.196 -1.745) 3.243 1.224 ( -0.649 0.494 -0.741) 1.102 1.243 ( -0.251 1.654 1.050) 1.975 1.284 ( -0.676 0.431 -0.343) 0.871 1.317 ( 0.390 0.161 -1.382) 1.445 1.474 ( -1.722 -0.400 -0.347) 1.802 1.519 ( -1.013 0.082 1.454) 1.774 1.539 ( 1.112 -0.062 0.655) 1.292 1.550 ( -0.103 2.210 -0.801) 2.352 1.585 ( 0.354 1.357 1.554) 2.093 1.643 ( 0.587 0.012 -1.813) 1.905 1.676 ( 0.937 0.193 2.105) 2.312 1.685 ( 0.201 -0.550 -1.226) 1.358 1.831 ( 1.574 2.337 0.069) 2.818 1.887 ( 1.185 2.979 -1.547) 3.560 1.949 ( 0.180 2.586 1.751) 3.128 2.012 ( 2.012 4.076 -3.683) 5.850 2.159 ( 1.275 5.104 2.191) 5.699 2.164 ( 0.003 2.353 3.000) 3.813 2.185 ( -1.256 3.774 0.841) 4.066 2.356 ( -0.604 -2.782 -2.623) 3.871 2.393 ( -1.684 0.087 -0.613) 1.794 2.459 ( -0.848 0.323 0.579) 1.076 2.597 ( -1.237 2.287 0.260) 2.613 2.608 ( -1.325 1.567 -0.392) 2.089 2.855 ( -0.601 -1.563 -1.053) 1.978 2.899 ( -1.294 -2.991 -2.890) 4.356 2.936 ( -1.887 -2.292 1.995) 3.577 2.994 ( -0.503 -2.137 2.480) 3.312 3.615 ( 0.623 -0.992 0.356) 1.224 3.767 ( -1.800 0.142 -0.126) 1.810 3.846 ( 1.834 0.788 1.602) 2.559 3.994 ( -3.306 1.195 -2.174) 4.133 4.272 ( -1.685 -4.573 -0.825) 4.943 4.323 ( 0.395 -1.290 1.754) 2.212 4.388 ( 0.189 -3.484 -0.148) 3.493 4.457 ( 1.951 -5.885 -2.580) 6.715 4.741 ( -1.061 2.502 0.176) 2.723 4.905 ( -0.732 0.014 -0.008) 0.732 5.134 ( 1.514 -1.512 -1.441) 2.579 5.178 ( 2.555 1.853 2.393) 3.961 5.499 ( 0.377 2.043 0.510) 2.139 5.529 ( -0.303 1.468 -0.489) 1.576 5.620 ( 0.037 3.408 0.143) 3.411 5.634 ( -0.273 2.921 -0.231) 2.943 5.865 ( -1.144 1.009 0.008) 1.526 5.903 ( -1.873 2.153 -0.064) 2.854 6.014 ( 2.904 1.421 0.889) 3.353 6.064 ( 2.034 -0.406 -0.793) 2.221 6.141 ( -0.013 0.584 -0.027) 0.585 6.163 ( -0.086 -0.051 -0.230) 0.251 6.176 ( -0.037 -0.674 0.554) 0.873 6.188 ( 0.003 0.261 -0.326) 0.418 7.014 ( -1.998 -0.253 0.381) 2.050 7.235 ( 0.073 -1.415 -0.319) 1.452 7.312 ( 1.517 -0.411 -0.967) 1.845 7.326 ( 0.981 -3.189 -1.194) 3.544 7.604 ( -1.404 2.190 -0.730) 2.702 7.699 ( -1.394 0.281 2.669) 3.025 7.710 ( 2.466 0.911 -0.064) 2.630 7.749 ( -2.434 1.073 -1.038) 2.855 7.928 ( -2.107 -3.285 -0.860) 3.997 8.174 ( 1.272 -5.447 3.081) 6.386 8.261 ( 1.142 -1.438 1.680) 2.489 8.330 ( -0.103 -0.576 -0.065) 0.588 8.448 ( -1.569 2.982 0.346) 3.387 8.566 ( -3.348 3.325 -0.282) 4.727 8.587 ( -0.870 0.164 1.462) 1.709 8.664 ( -3.009 1.452 -0.455) 3.371 8.732 ( 1.784 0.765 -1.369) 2.375 8.790 ( 1.705 -1.256 -1.809) 2.785 8.859 ( 5.386 -2.077 -0.842) 5.834 8.942 ( 4.509 -1.907 0.106) 4.897 9.146 ( 1.594 -2.846 1.335) 3.524 9.224 ( 1.739 -1.585 -3.351) 4.094 9.279 ( -3.176 -1.615 3.704) 5.140 9.451 ( -1.689 -0.910 -0.447) 1.970======================= Grid point 12 (9/56) =======================q-point: ( 0.40 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 91Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.545 ( 3.466 7.640 -0.384) 8.398 0.641 ( 3.140 4.314 2.093) 5.732 0.655 ( 3.213 5.901 -6.181) 9.130 0.669 ( -1.540 1.402 0.684) 2.192 0.733 ( -4.260 5.978 -2.531) 7.765 0.788 ( -0.436 2.231 -0.788) 2.406 0.833 ( -0.750 3.042 1.243) 3.371 0.866 ( -1.257 3.323 -2.017) 4.085 0.916 ( 0.564 2.252 1.824) 2.952 0.956 ( -1.320 -0.144 -0.165) 1.338 0.987 ( 0.489 2.117 0.565) 2.245 1.010 ( -0.283 1.255 -0.855) 1.545 1.017 ( 0.160 1.060 -0.799) 1.337 1.069 ( 1.719 1.534 0.805) 2.441 1.099 ( 0.131 0.813 -0.052) 0.825 1.118 ( -0.392 2.332 1.289) 2.693 1.133 ( 1.255 1.514 1.586) 2.527 1.156 ( -0.574 1.177 1.321) 1.860 1.165 ( 0.427 0.830 0.358) 1.000 1.190 ( 1.504 1.914 -1.625) 2.927 1.219 ( 0.960 0.087 0.165) 0.978 1.245 ( -1.686 0.990 -1.050) 2.220 1.262 ( -1.064 2.839 -0.397) 3.058 1.298 ( 0.497 2.263 -0.263) 2.331 1.453 ( -0.041 -2.438 -0.270) 2.454 1.524 ( -0.893 1.874 1.420) 2.515 1.544 ( 0.732 1.483 -0.968) 1.917 1.563 ( 0.865 0.196 -0.103) 0.893 1.609 ( 0.098 1.054 1.681) 1.986 1.632 ( -0.746 0.017 0.745) 1.055 1.649 ( -0.296 0.536 -2.754) 2.821 1.728 ( 0.757 -1.151 1.748) 2.225 1.857 ( 2.240 6.494 -1.773) 7.095 1.908 ( 0.512 3.816 1.029) 3.986 1.960 ( 0.399 3.738 0.333) 3.774 2.040 ( 3.646 5.340 -0.519) 6.487 2.119 ( -3.978 6.066 -0.276) 7.259 2.191 ( -0.528 -0.100 0.659) 0.850 2.231 ( 1.444 5.465 1.675) 5.895 2.292 ( -1.379 0.211 -1.280) 1.894 2.396 ( 2.079 -2.670 -1.326) 3.635 2.438 ( -2.870 -2.108 1.457) 3.847 2.580 ( -0.955 1.286 -0.025) 1.602 2.587 ( -0.210 0.265 0.184) 0.385 2.810 ( -1.677 -3.479 -1.151) 4.030 2.861 ( -0.268 -3.469 -1.063) 3.638 2.933 ( -0.797 0.058 1.244) 1.479 3.006 ( -0.404 -1.815 0.913) 2.072 3.641 ( 1.347 -1.642 0.332) 2.149 3.736 ( -1.100 0.308 -0.543) 1.265 3.889 ( 1.178 1.225 0.853) 1.901 3.923 ( -2.352 1.051 -0.732) 2.678 4.239 ( -0.896 -5.385 -0.435) 5.476 4.344 ( -0.192 -1.207 0.875) 1.503 4.408 ( 1.334 -2.253 0.423) 2.652 4.461 ( 0.590 -5.593 -0.795) 5.680 4.759 ( 2.125 1.527 0.043) 2.618 4.854 ( -3.284 0.825 -0.014) 3.386 5.112 ( 0.476 -0.586 -2.526) 2.636 5.259 ( 1.424 0.685 2.043) 2.583 5.510 ( 0.175 1.604 0.247) 1.633 5.518 ( -0.209 1.654 -0.375) 1.709 5.625 ( 0.116 3.555 0.234) 3.565 5.629 ( -0.080 3.200 -0.085) 3.202 5.845 ( -0.737 1.725 -0.183) 1.885 5.882 ( -0.585 1.757 0.044) 1.852 6.065 ( 1.315 0.965 0.678) 1.767 6.078 ( 0.542 1.158 -0.443) 1.353 6.146 ( 0.051 -0.412 -0.559) 0.696 6.156 ( 0.411 -0.410 0.326) 0.665 6.173 ( -0.481 -0.243 -0.196) 0.573 6.198 ( 0.435 0.363 0.310) 0.646 7.057 ( 6.058 -2.916 -0.047) 6.723 7.193 ( -6.184 -3.724 0.890) 7.274 7.312 ( 0.336 -2.152 -0.674) 2.280 7.319 ( -0.651 -1.853 0.055) 1.965 7.572 ( -0.917 2.605 -0.387) 2.788 7.680 ( -0.791 -0.271 0.749) 1.123 7.727 ( -0.573 1.272 0.102) 1.399 7.740 ( 0.943 0.205 -0.190) 0.983 7.935 ( 3.219 0.778 -1.844) 3.791 8.140 ( -5.085 -0.678 0.988) 5.224 8.297 ( 1.438 -3.454 -0.020) 3.741 8.351 ( 0.636 -2.506 1.374) 2.928 8.422 ( -1.167 2.921 -0.179) 3.151 8.536 ( -0.216 2.771 1.108) 2.992 8.572 ( -1.775 0.133 -1.037) 2.060 8.637 ( -0.687 2.099 1.431) 2.632 8.757 ( 2.059 -1.009 -0.798) 2.428 8.794 ( 0.493 -1.074 -0.954) 1.519 8.932 ( 3.260 -0.976 -0.499) 3.439 8.982 ( 0.839 -0.967 -0.736) 1.477 9.183 ( 0.672 -2.489 0.214) 2.587 9.232 ( 3.004 -1.745 -2.308) 4.171 9.263 ( -3.269 -3.176 3.401) 5.686 9.417 ( -1.214 -1.080 -0.307) 1.654======================= Grid point 15 (10/56) =======================q-point: ( 0.00 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.606 ( 0.000 8.610 0.000) 8.610 0.746 ( 0.000 0.422 0.000) 0.422 0.793 ( 0.000 7.733 0.000) 7.733 0.808 ( 0.000 1.532 0.000) 1.532 0.832 ( 0.000 3.864 0.000) 3.864 0.897 ( 0.000 1.333 0.000) 1.333 0.918 ( 0.000 1.319 0.000) 1.319 0.947 ( 0.000 2.821 0.000) 2.821 0.964 ( 0.000 1.499 0.000) 1.499 0.979 ( 0.000 3.082 0.000) 3.082 0.979 ( 0.000 2.622 0.000) 2.622 1.026 ( 0.000 1.100 0.000) 1.100 1.063 ( 0.000 2.422 0.000) 2.422 1.069 ( 0.000 3.064 0.000) 3.064 1.071 ( 0.000 2.088 0.000) 2.088 1.111 ( 0.000 3.628 0.000) 3.628 1.139 ( 0.000 1.291 0.000) 1.291 1.182 ( 0.000 0.680 0.000) 0.680 1.220 ( 0.000 -0.080 0.000) 0.080 1.230 ( 0.000 3.342 0.000) 3.342 1.263 ( 0.000 2.793 0.000) 2.793 1.281 ( 0.000 3.243 0.000) 3.243 1.299 ( 0.000 -0.279 0.000) 0.279 1.306 ( 0.000 0.264 0.000) 0.264 1.520 ( 0.000 1.672 0.000) 1.672 1.534 ( 0.000 1.264 0.000) 1.264 1.541 ( 0.000 1.080 0.000) 1.080 1.582 ( 0.000 1.494 0.000) 1.494 1.611 ( 0.000 1.777 0.000) 1.777 1.615 ( 0.000 -1.126 0.000) 1.126 1.671 ( 0.000 -1.667 0.000) 1.667 1.678 ( 0.000 1.333 0.000) 1.333 1.816 ( 0.000 0.399 0.000) 0.399 1.935 ( 0.000 -0.349 0.000) 0.349 1.950 ( 0.000 1.665 0.000) 1.665 2.055 ( 0.000 0.142 0.000) 0.142 2.166 ( 0.000 -1.129 0.000) 1.129 2.225 ( 0.000 5.161 0.000) 5.161 2.272 ( 0.000 3.305 0.000) 3.305 2.305 ( 0.000 -2.696 0.000) 2.696 2.472 ( 0.000 2.129 0.000) 2.129 2.478 ( 0.000 1.749 0.000) 1.749 2.672 ( 0.000 3.641 0.000) 3.641 2.679 ( 0.000 3.358 0.000) 3.358 2.858 ( 0.000 -3.965 0.000) 3.965 2.859 ( 0.000 -1.247 0.000) 1.247 2.876 ( 0.000 -2.989 0.000) 2.989 2.939 ( 0.000 -1.795 0.000) 1.795 3.613 ( 0.000 1.613 0.000) 1.613 3.798 ( 0.000 0.576 0.000) 0.576 3.799 ( 0.000 -1.745 0.000) 1.745 4.018 ( 0.000 -3.392 0.000) 3.392 4.212 ( 0.000 -4.793 0.000) 4.793 4.245 ( 0.000 -3.262 0.000) 3.262 4.323 ( 0.000 -3.031 0.000) 3.031 4.334 ( 0.000 -5.893 0.000) 5.893 4.844 ( 0.000 1.384 0.000) 1.384 4.861 ( 0.000 2.800 0.000) 2.800 5.157 ( 0.000 2.026 0.000) 2.026 5.161 ( 0.000 -0.360 0.000) 0.360 5.540 ( 0.000 2.633 0.000) 2.633 5.556 ( 0.000 0.940 0.000) 0.940 5.691 ( 0.000 3.796 0.000) 3.796 5.704 ( 0.000 3.422 0.000) 3.422 5.899 ( 0.000 1.147 0.000) 1.147 5.973 ( 0.000 1.595 0.000) 1.595 5.993 ( 0.000 0.260 0.000) 0.260 6.017 ( 0.000 -0.816 0.000) 0.816 6.150 ( 0.000 -1.040 0.000) 1.040 6.151 ( 0.000 -0.194 0.000) 0.194 6.175 ( 0.000 1.021 0.000) 1.021 6.203 ( 0.000 1.068 0.000) 1.068 7.055 ( 0.000 -0.900 0.000) 0.900 7.171 ( 0.000 -5.590 0.000) 5.590 7.218 ( 0.000 -2.479 0.000) 2.479 7.272 ( 0.000 -4.633 0.000) 4.633 7.662 ( 0.000 3.049 0.000) 3.049 7.725 ( 0.000 3.080 0.000) 3.080 7.739 ( 0.000 3.176 0.000) 3.176 7.823 ( 0.000 1.197 0.000) 1.197 7.926 ( 0.000 -2.580 0.000) 2.580 7.995 ( 0.000 -3.447 0.000) 3.447 8.212 ( 0.000 -0.999 0.000) 0.999 8.336 ( 0.000 -0.406 0.000) 0.406 8.515 ( 0.000 1.966 0.000) 1.966 8.568 ( 0.000 -1.090 0.000) 1.090 8.692 ( 0.000 1.699 0.000) 1.699 8.699 ( 0.000 0.628 0.000) 0.628 8.741 ( 0.000 -1.920 0.000) 1.920 8.771 ( 0.000 -0.933 0.000) 0.933 8.807 ( 0.000 4.326 0.000) 4.326 8.856 ( 0.000 1.105 0.000) 1.105 9.080 ( 0.000 -2.076 0.000) 2.076 9.203 ( 0.000 -1.489 0.000) 1.489 9.270 ( 0.000 0.070 0.000) 0.070 9.435 ( 0.000 -2.462 0.000) 2.462======================= Grid point 16 (11/56) =======================q-point: ( 0.20 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.637 ( 2.957 6.546 -0.095) 7.183 0.721 ( -1.176 2.338 -1.640) 3.088 0.758 ( 0.256 5.525 -2.453) 6.051 0.781 ( 1.507 6.335 -3.910) 7.596 0.851 ( 0.786 3.642 -0.772) 3.805 0.895 ( -0.312 2.065 -0.527) 2.154 0.924 ( -1.758 3.397 0.612) 3.874 0.943 ( -1.442 1.233 0.093) 1.899 0.952 ( -0.157 3.394 1.929) 3.907 0.984 ( -1.295 1.669 2.641) 3.382 0.999 ( 0.893 1.183 -0.490) 1.561 1.035 ( -0.689 0.497 -1.159) 1.437 1.060 ( 1.340 1.517 1.444) 2.486 1.068 ( 0.853 2.567 -0.653) 2.783 1.099 ( 0.875 3.060 1.731) 3.623 1.137 ( 0.678 2.154 1.444) 2.681 1.145 ( 1.024 1.328 -0.867) 1.888 1.173 ( -0.472 0.610 -0.222) 0.802 1.200 ( -0.823 1.419 -0.830) 1.838 1.229 ( -1.335 2.482 1.368) 3.133 1.249 ( 0.822 2.715 -2.206) 3.594 1.283 ( -0.193 0.060 0.536) 0.573 1.294 ( 0.408 2.397 -0.247) 2.444 1.325 ( 1.326 0.559 -0.730) 1.613 1.465 ( -4.503 -0.272 -0.664) 4.560 1.529 ( 1.667 0.737 -0.699) 1.952 1.551 ( 0.150 1.217 2.101) 2.432 1.584 ( -0.091 1.051 -1.230) 1.621 1.614 ( 0.071 1.261 1.741) 2.151 1.648 ( 0.094 0.262 -1.126) 1.160 1.667 ( 0.742 -1.194 -0.334) 1.445 1.676 ( 0.221 -0.125 0.980) 1.012 1.887 ( 3.915 3.082 3.405) 6.035 1.936 ( 1.991 1.590 -1.543) 2.979 1.971 ( -0.007 -0.297 2.707) 2.724 2.059 ( 2.887 0.813 -3.004) 4.245 2.182 ( 0.015 -0.157 2.355) 2.360 2.251 ( 1.019 3.865 1.013) 4.123 2.265 ( 0.494 1.725 -0.174) 1.802 2.300 ( 0.039 -0.438 -1.378) 1.447 2.412 ( -3.878 1.625 0.200) 4.209 2.484 ( -2.036 2.039 0.356) 2.904 2.649 ( -1.661 3.502 -1.003) 4.004 2.660 ( -2.196 2.674 -0.087) 3.461 2.799 ( -1.104 -3.227 -4.258) 5.456 2.850 ( 0.215 -1.657 -2.987) 3.422 2.893 ( -1.123 -2.733 3.086) 4.272 2.950 ( -0.697 -2.491 2.178) 3.381 3.620 ( 0.144 1.502 0.828) 1.721 3.769 ( -2.306 -0.123 0.874) 2.469 3.840 ( 2.778 -1.272 0.259) 3.067 3.979 ( -1.982 -2.499 -2.575) 4.100 4.180 ( -1.855 -4.844 -1.629) 5.436 4.277 ( 0.909 -3.505 2.411) 4.351 4.314 ( -0.771 -3.703 1.158) 3.956 4.351 ( 2.349 -4.151 -1.757) 5.083 4.806 ( -0.443 3.687 -0.278) 3.724 4.914 ( 0.772 0.826 0.638) 1.298 5.116 ( -1.026 -0.468 -1.914) 2.221 5.204 ( 1.346 0.660 2.709) 3.096 5.546 ( 0.218 2.580 0.339) 2.611 5.557 ( -0.074 1.298 -0.016) 1.301 5.687 ( -0.050 3.467 -0.163) 3.472 5.698 ( -0.237 3.299 -0.372) 3.329 5.885 ( -0.637 0.985 -0.476) 1.266 5.944 ( -2.056 1.847 0.734) 2.860 6.038 ( 3.375 -0.549 -0.735) 3.497 6.053 ( 2.748 0.678 0.567) 2.886 6.145 ( -0.269 -0.375 -0.417) 0.622 6.157 ( -0.246 -0.552 0.814) 1.014 6.168 ( -0.361 0.382 -0.195) 0.560 6.202 ( 0.252 1.150 -0.239) 1.201 6.997 ( -3.023 -1.426 -0.034) 3.343 7.185 ( -1.534 -4.034 -0.173) 4.319 7.224 ( 1.038 -5.137 -1.235) 5.385 7.275 ( 0.458 -3.881 0.189) 3.913 7.658 ( -1.320 2.949 0.512) 3.271 7.720 ( -2.333 1.704 1.076) 3.083 7.753 ( 1.254 3.071 -0.438) 3.346 7.775 ( -1.375 1.508 -0.049) 2.041 7.902 ( 0.968 0.616 -0.789) 1.393 8.078 ( 4.414 -4.141 0.576) 6.080 8.232 ( 0.277 -1.467 2.159) 2.625 8.312 ( -1.338 -1.345 -1.527) 2.435 8.497 ( -1.151 1.945 -0.288) 2.278 8.575 ( -1.199 -1.028 0.639) 1.704 8.638 ( -2.075 3.722 0.005) 4.261 8.688 ( -1.215 1.124 0.371) 1.696 8.741 ( 0.312 -0.001 -1.375) 1.410 8.775 ( 0.318 -0.906 -0.391) 1.036 8.849 ( 4.976 1.569 -0.224) 5.222 8.921 ( 3.700 -0.157 1.044) 3.847 9.090 ( 0.833 -2.593 0.547) 2.778 9.199 ( 2.228 -1.100 -3.669) 4.431 9.262 ( -3.341 -0.247 3.398) 4.772 9.417 ( -1.539 -2.223 -0.344) 2.726======================= Grid point 17 (12/56) =======================q-point: ( 0.40 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.677 ( 1.896 5.198 -1.508) 5.735 0.695 ( -0.042 2.572 -0.460) 2.613 0.755 ( 0.443 7.345 0.422) 7.370 0.782 ( 2.497 5.153 -1.108) 5.832 0.834 ( -0.902 3.030 -1.869) 3.673 0.864 ( -2.391 4.540 -1.040) 5.236 0.898 ( -0.079 3.418 1.071) 3.583 0.939 ( -0.040 3.498 0.805) 3.589 0.956 ( -0.790 3.217 -0.480) 3.347 0.983 ( -1.006 2.887 0.495) 3.097 1.005 ( 0.215 0.859 0.282) 0.929 1.025 ( 0.212 0.411 -0.010) 0.462 1.066 ( 0.139 2.991 0.010) 2.994 1.095 ( 1.045 0.979 0.991) 1.742 1.115 ( -0.494 1.438 -0.266) 1.544 1.139 ( -0.259 -0.029 -1.024) 1.056 1.162 ( -0.052 1.378 2.121) 2.530 1.182 ( -0.109 0.908 -0.624) 1.107 1.183 ( 0.284 1.064 0.658) 1.283 1.228 ( 0.730 1.249 -0.456) 1.517 1.236 ( -0.951 1.753 0.358) 2.026 1.265 ( 0.068 1.914 -1.988) 2.760 1.311 ( -0.544 2.027 0.165) 2.106 1.334 ( 1.020 1.252 0.162) 1.623 1.416 ( -0.369 -0.859 -0.310) 0.984 1.550 ( 1.525 0.731 -0.750) 1.850 1.569 ( -0.957 0.147 1.147) 1.501 1.582 ( 0.493 1.896 0.415) 2.003 1.619 ( 0.437 0.288 -1.704) 1.783 1.642 ( -1.006 0.253 2.215) 2.446 1.656 ( 0.471 0.443 -1.476) 1.611 1.700 ( -0.089 -1.318 1.237) 1.809 1.957 ( 2.500 3.008 -1.597) 4.224 1.967 ( 0.094 1.485 1.812) 2.345 2.014 ( 0.758 1.663 2.145) 2.818 2.096 ( 3.766 -0.087 0.040) 3.767 2.186 ( -1.135 1.608 -1.496) 2.472 2.252 ( -0.429 5.170 -0.543) 5.217 2.289 ( 0.755 -0.464 0.863) 1.237 2.323 ( 3.038 2.795 1.726) 4.475 2.370 ( -1.171 0.570 0.454) 1.379 2.420 ( -4.851 1.220 -0.010) 5.002 2.596 ( -1.820 1.065 -1.626) 2.663 2.620 ( -1.237 2.359 -0.579) 2.726 2.737 ( -1.079 -4.066 -1.634) 4.513 2.826 ( 0.111 0.593 -1.201) 1.344 2.905 ( -0.471 -2.807 1.251) 3.109 2.959 ( -0.278 -3.142 0.778) 3.249 3.636 ( 0.422 1.075 0.661) 1.331 3.739 ( -1.124 -0.075 -0.441) 1.210 3.890 ( 1.353 -1.141 1.259) 2.172 3.922 ( -1.091 -1.150 -1.574) 2.234 4.133 ( -1.039 -5.090 -0.961) 5.283 4.292 ( -0.527 -3.808 0.693) 3.906 4.347 ( 1.438 -3.859 0.949) 4.227 4.362 ( 0.505 -3.626 -0.465) 3.690 4.823 ( 2.254 4.064 -0.066) 4.648 4.887 ( -3.408 2.242 0.242) 4.087 5.089 ( 0.634 -1.516 -1.945) 2.546 5.259 ( 0.707 -0.736 2.169) 2.397 5.550 ( -0.057 2.193 0.108) 2.196 5.552 ( -0.105 1.931 -0.281) 1.954 5.690 ( 0.232 3.013 0.170) 3.027 5.693 ( -0.037 3.308 -0.030) 3.308 5.873 ( -0.222 1.148 -0.247) 1.196 5.927 ( -0.649 2.709 0.260) 2.798 6.075 ( 1.402 -0.486 -0.293) 1.513 6.096 ( 1.354 0.985 0.164) 1.682 6.138 ( -0.020 -0.910 -0.201) 0.932 6.146 ( -0.561 0.491 -0.338) 0.819 6.169 ( -0.265 -0.372 0.530) 0.699 6.209 ( 0.488 0.774 -0.029) 0.915 6.997 ( 3.069 -3.264 -0.191) 4.484 7.109 ( -6.073 -4.518 0.227) 7.573 7.217 ( -0.043 -5.331 -0.523) 5.356 7.284 ( 0.136 -3.326 0.151) 3.332 7.648 ( -0.161 4.691 0.058) 4.694 7.697 ( -0.689 2.000 0.379) 2.149 7.748 ( -0.286 1.304 -0.116) 1.340 7.772 ( -0.029 2.218 -0.347) 2.245 7.953 ( 4.047 1.132 -0.761) 4.270 8.108 ( -2.273 -2.049 1.765) 3.533 8.240 ( 0.497 -2.533 -1.411) 2.941 8.300 ( 0.224 -2.643 0.959) 2.821 8.475 ( -0.694 2.516 -0.312) 2.628 8.551 ( -1.063 -0.326 0.174) 1.125 8.621 ( -0.506 3.668 -0.089) 3.704 8.681 ( -0.717 2.431 1.045) 2.741 8.745 ( 1.115 -0.407 -0.728) 1.392 8.776 ( 0.319 -1.200 -0.395) 1.303 8.918 ( 2.755 0.036 -0.269) 2.768 8.970 ( 0.922 -0.023 0.194) 0.942 9.116 ( 0.885 -3.944 0.577) 4.083 9.200 ( 3.240 -0.663 -3.820) 5.052 9.238 ( -4.021 -0.525 3.633) 5.444 9.386 ( -1.125 -1.852 -0.262) 2.182======================= Grid point 20 (13/56) =======================q-point: ( 0.00 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.752 ( 0.000 6.305 0.000) 6.305 0.765 ( 0.000 2.301 0.000) 2.301 0.844 ( 0.000 2.005 0.000) 2.005 0.882 ( 0.000 1.625 0.000) 1.625 0.904 ( 0.000 2.749 0.000) 2.749 0.926 ( 0.000 2.006 0.000) 2.006 0.956 ( 0.000 0.095 0.000) 0.095 0.969 ( 0.000 3.983 0.000) 3.983 0.991 ( 0.000 1.405 0.000) 1.405 1.033 ( 0.000 1.465 0.000) 1.465 1.045 ( 0.000 2.109 0.000) 2.109 1.053 ( 0.000 2.760 0.000) 2.760 1.100 ( 0.000 0.998 0.000) 0.998 1.110 ( 0.000 1.913 0.000) 1.913 1.118 ( 0.000 1.664 0.000) 1.664 1.157 ( 0.000 0.935 0.000) 0.935 1.164 ( 0.000 1.552 0.000) 1.552 1.201 ( 0.000 0.662 0.000) 0.662 1.212 ( 0.000 1.104 0.000) 1.104 1.287 ( 0.000 1.002 0.000) 1.002 1.292 ( 0.000 1.555 0.000) 1.555 1.304 ( 0.000 0.409 0.000) 0.409 1.312 ( 0.000 1.007 0.000) 1.007 1.355 ( 0.000 3.380 0.000) 3.380 1.527 ( 0.000 -0.699 0.000) 0.699 1.544 ( 0.000 -0.807 0.000) 0.807 1.585 ( 0.000 2.668 0.000) 2.668 1.593 ( 0.000 -0.990 0.000) 0.990 1.620 ( 0.000 1.436 0.000) 1.436 1.634 ( 0.000 0.302 0.000) 0.302 1.638 ( 0.000 -0.933 0.000) 0.933 1.693 ( 0.000 0.106 0.000) 0.106 1.835 ( 0.000 1.648 0.000) 1.648 1.926 ( 0.000 -0.010 0.000) 0.010 1.962 ( 0.000 -0.179 0.000) 0.179 2.055 ( 0.000 0.262 0.000) 0.262 2.092 ( 0.000 -5.646 0.000) 5.646 2.236 ( 0.000 -3.350 0.000) 3.350 2.328 ( 0.000 3.911 0.000) 3.911 2.339 ( 0.000 3.484 0.000) 3.484 2.517 ( 0.000 2.175 0.000) 2.175 2.521 ( 0.000 2.460 0.000) 2.460 2.702 ( 0.000 -1.870 0.000) 1.870 2.714 ( 0.000 -1.215 0.000) 1.215 2.787 ( 0.000 -3.332 0.000) 3.332 2.831 ( 0.000 -0.127 0.000) 0.127 2.871 ( 0.000 2.950 0.000) 2.950 2.905 ( 0.000 -1.251 0.000) 1.251 3.661 ( 0.000 2.737 0.000) 2.737 3.760 ( 0.000 -1.592 0.000) 1.592 3.802 ( 0.000 -0.433 0.000) 0.433 3.923 ( 0.000 -5.878 0.000) 5.878 4.120 ( 0.000 -4.352 0.000) 4.352 4.187 ( 0.000 -3.196 0.000) 3.196 4.252 ( 0.000 -2.140 0.000) 2.140 4.282 ( 0.000 -1.268 0.000) 1.268 4.876 ( 0.000 1.847 0.000) 1.847 4.915 ( 0.000 2.540 0.000) 2.540 5.152 ( 0.000 -0.403 0.000) 0.403 5.183 ( 0.000 0.732 0.000) 0.732 5.574 ( 0.000 0.959 0.000) 0.959 5.587 ( 0.000 1.990 0.000) 1.990 5.757 ( 0.000 2.736 0.000) 2.736 5.758 ( 0.000 1.947 0.000) 1.947 5.915 ( 0.000 0.139 0.000) 0.139 5.960 ( 0.000 -2.289 0.000) 2.289 5.996 ( 0.000 1.319 0.000) 1.319 6.034 ( 0.000 1.271 0.000) 1.271 6.136 ( 0.000 -0.318 0.000) 0.318 6.147 ( 0.000 -0.050 0.000) 0.050 6.206 ( 0.000 1.951 0.000) 1.951 6.228 ( 0.000 1.325 0.000) 1.325 7.031 ( 0.000 -1.381 0.000) 1.381 7.066 ( 0.000 -4.726 0.000) 4.726 7.166 ( 0.000 -2.673 0.000) 2.673 7.176 ( 0.000 -4.575 0.000) 4.575 7.713 ( 0.000 1.853 0.000) 1.853 7.779 ( 0.000 2.309 0.000) 2.309 7.779 ( 0.000 0.748 0.000) 0.748 7.833 ( 0.000 -0.317 0.000) 0.317 7.907 ( 0.000 0.671 0.000) 0.671 7.975 ( 0.000 1.044 0.000) 1.044 8.195 ( 0.000 -0.533 0.000) 0.533 8.313 ( 0.000 -1.982 0.000) 1.982 8.540 ( 0.000 0.755 0.000) 0.755 8.547 ( 0.000 -0.549 0.000) 0.549 8.694 ( 0.000 -0.516 0.000) 0.516 8.700 ( 0.000 -1.894 0.000) 1.894 8.746 ( 0.000 2.705 0.000) 2.705 8.783 ( 0.000 1.329 0.000) 1.329 8.880 ( 0.000 1.214 0.000) 1.214 8.887 ( 0.000 3.406 0.000) 3.406 9.057 ( 0.000 0.026 0.000) 0.026 9.173 ( 0.000 -1.589 0.000) 1.589 9.281 ( 0.000 0.883 0.000) 0.883 9.385 ( 0.000 -2.385 0.000) 2.385======================= Grid point 21 (14/56) =======================q-point: ( 0.20 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 91Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.748 ( 1.632 4.901 -0.044) 5.166 0.785 ( -2.519 3.718 0.131) 4.493 0.825 ( 0.693 3.189 1.211) 3.481 0.881 ( 1.216 1.695 -1.394) 2.509 0.918 ( -1.412 2.916 -2.311) 3.980 0.927 ( 0.153 1.279 1.115) 1.704 0.957 ( -1.719 0.971 0.654) 2.080 0.972 ( 1.599 0.681 2.293) 2.877 0.982 ( 0.314 3.184 -0.112) 3.201 1.034 ( -0.868 1.987 0.027) 2.168 1.043 ( -0.623 1.270 1.166) 1.833 1.056 ( -0.149 2.558 -0.097) 2.565 1.098 ( 0.368 0.809 -1.236) 1.523 1.105 ( 0.327 2.366 1.199) 2.672 1.144 ( 0.281 1.406 1.109) 1.812 1.156 ( 0.528 0.460 -1.424) 1.587 1.175 ( 0.499 1.143 0.920) 1.550 1.193 ( -1.218 0.887 1.074) 1.850 1.215 ( 0.275 2.334 0.043) 2.350 1.266 ( -0.943 -0.448 0.324) 1.093 1.288 ( -1.497 2.247 -0.918) 2.852 1.317 ( 1.087 1.321 -0.322) 1.740 1.325 ( 1.623 1.548 -0.398) 2.278 1.349 ( 0.083 2.694 -0.207) 2.703 1.473 ( -3.470 1.027 -2.408) 4.346 1.540 ( 0.600 0.113 -0.376) 0.717 1.567 ( 0.713 -0.303 1.962) 2.109 1.591 ( -0.759 0.014 -2.088) 2.222 1.625 ( -1.917 -0.242 1.234) 2.293 1.631 ( 0.429 -0.930 -1.350) 1.695 1.660 ( 1.165 0.100 1.771) 2.122 1.677 ( 0.994 0.062 -0.693) 1.213 1.919 ( 1.630 -0.536 3.469) 3.870 1.954 ( 0.467 -0.789 2.088) 2.280 1.958 ( 3.048 1.001 -0.821) 3.312 2.052 ( 2.779 -1.469 -3.009) 4.351 2.152 ( 2.459 -1.836 3.991) 5.034 2.222 ( 0.879 -2.487 -2.341) 3.527 2.330 ( 0.784 3.749 -0.036) 3.831 2.359 ( 0.715 2.856 -0.596) 3.004 2.455 ( -4.381 2.639 0.503) 5.139 2.520 ( -2.592 0.999 0.585) 2.838 2.659 ( -1.306 -2.267 -2.451) 3.585 2.710 ( -1.166 0.644 -0.722) 1.515 2.757 ( -1.321 -1.077 -3.123) 3.558 2.842 ( -0.888 -1.277 2.113) 2.624 2.862 ( 0.418 3.006 -0.557) 3.086 2.898 ( -1.290 -2.260 0.769) 2.713 3.665 ( -0.301 2.638 0.731) 2.753 3.759 ( -2.083 -0.771 1.896) 2.921 3.807 ( 2.587 -1.786 -1.571) 3.514 3.905 ( -0.361 -4.694 -1.783) 5.034 4.091 ( -1.713 -3.993 -1.404) 4.566 4.194 ( -0.331 -4.588 1.171) 4.747 4.261 ( 0.674 -1.331 1.138) 1.876 4.304 ( 1.563 -1.134 0.186) 1.940 4.872 ( 0.373 2.965 -0.013) 2.988 4.935 ( 0.922 1.231 0.287) 1.565 5.112 ( -2.338 0.106 -1.433) 2.744 5.204 ( 0.129 -0.514 2.266) 2.327 5.579 ( 0.138 1.015 0.323) 1.074 5.591 ( 0.223 1.839 0.050) 1.853 5.745 ( -0.500 2.045 -0.589) 2.186 5.755 ( -0.040 2.699 -0.219) 2.708 5.900 ( -0.053 0.586 -1.127) 1.272 5.969 ( -0.881 0.258 2.200) 2.384 6.015 ( 3.247 -0.386 -1.838) 3.751 6.072 ( 2.533 0.581 0.889) 2.747 6.139 ( -0.578 -0.071 -0.253) 0.635 6.144 ( -0.079 -0.413 1.335) 1.400 6.193 ( -0.742 1.778 -0.881) 2.119 6.227 ( 0.233 1.279 -0.493) 1.390 6.967 ( -3.170 -1.340 -0.548) 3.485 7.082 ( -1.299 -5.309 -0.255) 5.472 7.151 ( -1.102 -2.923 -0.571) 3.176 7.188 ( 0.298 -4.502 1.023) 4.627 7.708 ( -0.250 2.139 0.760) 2.284 7.757 ( -1.300 2.004 0.069) 2.390 7.803 ( -0.338 1.176 0.448) 1.303 7.808 ( 0.761 2.154 -0.544) 2.348 7.937 ( 1.335 2.340 -0.880) 2.834 8.016 ( 4.844 -2.126 0.122) 5.292 8.208 ( -0.205 -0.940 1.679) 1.935 8.278 ( -1.810 -2.023 -2.056) 3.405 8.526 ( -0.544 1.142 -0.129) 1.271 8.558 ( -0.608 -0.627 0.643) 1.084 8.691 ( -0.352 0.708 -0.099) 0.796 8.704 ( -0.610 -0.060 1.879) 1.977 8.738 ( 0.552 0.846 -0.681) 1.218 8.769 ( -0.832 0.903 -1.037) 1.607 8.898 ( 2.569 2.579 -0.138) 3.643 8.929 ( 2.858 0.789 0.401) 2.992 9.060 ( 0.285 -0.235 0.021) 0.371 9.175 ( 1.784 -1.364 -2.011) 3.015 9.266 ( -2.855 0.522 1.691) 3.359 9.374 ( -1.274 -2.082 0.085) 2.442======================= Grid point 22 (15/56) =======================q-point: ( 0.40 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 91Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.750 ( -0.087 3.338 -0.520) 3.379 0.768 ( -0.619 3.871 -0.304) 3.932 0.850 ( 0.861 2.182 -0.340) 2.370 0.876 ( 1.007 2.416 -1.196) 2.878 0.890 ( -0.097 2.580 0.741) 2.687 0.907 ( -3.094 3.018 1.231) 4.494 0.946 ( 0.206 1.405 0.066) 1.422 1.000 ( 0.957 1.043 -1.092) 1.788 1.012 ( 0.618 1.963 0.671) 2.165 1.028 ( -0.716 1.464 0.618) 1.743 1.048 ( -0.510 2.344 0.897) 2.561 1.055 ( -0.010 3.847 0.370) 3.864 1.098 ( 0.539 -0.707 1.161) 1.462 1.121 ( 0.464 2.137 0.890) 2.361 1.136 ( 0.116 0.341 -2.173) 2.203 1.152 ( -0.910 1.360 0.216) 1.651 1.175 ( -0.575 -0.573 -0.849) 1.175 1.189 ( -0.231 1.083 0.640) 1.279 1.221 ( -0.125 3.007 0.538) 3.058 1.261 ( 0.156 1.901 -0.607) 2.001 1.266 ( -0.530 1.696 0.713) 1.915 1.310 ( 0.245 2.182 -1.155) 2.481 1.335 ( -0.200 0.538 0.940) 1.102 1.358 ( 0.090 1.811 -0.673) 1.934 1.435 ( 0.915 2.505 -0.701) 2.758 1.550 ( 0.079 -1.268 0.116) 1.276 1.564 ( 0.219 0.146 -0.979) 1.014 1.594 ( -0.547 -0.984 1.141) 1.603 1.618 ( 0.320 -0.290 -1.319) 1.388 1.631 ( 0.938 -1.475 1.614) 2.379 1.670 ( 0.783 0.974 -0.981) 1.589 1.694 ( -1.079 0.704 1.197) 1.759 1.956 ( 0.100 -1.913 1.807) 2.634 1.968 ( 1.238 -1.312 -0.542) 1.884 2.028 ( 0.104 -0.458 3.009) 3.045 2.065 ( 2.238 -2.096 -2.503) 3.958 2.217 ( 2.229 0.996 -1.531) 2.882 2.263 ( 3.338 -1.672 2.798) 4.665 2.321 ( -1.315 1.629 -1.688) 2.689 2.351 ( 0.226 1.222 0.477) 1.331 2.402 ( -2.511 1.900 -0.325) 3.166 2.472 ( -2.498 2.355 0.653) 3.494 2.615 ( -0.131 -0.176 -1.955) 1.967 2.665 ( -1.951 0.752 -0.834) 2.251 2.696 ( -1.440 2.015 -1.398) 2.844 2.853 ( -0.076 -0.769 0.942) 1.218 2.865 ( -0.044 1.893 -0.135) 1.898 2.888 ( -0.407 -3.412 0.435) 3.463 3.671 ( 0.014 2.208 0.853) 2.367 3.731 ( -1.124 -0.723 -0.813) 1.564 3.850 ( 1.287 -2.764 1.612) 3.449 3.880 ( 0.010 -2.896 -1.739) 3.378 4.048 ( -1.006 -3.485 -0.881) 3.733 4.200 ( -0.258 -5.378 0.601) 5.418 4.292 ( 1.030 -1.328 0.653) 1.803 4.322 ( 0.188 -0.808 0.065) 0.832 4.893 ( 1.771 2.779 0.093) 3.297 4.931 ( -1.688 2.057 0.189) 2.667 5.065 ( -0.618 -0.515 -1.291) 1.521 5.233 ( 0.003 -1.853 1.685) 2.504 5.579 ( -0.156 1.101 -0.103) 1.117 5.592 ( 0.069 1.540 -0.142) 1.548 5.742 ( 0.092 2.378 0.650) 2.467 5.753 ( 0.079 2.809 -0.476) 2.850 5.891 ( 0.138 0.830 -0.622) 1.047 5.980 ( -0.231 2.625 1.022) 2.827 6.046 ( 1.763 -2.100 -0.851) 2.871 6.110 ( 0.696 0.237 0.068) 0.739 6.130 ( 0.007 0.040 0.089) 0.098 6.158 ( -0.100 -0.480 0.884) 1.011 6.170 ( -0.515 1.735 -0.597) 1.906 6.226 ( 0.256 0.878 -0.391) 0.995 6.938 ( 0.303 -2.466 -0.323) 2.506 7.027 ( -3.417 -3.770 0.085) 5.089 7.128 ( -0.527 -3.592 -0.447) 3.658 7.200 ( 0.015 -4.718 0.528) 4.747 7.734 ( 1.939 3.409 0.321) 3.936 7.745 ( -0.557 2.948 0.871) 3.124 7.783 ( -1.643 2.144 -1.321) 3.007 7.809 ( 0.164 1.463 0.107) 1.476 7.978 ( 3.102 1.296 -0.267) 3.373 8.073 ( 0.220 -1.502 0.960) 1.796 8.198 ( -0.583 -1.720 -1.466) 2.334 8.250 ( -0.293 -2.447 0.770) 2.582 8.518 ( -0.150 1.813 -0.171) 1.827 8.544 ( -0.841 -0.242 0.088) 0.879 8.683 ( -0.338 2.104 0.035) 2.132 8.721 ( -0.489 0.439 1.817) 1.932 8.745 ( 0.340 -0.007 -1.510) 1.547 8.746 ( 0.426 0.284 -0.066) 0.516 8.938 ( 1.605 1.645 -0.181) 2.306 8.972 ( 1.264 -0.007 0.264) 1.291 9.065 ( 0.222 -0.828 -0.001) 0.858 9.192 ( 3.679 -0.908 -3.018) 4.844 9.228 ( -4.327 -0.056 2.795) 5.152 9.352 ( -0.949 -1.579 0.048) 1.843======================= Grid point 25 (16/56) =======================q-point: ( 0.00 0.42 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.839 ( 0.000 4.458 0.000) 4.458 0.847 ( 0.000 3.283 0.000) 3.283 0.876 ( 0.000 1.124 0.000) 1.124 0.899 ( 0.000 0.663 0.000) 0.663 0.942 ( 0.000 1.701 0.000) 1.701 0.959 ( 0.000 0.183 0.000) 0.183 0.961 ( 0.000 1.097 0.000) 1.097 1.008 ( 0.000 -0.084 0.000) 0.084 1.037 ( 0.000 2.311 0.000) 2.311 1.057 ( 0.000 1.362 0.000) 1.362 1.063 ( 0.000 0.898 0.000) 0.898 1.103 ( 0.000 -0.864 0.000) 0.864 1.119 ( 0.000 2.954 0.000) 2.954 1.123 ( 0.000 0.090 0.000) 0.090 1.141 ( 0.000 1.247 0.000) 1.247 1.177 ( 0.000 0.289 0.000) 0.289 1.190 ( 0.000 2.441 0.000) 2.441 1.215 ( 0.000 0.492 0.000) 0.492 1.260 ( 0.000 3.207 0.000) 3.207 1.275 ( 0.000 -1.183 0.000) 1.183 1.295 ( 0.000 -1.378 0.000) 1.378 1.339 ( 0.000 1.690 0.000) 1.690 1.350 ( 0.000 2.911 0.000) 2.911 1.409 ( 0.000 1.965 0.000) 1.965 1.504 ( 0.000 -1.446 0.000) 1.446 1.507 ( 0.000 -2.216 0.000) 2.216 1.565 ( 0.000 -1.841 0.000) 1.841 1.582 ( 0.000 -4.242 0.000) 4.242 1.625 ( 0.000 0.396 0.000) 0.396 1.634 ( 0.000 1.220 0.000) 1.220 1.661 ( 0.000 1.908 0.000) 1.908 1.701 ( 0.000 0.487 0.000) 0.487 1.864 ( 0.000 0.952 0.000) 0.952 1.932 ( 0.000 -0.587 0.000) 0.587 1.966 ( 0.000 0.795 0.000) 0.795 1.987 ( 0.000 -3.460 0.000) 3.460 2.069 ( 0.000 1.247 0.000) 1.247 2.165 ( 0.000 -3.603 0.000) 3.603 2.386 ( 0.000 1.944 0.000) 1.944 2.394 ( 0.000 1.857 0.000) 1.857 2.543 ( 0.000 0.330 0.000) 0.330 2.553 ( 0.000 0.192 0.000) 0.192 2.642 ( 0.000 -3.058 0.000) 3.058 2.647 ( 0.000 -3.629 0.000) 3.629 2.749 ( 0.000 -0.100 0.000) 0.100 2.813 ( 0.000 -2.137 0.000) 2.137 2.929 ( 0.000 2.914 0.000) 2.914 2.940 ( 0.000 3.035 0.000) 3.035 3.698 ( 0.000 1.297 0.000) 1.297 3.754 ( 0.000 0.543 0.000) 0.543 3.782 ( 0.000 -1.353 0.000) 1.353 3.813 ( 0.000 -4.953 0.000) 4.953 4.061 ( 0.000 -1.268 0.000) 1.268 4.121 ( 0.000 -3.182 0.000) 3.182 4.241 ( 0.000 0.438 0.000) 0.438 4.266 ( 0.000 -0.590 0.000) 0.590 4.913 ( 0.000 1.907 0.000) 1.907 4.949 ( 0.000 0.758 0.000) 0.758 5.153 ( 0.000 0.640 0.000) 0.640 5.187 ( 0.000 -0.317 0.000) 0.317 5.595 ( 0.000 1.145 0.000) 1.145 5.613 ( 0.000 0.683 0.000) 0.683 5.780 ( 0.000 0.471 0.000) 0.471 5.788 ( 0.000 0.494 0.000) 0.494 5.906 ( 0.000 -0.613 0.000) 0.613 5.921 ( 0.000 -1.598 0.000) 1.598 6.029 ( 0.000 1.703 0.000) 1.703 6.052 ( 0.000 0.515 0.000) 0.515 6.139 ( 0.000 0.571 0.000) 0.571 6.151 ( 0.000 0.319 0.000) 0.319 6.238 ( 0.000 1.123 0.000) 1.123 6.248 ( 0.000 0.594 0.000) 0.594 7.000 ( 0.000 -1.906 0.000) 1.906 7.006 ( 0.000 -1.175 0.000) 1.175 7.110 ( 0.000 -2.091 0.000) 2.091 7.120 ( 0.000 -1.969 0.000) 1.969 7.738 ( 0.000 1.002 0.000) 1.002 7.775 ( 0.000 -0.813 0.000) 0.813 7.809 ( 0.000 0.897 0.000) 0.897 7.825 ( 0.000 -0.306 0.000) 0.306 7.941 ( 0.000 2.286 0.000) 2.286 7.995 ( 0.000 0.323 0.000) 0.323 8.197 ( 0.000 0.814 0.000) 0.814 8.267 ( 0.000 -2.440 0.000) 2.440 8.548 ( 0.000 0.403 0.000) 0.403 8.550 ( 0.000 0.364 0.000) 0.364 8.671 ( 0.000 -1.028 0.000) 1.028 8.676 ( 0.000 -1.055 0.000) 1.055 8.792 ( 0.000 1.849 0.000) 1.849 8.807 ( 0.000 0.901 0.000) 0.901 8.903 ( 0.000 1.242 0.000) 1.242 8.929 ( 0.000 0.898 0.000) 0.898 9.079 ( 0.000 1.879 0.000) 1.879 9.144 ( 0.000 -1.364 0.000) 1.364 9.299 ( 0.000 0.964 0.000) 0.964 9.346 ( 0.000 -1.684 0.000) 1.684======================= Grid point 26 (17/56) =======================q-point: ( 0.20 0.42 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.832 ( 0.570 3.455 0.089) 3.503 0.844 ( -2.686 2.170 0.124) 3.455 0.880 ( 0.178 2.031 1.246) 2.389 0.894 ( 0.388 0.329 -0.106) 0.519 0.935 ( -2.381 0.265 -1.187) 2.674 0.943 ( 0.868 0.332 -0.975) 1.346 0.981 ( 0.116 0.641 1.000) 1.194 0.991 ( -0.464 0.689 0.568) 1.007 1.035 ( -0.530 1.622 -0.496) 1.777 1.056 ( 0.878 0.840 0.245) 1.239 1.073 ( -1.013 0.697 0.337) 1.275 1.085 ( -0.369 0.212 -0.415) 0.594 1.120 ( 0.880 2.329 -0.419) 2.525 1.138 ( 0.764 1.465 0.284) 1.677 1.160 ( 1.188 0.663 -0.563) 1.472 1.176 ( -0.276 1.236 0.269) 1.294 1.189 ( -0.823 1.298 0.479) 1.610 1.210 ( -0.059 0.507 -0.269) 0.577 1.255 ( -0.563 -0.546 0.181) 0.805 1.272 ( -0.062 1.800 1.675) 2.459 1.308 ( 0.164 -0.652 1.320) 1.482 1.333 ( -0.826 2.408 -0.871) 2.691 1.356 ( 0.177 1.666 0.604) 1.781 1.408 ( 0.583 1.795 -0.844) 2.068 1.483 ( -0.999 -0.411 -0.419) 1.159 1.529 ( 0.484 -1.677 1.572) 2.349 1.555 ( -1.575 1.112 -1.635) 2.528 1.587 ( 0.273 -0.935 0.806) 1.265 1.590 ( -1.300 -2.487 0.034) 2.806 1.630 ( -0.827 -0.576 -1.240) 1.598 1.666 ( 0.522 1.022 0.877) 1.444 1.684 ( 1.152 0.682 0.147) 1.347 1.897 ( 0.493 -1.083 1.303) 1.765 1.923 ( -0.303 -2.144 -0.603) 2.247 1.976 ( 1.635 0.645 1.365) 2.226 2.016 ( 0.819 -1.605 0.919) 2.023 2.143 ( 5.628 0.687 1.132) 5.782 2.183 ( 3.598 -1.448 -1.948) 4.340 2.384 ( 0.035 1.513 -0.451) 1.579 2.394 ( 0.114 0.944 -2.043) 2.254 2.490 ( -4.123 0.548 -0.193) 4.163 2.511 ( -3.619 -1.412 -0.258) 3.893 2.619 ( 0.609 -1.323 -2.218) 2.653 2.665 ( 0.964 -3.290 -1.592) 3.780 2.757 ( -0.444 0.909 1.501) 1.810 2.817 ( -0.077 -1.854 0.952) 2.085 2.911 ( -2.333 2.897 0.603) 3.768 2.928 ( -1.343 2.715 0.307) 3.045 3.706 ( 0.027 1.431 0.390) 1.483 3.747 ( -1.436 -0.420 1.034) 1.819 3.777 ( 1.072 -1.131 -1.755) 2.347 3.814 ( 0.570 -4.114 -0.394) 4.172 4.039 ( -1.515 -1.013 -0.799) 1.990 4.111 ( -1.215 -3.749 0.569) 3.982 4.258 ( 1.504 0.645 0.409) 1.687 4.290 ( 1.661 -0.608 0.518) 1.843 4.918 ( 0.347 1.830 0.316) 1.889 4.953 ( 0.358 0.339 -0.171) 0.522 5.125 ( -2.254 1.280 -0.620) 2.665 5.187 ( -0.722 -1.252 1.090) 1.810 5.597 ( 0.222 0.822 -0.189) 0.873 5.613 ( 0.211 0.408 -0.636) 0.784 5.772 ( -0.591 1.044 0.533) 1.313 5.791 ( -0.125 0.831 0.675) 1.078 5.909 ( 0.993 0.382 -1.015) 1.471 5.948 ( 1.730 -1.615 1.089) 2.605 6.036 ( 1.316 1.673 -1.125) 2.407 6.075 ( 1.912 -0.253 0.343) 1.959 6.142 ( -0.526 0.286 0.422) 0.732 6.144 ( -0.344 0.256 0.322) 0.537 6.225 ( -0.784 1.350 -0.571) 1.662 6.246 ( -0.087 0.481 -0.375) 0.616 6.953 ( -2.926 -0.049 -0.278) 2.939 7.001 ( -1.927 -2.891 0.021) 3.474 7.103 ( -1.114 -1.925 -0.142) 2.229 7.116 ( -0.414 -2.660 0.628) 2.764 7.746 ( 1.386 1.974 0.168) 2.418 7.791 ( 0.534 1.185 0.328) 1.340 7.816 ( 0.439 0.112 -0.153) 0.478 7.828 ( 0.824 0.009 -0.162) 0.840 7.975 ( 1.279 1.384 -0.440) 1.935 7.996 ( 2.950 -0.229 -0.034) 2.959 8.199 ( -0.908 0.054 0.927) 1.299 8.239 ( -1.926 -1.884 -1.188) 2.945 8.543 ( -0.214 0.606 -0.123) 0.654 8.552 ( -0.218 -0.011 0.300) 0.371 8.681 ( 0.646 -0.900 -0.208) 1.127 8.683 ( 0.591 -1.154 0.644) 1.447 8.778 ( -0.988 2.038 -0.099) 2.267 8.793 ( -1.031 1.093 0.022) 1.503 8.930 ( 2.460 1.030 -0.057) 2.668 8.950 ( 1.834 0.826 -0.001) 2.011 9.078 ( -0.041 1.700 -0.132) 1.706 9.146 ( 0.570 -1.589 -0.404) 1.736 9.281 ( -1.997 1.074 0.162) 2.274 9.337 ( -1.089 -1.706 0.290) 2.044======================= Grid point 27 (18/56) =======================q-point: ( 0.40 0.42 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.810 ( -0.573 2.648 0.196) 2.716 0.836 ( -1.331 3.275 -0.750) 3.613 0.870 ( -1.034 -0.215 0.230) 1.080 0.894 ( 1.144 0.681 -1.062) 1.703 0.907 ( -0.855 0.307 1.132) 1.451 0.945 ( 0.326 -1.242 -0.418) 1.350 0.983 ( -0.038 2.634 1.174) 2.884 1.007 ( 0.204 0.233 0.529) 0.613 1.031 ( -0.181 0.523 -0.304) 0.631 1.049 ( -1.281 0.267 0.012) 1.309 1.070 ( 0.240 -1.396 0.726) 1.592 1.079 ( -0.141 0.083 0.065) 0.176 1.119 ( -0.139 2.227 -0.514) 2.289 1.148 ( -0.124 -0.134 -0.603) 0.630 1.153 ( 0.345 1.729 -0.640) 1.876 1.170 ( -0.480 2.436 -0.552) 2.543 1.190 ( 0.239 1.407 0.781) 1.627 1.206 ( -0.027 0.623 -0.664) 0.911 1.260 ( 0.311 0.702 0.804) 1.112 1.277 ( -0.749 -0.088 0.160) 0.771 1.310 ( -0.210 1.485 0.031) 1.500 1.335 ( 0.835 0.405 -0.341) 0.988 1.369 ( 0.524 3.298 2.224) 4.012 1.406 ( -0.379 2.315 -1.228) 2.648 1.478 ( 0.814 1.397 -0.832) 1.818 1.522 ( -0.170 -0.635 1.560) 1.693 1.557 ( -0.846 -2.116 -0.597) 2.356 1.583 ( -0.489 0.530 0.158) 0.738 1.599 ( 1.396 -1.182 0.302) 1.854 1.606 ( 0.524 -0.829 -0.575) 1.137 1.679 ( 0.124 0.189 -0.606) 0.646 1.708 ( -0.617 0.074 1.559) 1.678 1.917 ( 0.578 -1.627 0.882) 1.939 1.930 ( 0.507 -2.202 0.508) 2.316 2.011 ( 0.015 -0.657 1.772) 1.890 2.030 ( 0.924 -1.470 -1.397) 2.229 2.225 ( 2.399 -0.125 -0.954) 2.585 2.228 ( 2.609 -1.438 -0.296) 2.993 2.348 ( -1.106 1.549 -1.037) 2.168 2.377 ( -0.151 1.231 -0.575) 1.367 2.421 ( -2.660 0.020 -1.044) 2.858 2.474 ( -0.947 -2.206 0.924) 2.572 2.609 ( 0.576 0.181 -1.166) 1.313 2.645 ( -0.639 -1.601 -1.029) 2.007 2.769 ( 0.144 3.597 1.089) 3.761 2.837 ( 0.363 -1.336 0.362) 1.432 2.877 ( -0.881 2.534 0.209) 2.691 2.907 ( -1.737 1.431 0.522) 2.310 3.706 ( -0.171 0.832 0.390) 0.934 3.724 ( -0.797 0.683 -0.850) 1.351 3.789 ( 0.552 -3.214 0.270) 3.272 3.820 ( 0.469 -2.997 -0.279) 3.046 4.008 ( -0.776 -0.417 -0.435) 0.983 4.101 ( -0.524 -4.476 0.321) 4.518 4.289 ( 1.061 0.697 0.355) 1.319 4.316 ( 0.605 -0.191 0.158) 0.654 4.928 ( 0.259 1.062 0.157) 1.105 4.953 ( 0.018 0.029 -0.330) 0.332 5.084 ( -1.245 2.343 -0.343) 2.676 5.191 ( -0.371 -2.447 0.940) 2.647 5.594 ( -0.125 0.482 -0.298) 0.580 5.607 ( 0.134 0.058 -0.554) 0.573 5.783 ( -0.060 1.784 1.816) 2.546 5.797 ( 0.148 1.468 -0.308) 1.508 5.910 ( 0.508 1.253 -0.857) 1.601 5.990 ( 1.052 -2.320 1.025) 2.746 6.038 ( 0.600 2.061 -1.277) 2.498 6.105 ( 0.996 -0.872 -0.231) 1.344 6.134 ( -0.168 0.368 0.118) 0.421 6.150 ( -0.173 -0.350 0.659) 0.766 6.208 ( -0.508 1.822 -0.079) 1.894 6.238 ( -0.069 0.296 -0.399) 0.501 6.911 ( -1.142 -0.218 -0.332) 1.209 6.965 ( -1.632 -2.566 0.285) 3.055 7.079 ( -0.795 -1.412 -0.292) 1.647 7.118 ( -0.239 -3.448 0.456) 3.486 7.772 ( 0.801 1.326 0.237) 1.567 7.799 ( -0.153 1.033 -0.949) 1.411 7.818 ( 1.037 1.883 -0.035) 2.150 7.840 ( -0.075 1.633 0.843) 1.839 8.001 ( 1.950 1.057 -0.115) 2.221 8.048 ( 1.393 -1.172 0.138) 1.826 8.175 ( -1.043 -0.611 -0.843) 1.474 8.205 ( -1.186 -2.077 0.475) 2.438 8.541 ( 0.181 0.594 -0.120) 0.633 8.548 ( -0.486 0.525 0.127) 0.726 8.688 ( 0.324 -0.755 -0.148) 0.835 8.696 ( 0.157 -1.456 0.349) 1.505 8.769 ( -0.058 1.906 -0.036) 1.907 8.781 ( -0.471 1.470 0.133) 1.550 8.967 ( 1.557 1.061 -0.244) 1.900 8.976 ( 0.731 0.551 0.147) 0.928 9.075 ( -0.017 1.381 -0.087) 1.384 9.156 ( 0.906 -2.399 -0.337) 2.586 9.246 ( -1.757 1.643 0.194) 2.413 9.321 ( -0.818 -1.723 0.175) 1.915======================= Grid point 30 (19/56) =======================q-point: ( 0.00 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 32Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.880 ( 0.000 -0.436 0.000) 0.436 0.880 ( 0.000 0.436 0.000) 0.436 0.899 ( 0.000 -1.096 0.000) 1.096 0.899 ( 0.000 1.096 0.000) 1.096 0.964 ( 0.000 -0.194 0.000) 0.194 0.964 ( 0.000 0.194 0.000) 0.194 0.984 ( 0.000 -2.028 0.000) 2.028 0.984 ( 0.000 2.028 0.000) 2.028 1.064 ( 0.000 -0.782 0.000) 0.782 1.064 ( 0.000 0.782 0.000) 0.782 1.082 ( 0.000 -0.934 0.000) 0.934 1.082 ( 0.000 0.934 0.000) 0.934 1.143 ( 0.000 -0.834 0.000) 0.834 1.143 ( 0.000 0.834 0.000) 0.834 1.169 ( 0.000 -1.415 0.000) 1.415 1.169 ( 0.000 1.415 0.000) 1.415 1.236 ( 0.000 -1.054 0.000) 1.054 1.236 ( 0.000 1.054 0.000) 1.054 1.249 ( 0.000 -1.829 0.000) 1.829 1.249 ( 0.000 1.829 0.000) 1.829 1.336 ( 0.000 -2.927 0.000) 2.927 1.336 ( 0.000 2.927 0.000) 2.927 1.398 ( 0.000 -2.224 0.000) 2.224 1.398 ( 0.000 2.224 0.000) 2.224 1.487 ( 0.000 -0.174 0.000) 0.174 1.487 ( 0.000 0.174 0.000) 0.174 1.533 ( 0.000 -0.536 0.000) 0.536 1.533 ( 0.000 0.536 0.000) 0.536 1.639 ( 0.000 -0.663 0.000) 0.663 1.639 ( 0.000 0.663 0.000) 0.663 1.694 ( 0.000 -1.206 0.000) 1.206 1.694 ( 0.000 1.206 0.000) 1.206 1.887 ( 0.000 -2.022 0.000) 2.022 1.887 ( 0.000 2.022 0.000) 2.022 1.976 ( 0.000 -0.077 0.000) 0.077 1.976 ( 0.000 0.077 0.000) 0.077 2.105 ( 0.000 -2.471 0.000) 2.471 2.105 ( 0.000 2.471 0.000) 2.471 2.407 ( 0.000 -0.368 0.000) 0.368 2.407 ( 0.000 0.368 0.000) 0.368 2.543 ( 0.000 -0.280 0.000) 0.280 2.543 ( 0.000 0.280 0.000) 0.280 2.610 ( 0.000 -0.012 0.000) 0.012 2.610 ( 0.000 0.012 0.000) 0.012 2.772 ( 0.000 -1.890 0.000) 1.890 2.772 ( 0.000 1.890 0.000) 1.890 2.968 ( 0.000 -0.435 0.000) 0.435 2.968 ( 0.000 0.435 0.000) 0.435 3.735 ( 0.000 -2.799 0.000) 2.799 3.735 ( 0.000 2.799 0.000) 2.799 3.764 ( 0.000 -0.613 0.000) 0.613 3.764 ( 0.000 0.614 0.000) 0.614 4.070 ( 0.000 -1.864 0.000) 1.864 4.070 ( 0.000 1.864 0.000) 1.864 4.254 ( 0.000 -0.664 0.000) 0.664 4.254 ( 0.000 0.664 0.000) 0.664 4.944 ( 0.000 -1.119 0.000) 1.119 4.944 ( 0.000 1.119 0.000) 1.119 5.172 ( 0.000 -1.069 0.000) 1.069 5.172 ( 0.000 1.069 0.000) 1.069 5.614 ( 0.000 -0.594 0.000) 0.594 5.614 ( 0.000 0.594 0.000) 0.594 5.787 ( 0.000 -0.366 0.000) 0.366 5.787 ( 0.000 0.366 0.000) 0.366 5.902 ( 0.000 -0.325 0.000) 0.325 5.902 ( 0.000 0.325 0.000) 0.325 6.052 ( 0.000 -0.559 0.000) 0.559 6.052 ( 0.000 0.559 0.000) 0.559 6.151 ( 0.000 -0.396 0.000) 0.396 6.151 ( 0.000 0.396 0.000) 0.396 6.251 ( 0.000 -0.251 0.000) 0.251 6.251 ( 0.000 0.251 0.000) 0.251 6.988 ( 0.000 -0.404 0.000) 0.404 6.988 ( 0.000 0.404 0.000) 0.404 7.095 ( 0.000 -0.438 0.000) 0.438 7.095 ( 0.000 0.438 0.000) 0.438 7.757 ( 0.000 -0.959 0.000) 0.959 7.757 ( 0.000 0.959 0.000) 0.959 7.820 ( 0.000 -0.317 0.000) 0.317 7.820 ( 0.000 0.317 0.000) 0.317 7.981 ( 0.000 -1.606 0.000) 1.606 7.981 ( 0.000 1.606 0.000) 1.606 8.224 ( 0.000 -1.874 0.000) 1.874 8.224 ( 0.000 1.874 0.000) 1.874 8.554 ( 0.000 -0.057 0.000) 0.057 8.554 ( 0.000 0.057 0.000) 0.057 8.662 ( 0.000 -0.200 0.000) 0.200 8.662 ( 0.000 0.200 0.000) 0.200 8.813 ( 0.000 -0.312 0.000) 0.312 8.813 ( 0.000 0.312 0.000) 0.312 8.926 ( 0.000 -0.944 0.000) 0.944 8.926 ( 0.000 0.944 0.000) 0.944 9.116 ( 0.000 -1.691 0.000) 1.691 9.116 ( 0.000 1.691 0.000) 1.691 9.319 ( 0.000 -1.116 0.000) 1.116 9.319 ( 0.000 1.116 0.000) 1.116======================= Grid point 32 (20/56) =======================q-point: ( 0.20 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 53Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.866 ( -1.222 -0.161 0.146) 1.241 0.866 ( -1.222 0.161 0.146) 1.241 0.898 ( -0.330 -0.205 0.030) 0.390 0.898 ( -0.330 0.205 0.030) 0.390 0.944 ( -0.850 -0.446 -1.649) 1.908 0.944 ( -0.850 0.446 -1.649) 1.908 0.987 ( 0.056 -0.496 0.935) 1.060 0.987 ( 0.056 0.496 0.935) 1.060 1.060 ( -0.416 -1.163 -0.096) 1.239 1.060 ( -0.416 1.163 -0.096) 1.239 1.076 ( -0.023 -0.858 -0.863) 1.217 1.076 ( -0.023 0.858 -0.863) 1.217 1.156 ( 0.648 -0.441 -0.380) 0.871 1.156 ( 0.648 0.441 -0.380) 0.871 1.178 ( 0.865 -0.869 0.043) 1.227 1.178 ( 0.865 0.869 0.043) 1.227 1.219 ( -0.999 -0.282 -0.568) 1.183 1.219 ( -0.999 0.282 -0.568) 1.183 1.253 ( -0.035 -1.790 1.181) 2.145 1.253 ( -0.035 1.791 1.181) 2.145 1.340 ( 0.405 -2.070 -0.610) 2.196 1.340 ( 0.405 2.070 -0.610) 2.196 1.397 ( -0.152 -1.989 1.025) 2.243 1.397 ( -0.152 1.989 1.025) 2.243 1.490 ( -0.223 -1.752 1.664) 2.426 1.490 ( -0.223 1.752 1.664) 2.426 1.567 ( -0.095 -0.567 0.149) 0.594 1.567 ( -0.095 0.567 0.149) 0.594 1.599 ( -1.301 -2.268 -0.451) 2.653 1.599 ( -1.301 2.268 -0.451) 2.653 1.688 ( 0.277 -0.597 0.237) 0.700 1.688 ( 0.277 0.597 0.237) 0.700 1.891 ( 0.231 -0.660 0.082) 0.704 1.891 ( 0.231 0.660 0.082) 0.704 1.991 ( 0.030 -1.008 1.644) 1.929 1.991 ( 0.030 1.008 1.644) 1.929 2.162 ( 5.527 -0.985 -0.878) 5.682 2.162 ( 5.527 0.986 -0.878) 5.682 2.398 ( -0.091 -0.360 -1.439) 1.486 2.398 ( -0.091 0.360 -1.439) 1.486 2.492 ( -4.034 -0.289 -0.737) 4.111 2.492 ( -4.034 0.289 -0.737) 4.111 2.617 ( 1.624 -1.260 -1.613) 2.612 2.617 ( 1.624 1.260 -1.613) 2.612 2.785 ( -0.053 -1.613 1.845) 2.451 2.785 ( -0.053 1.614 1.845) 2.451 2.950 ( -2.101 -0.587 0.464) 2.230 2.950 ( -2.101 0.587 0.464) 2.230 3.731 ( -0.388 -1.368 -0.038) 1.423 3.731 ( -0.388 1.369 -0.038) 1.423 3.768 ( 0.562 -0.421 -0.382) 0.799 3.768 ( 0.562 0.421 -0.382) 0.799 4.053 ( -1.531 -2.135 -0.062) 2.628 4.053 ( -1.531 2.135 -0.062) 2.628 4.275 ( 1.807 -0.927 0.311) 2.055 4.275 ( 1.807 0.927 0.311) 2.055 4.946 ( 0.026 -0.987 0.068) 0.990 4.946 ( 0.026 0.987 0.068) 0.990 5.157 ( -1.443 -1.751 0.047) 2.269 5.157 ( -1.443 1.751 0.047) 2.269 5.610 ( 0.201 -0.514 -0.872) 1.032 5.610 ( 0.201 0.514 -0.872) 1.032 5.791 ( -0.366 -0.708 1.428) 1.636 5.791 ( -0.366 0.708 1.428) 1.636 5.921 ( 1.807 -1.031 -0.153) 2.086 5.921 ( 1.807 1.031 -0.153) 2.086 6.063 ( 1.370 -1.008 -0.479) 1.767 6.063 ( 1.370 1.008 -0.479) 1.767 6.147 ( -0.489 -0.076 0.141) 0.514 6.147 ( -0.489 0.076 0.141) 0.514 6.244 ( -0.496 -0.610 -0.209) 0.813 6.244 ( -0.496 0.610 -0.209) 0.813 6.964 ( -2.454 -1.158 0.062) 2.714 6.964 ( -2.454 1.158 0.062) 2.714 7.086 ( -0.912 -0.353 0.133) 0.986 7.086 ( -0.912 0.353 0.133) 0.986 7.784 ( 2.531 -1.662 -0.170) 3.033 7.784 ( 2.531 1.662 -0.170) 3.033 7.822 ( 0.057 -0.554 0.136) 0.573 7.822 ( 0.057 0.554 0.136) 0.573 7.992 ( 1.607 -0.423 -0.128) 1.666 7.992 ( 1.607 0.423 -0.128) 1.666 8.210 ( -1.651 -1.054 -0.063) 1.960 8.210 ( -1.651 1.054 -0.063) 1.960 8.551 ( -0.076 -0.220 -0.085) 0.247 8.551 ( -0.076 0.220 -0.085) 0.247 8.671 ( 0.694 -0.013 0.027) 0.695 8.671 ( 0.694 0.013 0.027) 0.695 8.802 ( -0.999 -0.335 0.190) 1.071 8.802 ( -0.999 0.335 0.190) 1.071 8.949 ( 2.056 -0.745 0.052) 2.187 8.949 ( 2.056 0.745 0.052) 2.187 9.114 ( -0.153 -1.797 -0.112) 1.807 9.114 ( -0.153 1.797 -0.112) 1.807 9.306 ( -1.311 -1.475 0.021) 1.973 9.306 ( -1.311 1.475 0.021) 1.973======================= Grid point 34 (21/56) =======================q-point: ( 0.40 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 53Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.851 ( -0.913 -1.566 0.647) 1.924 0.851 ( -0.913 1.566 0.647) 1.924 0.891 ( 0.046 -1.687 -0.751) 1.848 0.891 ( 0.046 1.688 -0.751) 1.848 0.915 ( -0.791 -0.976 -0.310) 1.294 0.915 ( -0.791 0.976 -0.310) 1.294 1.007 ( 0.590 -0.498 1.220) 1.444 1.007 ( 0.590 0.498 1.220) 1.444 1.042 ( -1.124 -0.524 -0.483) 1.331 1.042 ( -1.124 0.524 -0.483) 1.331 1.066 ( -0.039 -0.909 -0.606) 1.093 1.066 ( -0.039 0.909 -0.606) 1.093 1.143 ( -0.386 -0.529 -0.806) 1.038 1.143 ( -0.386 0.529 -0.806) 1.038 1.187 ( 0.172 -1.039 0.186) 1.069 1.187 ( 0.172 1.039 0.186) 1.069 1.216 ( 0.383 -0.247 -0.122) 0.472 1.216 ( 0.383 0.247 -0.122) 0.472 1.264 ( -0.040 -0.604 0.522) 0.800 1.264 ( -0.040 0.604 0.522) 0.800 1.332 ( 0.066 -0.791 -0.684) 1.048 1.332 ( 0.066 0.791 -0.684) 1.048 1.416 ( 0.531 -1.163 0.557) 1.395 1.416 ( 0.531 1.163 0.557) 1.395 1.507 ( -0.286 -2.005 -0.089) 2.027 1.507 ( -0.286 2.005 -0.089) 2.027 1.550 ( 0.501 -2.190 2.599) 3.436 1.550 ( 0.501 2.190 2.599) 3.436 1.602 ( 0.059 -0.361 -1.795) 1.832 1.602 ( 0.059 0.361 -1.795) 1.832 1.693 ( -0.507 -1.230 0.594) 1.456 1.693 ( -0.507 1.230 0.594) 1.456 1.902 ( 0.527 -0.283 0.513) 0.788 1.902 ( 0.527 0.283 0.513) 0.788 2.010 ( 0.292 -0.537 0.590) 0.850 2.010 ( 0.292 0.537 0.590) 0.850 2.217 ( 2.014 -0.310 -1.368) 2.454 2.217 ( 2.014 0.310 -1.368) 2.454 2.387 ( 0.767 -1.239 -0.369) 1.503 2.387 ( 0.767 1.239 -0.369) 1.503 2.421 ( -2.830 -1.321 -0.482) 3.160 2.421 ( -2.830 1.321 -0.482) 3.160 2.621 ( 0.406 -0.944 -0.729) 1.260 2.621 ( 0.406 0.944 -0.729) 1.260 2.816 ( 1.343 -1.393 1.121) 2.237 2.816 ( 1.343 1.393 1.121) 2.237 2.914 ( -2.213 -0.830 0.314) 2.384 2.914 ( -2.213 0.830 0.314) 2.384 3.723 ( -0.295 -1.472 -0.069) 1.503 3.723 ( -0.295 1.472 -0.069) 1.503 3.770 ( 0.218 -1.933 -0.371) 1.980 3.770 ( 0.218 1.933 -0.371) 1.980 4.031 ( -0.689 -2.576 0.034) 2.666 4.031 ( -0.689 2.576 0.034) 2.667 4.306 ( 1.007 -0.807 0.190) 1.305 4.306 ( 1.007 0.807 0.190) 1.305 4.944 ( -0.129 -0.675 -0.145) 0.702 4.944 ( -0.129 0.675 -0.145) 0.702 5.138 ( -0.714 -2.896 0.264) 2.994 5.138 ( -0.714 2.896 0.264) 2.994 5.602 ( 0.022 -0.380 -0.572) 0.687 5.602 ( 0.022 0.380 -0.572) 0.687 5.806 ( 0.011 -0.447 1.158) 1.241 5.806 ( 0.011 0.447 1.158) 1.241 5.943 ( 0.889 -2.147 -0.417) 2.360 5.943 ( 0.889 2.147 -0.417) 2.360 6.078 ( 0.827 -1.781 -0.489) 2.024 6.078 ( 0.827 1.781 -0.489) 2.024 6.143 ( -0.227 -0.463 0.287) 0.591 6.143 ( -0.227 0.463 0.287) 0.591 6.234 ( -0.324 -0.795 -0.084) 0.863 6.234 ( -0.324 0.795 -0.084) 0.863 6.926 ( -1.399 -1.505 -0.051) 2.056 6.926 ( -1.399 1.505 -0.051) 2.056 7.074 ( -0.522 -0.973 0.157) 1.116 7.074 ( -0.522 0.973 0.157) 1.116 7.794 ( -0.094 -0.892 -0.680) 1.126 7.794 ( -0.094 0.892 -0.680) 1.126 7.850 ( 1.524 -0.762 0.718) 1.849 7.850 ( 1.524 0.762 0.718) 1.849 8.023 ( 1.394 -1.304 -0.050) 1.909 8.023 ( 1.394 1.304 -0.050) 1.909 8.176 ( -1.420 -0.774 -0.159) 1.626 8.176 ( -1.420 0.774 -0.159) 1.626 8.551 ( 0.009 -0.285 0.016) 0.286 8.551 ( 0.009 0.285 0.016) 0.286 8.680 ( 0.300 -0.144 -0.048) 0.336 8.680 ( 0.300 0.144 -0.048) 0.336 8.792 ( -0.321 -0.348 0.163) 0.501 8.792 ( -0.321 0.348 0.163) 0.501 8.981 ( 1.148 -0.307 0.014) 1.188 8.981 ( 1.148 0.307 0.014) 1.188 9.110 ( -0.074 -2.131 -0.074) 2.133 9.110 ( -0.074 2.131 -0.074) 2.133 9.284 ( -0.939 -2.057 0.012) 2.261 9.284 ( -0.939 2.057 0.012) 2.261======================= Grid point 65 (22/56) =======================q-point: ( 0.00 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.277 ( -1.501 0.000 12.995) 13.082 0.367 ( -1.523 0.000 16.497) 16.567 0.451 ( 2.150 0.000 18.715) 18.838 0.543 ( -0.162 0.000 -11.475) 11.476 0.675 ( 1.588 0.000 -11.157) 11.269 0.734 ( 0.659 0.000 -6.628) 6.660 0.794 ( 1.969 0.000 1.283) 2.350 0.804 ( -0.817 0.000 -1.492) 1.701 0.889 ( 1.216 0.000 0.651) 1.379 0.892 ( -2.048 0.000 3.056) 3.678 0.940 ( -2.699 0.000 2.284) 3.536 0.954 ( 1.272 0.000 -1.914) 2.298 0.989 ( 0.163 0.000 2.142) 2.148 0.997 ( -1.964 0.000 0.916) 2.167 1.027 ( -0.529 0.000 1.972) 2.042 1.065 ( 2.148 0.000 -0.254) 2.163 1.073 ( -1.296 0.000 -1.316) 1.847 1.096 ( 0.321 0.000 0.324) 0.456 1.142 ( -0.253 0.000 -1.364) 1.387 1.150 ( 1.087 0.000 -0.531) 1.210 1.201 ( -1.648 0.000 1.368) 2.142 1.213 ( 0.708 0.000 -3.499) 3.570 1.277 ( -1.469 0.000 -6.228) 6.399 1.278 ( 3.033 0.000 -0.648) 3.101 1.464 ( -0.548 0.000 1.227) 1.344 1.488 ( 0.749 0.000 -1.280) 1.483 1.556 ( 0.106 0.000 1.507) 1.511 1.578 ( -1.419 0.000 0.616) 1.546 1.634 ( 0.028 0.000 0.859) 0.859 1.645 ( -0.936 0.000 4.399) 4.498 1.670 ( 0.926 0.000 -2.298) 2.477 1.732 ( -0.614 0.000 -1.349) 1.482 1.763 ( -3.393 0.000 2.087) 3.984 1.774 ( -0.208 0.000 -2.362) 2.371 1.825 ( 1.459 0.000 -4.617) 4.842 1.872 ( 5.328 0.000 -3.386) 6.313 2.034 ( 0.542 0.000 3.711) 3.750 2.065 ( -0.626 0.000 -0.016) 0.626 2.221 ( -0.053 0.000 7.227) 7.227 2.368 ( -0.116 0.000 -6.019) 6.020 2.427 ( -4.193 0.000 -0.277) 4.202 2.434 ( 2.638 0.000 -1.048) 2.839 2.584 ( 0.389 0.000 3.275) 3.298 2.621 ( -0.684 0.000 0.583) 0.898 2.917 ( 1.625 0.000 2.971) 3.386 2.988 ( -1.073 0.000 -2.759) 2.960 3.024 ( 2.271 0.000 -0.465) 2.318 3.030 ( -2.005 0.000 -0.813) 2.163 3.660 ( 0.793 0.000 3.058) 3.159 3.748 ( -4.787 0.000 -4.738) 6.735 3.805 ( 1.167 0.000 3.591) 3.776 3.863 ( -8.943 0.000 -1.094) 9.009 4.358 ( -1.419 0.000 1.002) 1.737 4.388 ( 2.009 0.000 -1.856) 2.735 4.508 ( -2.334 0.000 3.126) 3.901 4.561 ( 0.989 0.000 -1.641) 1.916 4.774 ( -3.148 0.000 2.024) 3.743 4.826 ( 13.092 0.000 -2.539) 13.336 5.065 ( 5.640 0.000 3.568) 6.674 5.139 ( -3.619 0.000 -2.904) 4.640 5.463 ( 0.302 0.000 1.211) 1.248 5.492 ( -0.170 0.000 -1.194) 1.206 5.536 ( -0.142 0.000 0.313) 0.344 5.556 ( 0.176 0.000 -1.303) 1.314 5.869 ( 0.806 0.000 0.574) 0.990 5.873 ( -1.336 0.000 0.046) 1.337 5.966 ( 0.928 0.000 1.874) 2.091 6.023 ( -0.047 0.000 -2.841) 2.841 6.132 ( -0.158 0.000 0.992) 1.005 6.150 ( -0.023 0.000 -0.430) 0.431 6.179 ( 0.595 0.000 0.526) 0.794 6.184 ( -0.796 0.000 -0.125) 0.805 6.995 ( 1.577 0.000 1.608) 2.252 7.032 ( -5.709 0.000 -1.596) 5.928 7.262 ( 0.519 0.000 0.801) 0.954 7.275 ( -0.310 0.000 -0.317) 0.443 7.641 ( -2.981 0.000 2.032) 3.608 7.670 ( 4.060 0.000 -0.312) 4.072 7.727 ( -0.472 0.000 -0.191) 0.509 7.738 ( 0.687 0.000 -1.251) 1.428 8.230 ( 6.131 0.000 0.086) 6.132 8.237 ( -5.679 0.000 -0.543) 5.705 8.288 ( 5.345 0.000 1.153) 5.468 8.298 ( -1.847 0.000 0.379) 1.885 8.546 ( 2.457 0.000 1.660) 2.965 8.559 ( 0.844 0.000 -0.080) 0.848 8.625 ( -4.114 0.000 -0.049) 4.115 8.659 ( -3.046 0.000 -0.434) 3.077 8.782 ( 6.628 0.000 -3.519) 7.504 8.796 ( -1.588 0.000 -2.715) 3.145 8.955 ( -2.335 0.000 0.728) 2.446 8.957 ( -3.144 0.000 0.957) 3.286 9.198 ( 0.234 0.000 2.554) 2.565 9.248 ( 1.589 0.000 -1.920) 2.492 9.365 ( -1.888 0.000 2.300) 2.976 9.404 ( 1.391 0.000 -1.284) 1.893======================= Grid point 66 (23/56) =======================q-point: ( 0.20 0.00 -0.67)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.445 ( 2.336 0.000 -8.497) 8.812 0.459 ( 0.993 0.000 8.086) 8.147 0.551 ( 2.034 0.000 12.279) 12.447 0.559 ( 4.349 0.000 -12.062) 12.822 0.656 ( 4.255 0.000 -10.490) 11.320 0.721 ( 6.452 0.000 5.679) 8.595 0.739 ( -3.720 0.000 -3.440) 5.067 0.820 ( 0.745 0.000 2.207) 2.329 0.873 ( 0.122 0.000 -1.356) 1.362 0.899 ( -2.737 0.000 -0.857) 2.868 0.941 ( -3.081 0.000 7.102) 7.742 0.966 ( 2.490 0.000 -1.003) 2.684 0.972 ( 0.318 0.000 0.922) 0.976 1.030 ( 0.522 0.000 1.767) 1.842 1.031 ( 0.972 0.000 -1.345) 1.659 1.077 ( 0.651 0.000 -0.775) 1.012 1.093 ( 2.800 0.000 -2.886) 4.021 1.103 ( 2.014 0.000 2.653) 3.330 1.145 ( -1.419 0.000 0.487) 1.500 1.161 ( 0.003 0.000 -3.801) 3.801 1.177 ( -0.021 0.000 -1.343) 1.343 1.188 ( 0.188 0.000 2.867) 2.873 1.207 ( -2.808 0.000 1.497) 3.182 1.286 ( -0.646 0.000 -0.711) 0.960 1.494 ( 1.138 0.000 -0.648) 1.310 1.497 ( 2.434 0.000 0.783) 2.557 1.547 ( -1.182 0.000 -1.789) 2.144 1.559 ( -2.350 0.000 2.410) 3.366 1.637 ( -2.025 0.000 -1.491) 2.515 1.638 ( -0.601 0.000 0.959) 1.132 1.689 ( -2.033 0.000 6.168) 6.494 1.703 ( -0.552 0.000 -2.528) 2.588 1.735 ( -0.825 0.000 1.426) 1.648 1.767 ( 1.435 0.000 0.835) 1.660 1.816 ( 1.592 0.000 -1.900) 2.479 1.855 ( 0.383 0.000 -4.020) 4.038 2.034 ( -2.481 0.000 -0.869) 2.629 2.069 ( 0.444 0.000 0.621) 0.763 2.281 ( -0.645 0.000 -5.334) 5.373 2.285 ( -3.012 0.000 6.377) 7.053 2.393 ( 0.333 0.000 -0.491) 0.593 2.480 ( 2.324 0.000 0.353) 2.351 2.596 ( -1.253 0.000 -1.545) 1.989 2.627 ( 0.884 0.000 1.733) 1.945 2.924 ( -1.265 0.000 -3.570) 3.788 2.957 ( -3.804 0.000 1.752) 4.188 2.970 ( -0.949 0.000 1.336) 1.639 3.042 ( 0.012 0.000 0.039) 0.041 3.692 ( 2.388 0.000 -0.810) 2.521 3.730 ( 0.913 0.000 3.654) 3.767 3.808 ( -0.549 0.000 -1.367) 1.473 3.895 ( -0.922 0.000 7.180) 7.239 4.345 ( -1.348 0.000 0.910) 1.626 4.397 ( 0.106 0.000 -1.481) 1.485 4.442 ( -5.586 0.000 -1.382) 5.754 4.542 ( -0.026 0.000 -1.115) 1.115 4.788 ( 4.289 0.000 2.417) 4.923 4.889 ( 3.852 0.000 -5.123) 6.409 5.043 ( -1.672 0.000 -2.941) 3.383 5.193 ( 3.559 0.000 0.324) 3.574 5.474 ( 0.063 0.000 -1.313) 1.315 5.486 ( 0.383 0.000 1.103) 1.167 5.541 ( -0.273 0.000 0.994) 1.030 5.542 ( -0.094 0.000 -0.817) 0.823 5.833 ( -2.551 0.000 0.264) 2.565 5.870 ( -1.115 0.000 0.312) 1.158 6.004 ( 1.573 0.000 -2.895) 3.295 6.028 ( 2.387 0.000 1.905) 3.054 6.146 ( 0.280 0.000 -1.046) 1.083 6.147 ( 0.512 0.000 0.981) 1.107 6.172 ( -0.134 0.000 0.189) 0.232 6.196 ( 0.478 0.000 0.308) 0.568 7.060 ( 7.400 0.000 -2.383) 7.775 7.150 ( 9.725 0.000 6.723) 11.822 7.263 ( -0.103 0.000 -1.024) 1.029 7.279 ( 0.410 0.000 0.537) 0.675 7.604 ( -2.755 0.000 0.376) 2.781 7.716 ( -0.711 0.000 0.527) 0.886 7.720 ( 3.122 0.000 -2.519) 4.012 7.728 ( -0.356 0.000 0.447) 0.571 8.071 ( -10.667 0.000 -2.869) 11.047 8.170 ( -6.288 0.000 -0.068) 6.288 8.336 ( 3.049 0.000 -1.519) 3.406 8.373 ( 3.496 0.000 -0.329) 3.512 8.474 ( -6.777 0.000 -0.333) 6.785 8.492 ( -3.340 0.000 -0.635) 3.400 8.636 ( -2.836 0.000 4.936) 5.692 8.644 ( -2.398 0.000 -0.460) 2.442 8.771 ( 4.097 0.000 -3.536) 5.412 8.848 ( 4.489 0.000 -2.208) 5.003 8.925 ( -4.328 0.000 6.078) 7.462 8.949 ( 1.510 0.000 1.258) 1.965 9.263 ( 1.955 0.000 -1.338) 2.369 9.272 ( 4.702 0.000 -1.041) 4.816 9.354 ( -2.330 0.000 2.110) 3.143 9.406 ( 0.639 0.000 -1.576) 1.700======================= Grid point 67 (24/56) =======================q-point: ( 0.40 0.00 -0.67)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.433 ( 5.945 0.000 -5.145) 7.862 0.440 ( 1.834 0.000 -5.995) 6.269 0.514 ( -5.995 0.000 -5.947) 8.444 0.542 ( -1.024 0.000 -5.290) 5.388 0.695 ( -0.897 0.000 2.399) 2.561 0.742 ( 0.936 0.000 -1.196) 1.519 0.750 ( 6.738 0.000 3.259) 7.485 0.867 ( 0.010 0.000 -0.833) 0.833 0.881 ( 1.694 0.000 0.159) 1.702 0.909 ( -0.657 0.000 8.037) 8.064 0.939 ( -2.927 0.000 0.540) 2.977 0.972 ( -0.268 0.000 -1.378) 1.404 0.997 ( 0.521 0.000 -3.632) 3.670 1.036 ( 0.906 0.000 -0.385) 0.985 1.067 ( 0.428 0.000 0.610) 0.745 1.077 ( 0.701 0.000 -1.671) 1.812 1.094 ( -0.479 0.000 -2.332) 2.380 1.109 ( 2.510 0.000 -2.512) 3.551 1.148 ( 0.015 0.000 2.892) 2.892 1.162 ( 0.608 0.000 -0.250) 0.657 1.179 ( -0.045 0.000 1.468) 1.469 1.214 ( 1.367 0.000 2.442) 2.799 1.219 ( 0.238 0.000 0.330) 0.407 1.291 ( -1.972 0.000 5.314) 5.668 1.496 ( -1.834 0.000 1.184) 2.183 1.501 ( -0.256 0.000 -2.057) 2.073 1.530 ( 1.444 0.000 -1.391) 2.005 1.551 ( -0.154 0.000 0.684) 0.701 1.606 ( -1.517 0.000 1.908) 2.438 1.650 ( -0.360 0.000 1.377) 1.423 1.670 ( 0.311 0.000 -0.064) 0.318 1.709 ( -1.939 0.000 3.606) 4.094 1.758 ( 1.698 0.000 -0.141) 1.704 1.807 ( -0.169 0.000 -1.452) 1.462 1.830 ( 1.295 0.000 -0.522) 1.396 1.855 ( 2.911 0.000 4.207) 5.116 1.957 ( -3.179 0.000 -3.184) 4.499 2.064 ( 0.064 0.000 -2.330) 2.331 2.262 ( 3.131 0.000 -0.918) 3.263 2.270 ( -5.924 0.000 4.628) 7.518 2.424 ( 3.588 0.000 0.010) 3.588 2.498 ( 0.411 0.000 -1.050) 1.128 2.551 ( -1.479 0.000 -1.445) 2.068 2.623 ( -1.371 0.000 -3.143) 3.429 2.880 ( -3.747 0.000 -0.443) 3.773 2.882 ( 1.032 0.000 -2.161) 2.395 2.999 ( -0.874 0.000 3.686) 3.788 3.038 ( 0.047 0.000 -0.036) 0.059 3.750 ( 3.974 0.000 -0.487) 4.004 3.765 ( -0.394 0.000 1.354) 1.410 3.782 ( -0.493 0.000 -1.150) 1.251 3.849 ( -6.517 0.000 -0.250) 6.522 4.334 ( -0.061 0.000 -1.122) 1.123 4.335 ( -0.959 0.000 0.569) 1.115 4.441 ( 1.182 0.000 1.164) 1.659 4.525 ( 0.284 0.000 -2.115) 2.134 4.887 ( -1.557 0.000 2.696) 3.113 4.898 ( 3.462 0.000 -3.300) 4.783 5.047 ( 2.415 0.000 3.926) 4.609 5.211 ( 0.327 0.000 -1.812) 1.841 5.468 ( 0.654 0.000 -0.527) 0.840 5.490 ( -0.570 0.000 -0.428) 0.713 5.545 ( 0.492 0.000 0.760) 0.905 5.549 ( -0.369 0.000 1.216) 1.271 5.809 ( -1.107 0.000 1.243) 1.665 5.849 ( -0.806 0.000 -0.587) 0.997 6.007 ( 1.914 0.000 -1.320) 2.325 6.051 ( -0.947 0.000 -0.766) 1.218 6.151 ( 1.178 0.000 0.470) 1.269 6.168 ( 0.528 0.000 0.724) 0.896 6.180 ( 0.171 0.000 0.241) 0.295 6.196 ( -0.435 0.000 -0.392) 0.586 7.170 ( 7.135 0.000 -1.685) 7.331 7.245 ( -0.741 0.000 -1.262) 1.464 7.291 ( 0.355 0.000 0.638) 0.730 7.342 ( -0.630 0.000 4.038) 4.087 7.569 ( -0.456 0.000 -0.082) 0.464 7.679 ( -0.955 0.000 -3.849) 3.966 7.726 ( -0.075 0.000 1.432) 1.434 7.765 ( 1.549 0.000 -0.489) 1.625 7.922 ( -1.537 0.000 2.681) 3.090 8.084 ( -2.307 0.000 -0.305) 2.327 8.361 ( -1.170 0.000 2.184) 2.478 8.384 ( -1.199 0.000 -1.701) 2.081 8.402 ( 1.217 0.000 -1.410) 1.863 8.449 ( -1.319 0.000 -1.169) 1.762 8.580 ( -1.148 0.000 -1.921) 2.238 8.597 ( -3.143 0.000 -0.389) 3.167 8.815 ( 0.398 0.000 1.708) 1.754 8.887 ( 3.484 0.000 -2.934) 4.555 8.953 ( -1.788 0.000 6.594) 6.832 9.007 ( 1.602 0.000 2.027) 2.584 9.266 ( -0.076 0.000 -0.693) 0.697 9.313 ( 2.687 0.000 -3.225) 4.197 9.340 ( -1.895 0.000 2.064) 2.802 9.391 ( 0.414 0.000 -1.862) 1.907======================= Grid point 68 (25/56) =======================q-point: (-0.40 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.328 ( -9.008 0.000 -0.614) 9.029 0.340 ( -9.458 0.000 -0.519) 9.472 0.511 ( 7.853 0.000 -5.832) 9.782 0.528 ( 8.694 0.000 -2.420) 9.024 0.721 ( 0.332 0.000 1.898) 1.927 0.725 ( -7.269 0.000 -3.355) 8.006 0.801 ( -2.036 0.000 0.470) 2.090 0.849 ( 0.541 0.000 2.709) 2.762 0.908 ( -1.182 0.000 3.410) 3.609 0.926 ( 0.939 0.000 1.473) 1.746 0.949 ( -0.366 0.000 -3.503) 3.522 0.951 ( 1.496 0.000 -1.958) 2.464 0.998 ( -0.069 0.000 3.929) 3.930 1.041 ( -1.519 0.000 -2.123) 2.611 1.045 ( -1.208 0.000 0.983) 1.557 1.063 ( -0.342 0.000 -0.166) 0.381 1.069 ( -0.176 0.000 0.348) 0.390 1.083 ( -2.059 0.000 -1.860) 2.774 1.155 ( -0.176 0.000 0.075) 0.191 1.186 ( 2.857 0.000 -1.124) 3.071 1.190 ( -1.033 0.000 2.241) 2.468 1.220 ( 0.382 0.000 -1.037) 1.105 1.268 ( -2.554 0.000 -1.246) 2.841 1.315 ( 3.954 0.000 3.255) 5.121 1.484 ( -0.711 0.000 1.536) 1.692 1.494 ( -0.889 0.000 0.555) 1.048 1.536 ( -0.964 0.000 -1.868) 2.102 1.541 ( -0.031 0.000 0.872) 0.873 1.604 ( -1.258 0.000 2.045) 2.401 1.655 ( 0.341 0.000 -1.737) 1.771 1.696 ( -0.081 0.000 3.071) 3.072 1.712 ( -0.282 0.000 -0.729) 0.781 1.787 ( 0.877 0.000 0.593) 1.059 1.793 ( 0.640 0.000 -1.004) 1.191 1.858 ( 2.042 0.000 2.115) 2.940 1.868 ( -1.676 0.000 -3.955) 4.295 1.979 ( 3.261 0.000 4.956) 5.933 2.010 ( -0.807 0.000 -5.637) 5.695 2.208 ( -5.935 0.000 2.951) 6.628 2.338 ( 5.211 0.000 -0.271) 5.219 2.474 ( -1.124 0.000 -2.551) 2.787 2.483 ( 1.306 0.000 -0.139) 1.313 2.544 ( 1.393 0.000 2.641) 2.986 2.545 ( -1.105 0.000 -2.540) 2.770 2.835 ( -1.529 0.000 0.951) 1.800 2.903 ( 3.887 0.000 -1.754) 4.265 3.024 ( -0.162 0.000 1.821) 1.828 3.044 ( 0.585 0.000 -0.509) 0.775 3.739 ( -3.828 0.000 0.155) 3.831 3.772 ( -1.312 0.000 -0.425) 1.379 3.782 ( 0.398 0.000 2.643) 2.673 3.799 ( 2.132 0.000 -0.103) 2.135 4.327 ( -0.203 0.000 0.011) 0.203 4.351 ( 2.236 0.000 -0.730) 2.352 4.471 ( -0.276 0.000 2.385) 2.401 4.495 ( -0.399 0.000 -3.260) 3.284 4.841 ( -4.367 0.000 1.569) 4.640 4.935 ( 4.071 0.000 -1.779) 4.443 5.141 ( 1.090 0.000 4.606) 4.733 5.170 ( -0.605 0.000 -5.261) 5.295 5.468 ( -0.886 0.000 -0.518) 1.027 5.481 ( 0.956 0.000 0.173) 0.971 5.552 ( -0.566 0.000 0.436) 0.715 5.563 ( 0.560 0.000 0.217) 0.601 5.824 ( 0.694 0.000 1.608) 1.751 5.836 ( 0.473 0.000 -0.997) 1.103 6.006 ( -2.071 0.000 -1.341) 2.468 6.037 ( 2.028 0.000 0.217) 2.040 6.164 ( -1.905 0.000 -0.271) 1.924 6.173 ( -0.669 0.000 0.478) 0.822 6.182 ( 0.603 0.000 0.552) 0.817 6.184 ( 0.159 0.000 -0.340) 0.375 7.164 ( -7.101 0.000 -1.414) 7.241 7.237 ( 1.699 0.000 -0.361) 1.736 7.302 ( -1.916 0.000 -0.163) 1.922 7.328 ( 1.131 0.000 4.231) 4.380 7.595 ( 0.763 0.000 2.984) 3.080 7.621 ( 0.628 0.000 -4.391) 4.436 7.740 ( -0.480 0.000 1.660) 1.728 7.760 ( -0.069 0.000 -1.512) 1.514 8.030 ( 5.093 0.000 4.263) 6.642 8.063 ( 3.218 0.000 -7.786) 8.425 8.353 ( -1.823 0.000 3.989) 4.386 8.380 ( -1.338 0.000 -1.722) 2.181 8.397 ( 1.158 0.000 1.288) 1.732 8.426 ( 2.141 0.000 -2.392) 3.211 8.549 ( -1.379 0.000 -0.175) 1.390 8.589 ( 3.167 0.000 -0.077) 3.168 8.820 ( -2.606 0.000 2.991) 3.967 8.886 ( 0.544 0.000 -3.690) 3.730 8.986 ( -3.013 0.000 4.419) 5.348 9.029 ( -1.090 0.000 0.748) 1.322 9.257 ( -0.560 0.000 0.383) 0.678 9.294 ( 0.521 0.000 -3.047) 3.091 9.343 ( -0.772 0.000 2.253) 2.382 9.386 ( 1.634 0.000 -2.048) 2.620======================= Grid point 69 (26/56) =======================q-point: (-0.20 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.234 ( -7.106 0.000 11.189) 13.255 0.244 ( -6.872 0.000 12.605) 14.356 0.430 ( -18.354 0.000 5.183) 19.072 0.637 ( 5.200 0.000 -4.276) 6.733 0.645 ( 6.544 0.000 0.398) 6.557 0.732 ( 0.582 0.000 -0.085) 0.589 0.794 ( 1.876 0.000 -5.546) 5.855 0.845 ( -1.761 0.000 -1.350) 2.219 0.907 ( 0.610 0.000 -3.383) 3.438 0.932 ( -3.038 0.000 1.939) 3.604 0.943 ( -1.554 0.000 4.097) 4.381 0.962 ( 0.450 0.000 -0.738) 0.864 0.983 ( -1.685 0.000 -2.368) 2.907 1.003 ( -1.307 0.000 2.234) 2.588 1.025 ( -0.883 0.000 2.393) 2.550 1.028 ( -1.769 0.000 0.422) 1.819 1.078 ( -0.151 0.000 2.725) 2.729 1.086 ( 1.232 0.000 -0.697) 1.416 1.159 ( 0.095 0.000 -0.089) 0.130 1.188 ( 0.072 0.000 -4.917) 4.918 1.199 ( -1.354 0.000 2.658) 2.983 1.206 ( 1.230 0.000 -2.305) 2.613 1.240 ( 1.996 0.000 -0.485) 2.054 1.364 ( 1.071 0.000 -4.417) 4.545 1.480 ( -2.100 0.000 1.048) 2.347 1.498 ( -0.167 0.000 -1.468) 1.477 1.516 ( 2.059 0.000 1.208) 2.387 1.553 ( -0.478 0.000 4.340) 4.366 1.618 ( -0.147 0.000 1.979) 1.985 1.631 ( -0.299 0.000 -0.632) 0.699 1.685 ( 0.083 0.000 -2.892) 2.893 1.730 ( -0.925 0.000 3.458) 3.580 1.775 ( 1.132 0.000 -2.270) 2.537 1.787 ( -0.065 0.000 -1.365) 1.366 1.822 ( -0.681 0.000 -0.642) 0.936 1.900 ( -0.018 0.000 -7.423) 7.423 1.961 ( 1.124 0.000 5.197) 5.317 2.055 ( 1.158 0.000 1.303) 1.744 2.166 ( -3.021 0.000 4.549) 5.461 2.399 ( 3.571 0.000 -3.455) 4.969 2.426 ( 0.652 0.000 -2.792) 2.867 2.490 ( -0.084 0.000 -0.563) 0.569 2.543 ( 0.365 0.000 1.887) 1.922 2.607 ( 0.142 0.000 3.016) 3.019 2.851 ( 0.429 0.000 3.294) 3.321 2.963 ( 4.272 0.000 -0.741) 4.336 3.035 ( 0.005 0.000 -2.025) 2.025 3.040 ( 0.433 0.000 0.415) 0.600 3.668 ( -3.863 0.000 0.670) 3.921 3.768 ( -0.225 0.000 1.676) 1.691 3.802 ( 1.274 0.000 -2.406) 2.722 3.962 ( 10.854 0.000 10.211) 14.902 4.335 ( 1.414 0.000 1.459) 2.032 4.375 ( 2.252 0.000 -1.871) 2.928 4.421 ( -3.307 0.000 -3.139) 4.560 4.494 ( -0.764 0.000 2.941) 3.038 4.800 ( -3.571 0.000 2.913) 4.609 4.937 ( -3.418 0.000 -11.409) 11.910 5.033 ( -3.514 0.000 -4.505) 5.714 5.186 ( -0.625 0.000 1.498) 1.623 5.455 ( -0.414 0.000 0.311) 0.518 5.498 ( 0.519 0.000 -0.037) 0.520 5.541 ( -0.467 0.000 -0.354) 0.586 5.566 ( 0.314 0.000 -0.918) 0.970 5.843 ( 1.452 0.000 -0.460) 1.523 5.862 ( 1.368 0.000 1.037) 1.717 5.963 ( -1.732 0.000 0.304) 1.758 6.061 ( -0.144 0.000 -0.729) 0.743 6.129 ( -1.043 0.000 0.222) 1.067 6.160 ( -0.715 0.000 -0.100) 0.722 6.177 ( -0.423 0.000 -0.324) 0.533 6.193 ( -0.309 0.000 0.443) 0.540 7.030 ( -6.085 0.000 0.343) 6.095 7.248 ( 0.360 0.000 0.195) 0.409 7.283 ( -0.571 0.000 0.003) 0.571 7.365 ( -5.085 0.000 -10.056) 11.269 7.579 ( 0.951 0.000 0.641) 1.147 7.642 ( -0.752 0.000 3.643) 3.720 7.738 ( -0.817 0.000 0.148) 0.830 7.744 ( 0.393 0.000 -1.467) 1.519 8.021 ( 6.349 0.000 -1.824) 6.606 8.163 ( 6.556 0.000 1.270) 6.678 8.322 ( -3.412 0.000 -0.804) 3.505 8.348 ( -3.369 0.000 1.812) 3.825 8.476 ( 3.523 0.000 1.949) 4.026 8.479 ( 5.764 0.000 -0.903) 5.834 8.580 ( 2.204 0.000 6.208) 6.587 8.664 ( 3.543 0.000 1.653) 3.909 8.808 ( -2.457 0.000 -5.650) 6.162 8.818 ( -0.469 0.000 1.952) 2.007 8.953 ( -3.895 0.000 1.941) 4.352 9.001 ( -2.171 0.000 -0.157) 2.176 9.252 ( -0.426 0.000 0.014) 0.426 9.267 ( -1.224 0.000 -2.771) 3.029 9.360 ( -0.895 0.000 2.442) 2.600 9.394 ( 1.755 0.000 -1.607) 2.380======================= Grid point 70 (27/56) =======================q-point: ( 0.00 0.08 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.291 ( -0.855 3.594 11.053) 11.654 0.350 ( 0.496 6.001 10.165) 11.814 0.565 ( 1.433 1.950 -10.601) 10.874 0.609 ( -1.369 -2.531 -13.604) 13.905 0.660 ( 0.137 11.608 11.139) 16.088 0.780 ( -0.346 2.425 -0.342) 2.473 0.822 ( 1.864 2.659 0.761) 3.335 0.857 ( 1.410 4.029 -2.950) 5.189 0.880 ( 0.321 0.286 2.903) 2.934 0.914 ( -1.532 1.763 -0.332) 2.359 0.949 ( -2.102 0.900 1.842) 2.936 0.970 ( -0.393 0.134 -0.438) 0.604 0.995 ( 0.962 0.913 -0.857) 1.579 1.018 ( -1.488 1.659 2.041) 3.022 1.031 ( -0.108 0.825 0.937) 1.253 1.061 ( 1.835 0.281 -0.967) 2.093 1.090 ( -0.355 1.504 1.668) 2.274 1.100 ( 0.212 0.550 -0.305) 0.664 1.137 ( -0.218 0.960 1.051) 1.440 1.187 ( 0.258 1.838 -0.136) 1.861 1.209 ( 0.594 0.428 -2.912) 3.003 1.219 ( -0.724 0.955 1.774) 2.141 1.254 ( 0.536 -0.813 -1.754) 2.006 1.299 ( 0.225 1.409 -3.893) 4.146 1.473 ( -0.773 1.013 -0.090) 1.277 1.491 ( 1.292 0.140 -1.674) 2.120 1.552 ( -0.343 -0.202 1.563) 1.613 1.558 ( -0.258 -1.348 1.352) 1.926 1.617 ( -1.271 -1.192 2.519) 3.062 1.654 ( -0.724 0.619 3.551) 3.676 1.664 ( 1.122 -0.326 -2.331) 2.608 1.717 ( -2.030 -1.356 1.555) 2.895 1.777 ( -0.672 1.836 -1.995) 2.793 1.804 ( 1.995 -0.329 -3.257) 3.834 1.850 ( 1.105 4.418 -2.706) 5.297 1.869 ( 0.793 3.124 -2.545) 4.107 2.073 ( 0.656 3.779 3.552) 5.227 2.115 ( -0.560 4.262 -0.180) 4.302 2.217 ( 0.117 -0.345 6.877) 6.887 2.360 ( -0.066 -1.047 -5.576) 5.674 2.416 ( -2.676 -0.050 0.709) 2.769 2.437 ( 2.361 0.241 -1.373) 2.742 2.596 ( -0.455 0.831 1.668) 1.918 2.611 ( -0.081 -0.568 0.563) 0.804 2.894 ( 0.997 -1.566 3.297) 3.784 2.961 ( -1.002 -2.695 -2.749) 3.978 3.019 ( -1.695 -1.108 0.424) 2.069 3.026 ( 1.595 -0.402 0.075) 1.646 3.646 ( 0.693 -0.983 1.427) 1.866 3.712 ( 0.534 -1.084 -4.149) 4.322 3.866 ( -0.062 3.093 4.368) 5.352 3.960 ( -4.824 5.071 -4.042) 8.083 4.356 ( -0.925 -0.436 1.374) 1.713 4.395 ( 0.943 -0.105 -1.598) 1.858 4.433 ( -3.160 -5.437 2.953) 6.948 4.504 ( 2.291 -5.170 -3.314) 6.554 4.783 ( -5.234 0.943 1.685) 5.579 4.837 ( 8.566 0.369 -2.570) 8.951 5.082 ( 5.193 1.685 2.933) 6.198 5.142 ( -3.612 0.315 -2.264) 4.274 5.473 ( 0.194 0.998 1.182) 1.559 5.501 ( -0.155 0.883 -1.179) 1.481 5.562 ( -0.074 2.526 0.435) 2.564 5.581 ( 0.078 2.239 -0.976) 2.444 5.875 ( -0.110 0.696 0.798) 1.064 5.886 ( -0.325 1.301 -0.265) 1.367 5.973 ( 0.446 0.529 1.800) 1.929 6.025 ( 0.193 0.100 -2.595) 2.604 6.139 ( -0.103 0.594 1.061) 1.220 6.161 ( -0.397 0.621 -0.504) 0.893 6.181 ( 0.556 0.108 0.371) 0.677 6.185 ( -0.504 0.012 -0.433) 0.664 7.055 ( 3.056 2.904 1.323) 4.418 7.118 ( -5.508 6.030 -5.809) 10.022 7.285 ( -0.471 1.774 0.420) 1.883 7.293 ( 0.851 1.508 -0.305) 1.758 7.624 ( -2.817 -1.131 1.345) 3.320 7.649 ( 4.237 -1.440 -0.257) 4.483 7.720 ( 0.226 -0.504 0.702) 0.893 7.746 ( -0.539 0.878 -1.537) 1.850 8.145 ( -1.114 -5.720 1.919) 6.135 8.186 ( 3.509 -5.288 -1.884) 6.620 8.311 ( 2.797 0.900 2.081) 3.601 8.326 ( -1.410 1.428 0.429) 2.052 8.535 ( -0.764 -0.906 2.755) 2.999 8.572 ( 2.494 -0.111 0.341) 2.520 8.631 ( -0.654 0.790 0.625) 1.201 8.648 ( -6.092 -1.998 2.072) 6.738 8.738 ( -3.024 -1.124 5.627) 6.486 8.779 ( 2.827 -3.769 0.536) 4.742 8.834 ( 2.807 1.796 -3.616) 4.917 8.894 ( -1.380 -7.481 -5.159) 9.192 9.181 ( 0.561 -1.768 2.165) 2.851 9.225 ( 0.431 -2.052 -1.982) 2.885 9.385 ( -1.354 -0.188 3.062) 3.353 9.438 ( 0.789 1.736 -2.007) 2.769======================= Grid point 71 (28/56) =======================q-point: ( 0.20 0.08 -0.67)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.416 ( 1.429 0.197 -3.475) 3.763 0.477 ( 2.495 0.268 3.040) 3.942 0.525 ( 8.185 0.916 -7.014) 10.818 0.572 ( 3.602 2.928 8.106) 9.341 0.733 ( -4.372 3.479 -1.570) 5.803 0.751 ( 1.507 4.021 -1.819) 4.664 0.803 ( -0.141 3.689 -2.382) 4.393 0.850 ( 0.115 3.093 2.702) 4.108 0.882 ( 0.647 1.729 -1.416) 2.327 0.919 ( -2.649 0.765 1.237) 3.022 0.950 ( -1.433 1.423 2.042) 2.872 0.958 ( 1.692 0.304 -0.388) 1.763 0.997 ( 0.875 1.829 -0.880) 2.210 1.019 ( 1.203 -0.722 0.822) 1.626 1.044 ( 0.532 1.382 0.822) 1.694 1.094 ( 2.536 0.497 -2.970) 3.937 1.103 ( 0.950 1.516 1.703) 2.470 1.114 ( 1.273 1.604 0.471) 2.101 1.150 ( -1.302 0.494 0.087) 1.395 1.178 ( 0.551 0.782 -1.022) 1.400 1.186 ( -1.389 0.726 -1.932) 2.488 1.198 ( -0.559 1.940 -0.544) 2.091 1.243 ( -0.775 3.133 3.740) 4.940 1.278 ( -0.507 -0.431 -1.202) 1.374 1.469 ( 0.891 -1.409 -0.233) 1.683 1.510 ( 0.770 0.267 -0.325) 0.877 1.543 ( 0.055 -0.118 -0.186) 0.227 1.561 ( -1.634 0.342 1.084) 1.990 1.625 ( -0.384 -1.095 1.768) 2.115 1.638 ( -1.250 0.173 -1.641) 2.071 1.690 ( -1.922 0.048 5.159) 5.505 1.713 ( 1.371 0.182 -3.109) 3.403 1.737 ( -0.957 1.760 2.053) 2.869 1.817 ( 1.693 3.942 -2.969) 5.217 1.826 ( 1.506 1.437 -0.187) 2.090 1.889 ( 2.061 4.144 -0.870) 4.709 2.076 ( -2.373 3.851 -1.089) 4.653 2.118 ( 0.696 4.320 0.507) 4.405 2.265 ( -1.756 -1.015 -1.933) 2.802 2.296 ( -1.123 0.372 2.548) 2.809 2.388 ( -0.425 -0.367 0.053) 0.564 2.473 ( 2.270 -0.441 -0.365) 2.341 2.596 ( -1.449 -0.060 -0.121) 1.455 2.609 ( -0.081 -1.168 0.370) 1.228 2.899 ( -1.654 -2.381 -2.505) 3.831 2.940 ( -0.401 -2.729 2.557) 3.762 2.972 ( -3.718 0.885 0.586) 3.866 3.036 ( -0.117 -0.699 -0.420) 0.824 3.653 ( 1.152 -2.147 -0.600) 2.509 3.714 ( 1.791 -0.941 -0.170) 2.030 3.856 ( -1.899 3.846 -0.165) 4.293 3.948 ( -1.797 2.586 4.147) 5.207 4.340 ( -1.708 -0.675 0.362) 1.872 4.404 ( -1.863 -3.154 -0.125) 3.665 4.415 ( -0.423 0.261 2.154) 2.211 4.508 ( 1.776 -3.617 -2.045) 4.519 4.752 ( 1.014 -1.924 0.521) 2.236 4.881 ( 1.475 -0.006 -1.420) 2.047 5.059 ( -0.261 0.814 -3.736) 3.833 5.204 ( 3.923 1.081 0.835) 4.154 5.483 ( 0.072 0.986 -1.165) 1.528 5.492 ( 0.160 0.739 1.065) 1.306 5.568 ( -0.145 2.485 -0.124) 2.492 5.570 ( -0.152 2.530 0.258) 2.548 5.844 ( -2.417 1.172 0.230) 2.696 5.877 ( -1.171 0.659 0.220) 1.362 6.015 ( 1.946 1.042 -2.256) 3.156 6.031 ( 2.448 0.275 1.514) 2.891 6.146 ( -0.004 0.102 -0.370) 0.383 6.155 ( 0.074 0.503 0.640) 0.818 6.173 ( -0.169 0.121 0.008) 0.208 6.195 ( 0.447 -0.036 0.277) 0.527 7.017 ( 2.284 -0.766 -0.296) 2.428 7.245 ( 6.894 3.172 3.117) 8.204 7.279 ( -0.174 1.040 -0.304) 1.098 7.310 ( 2.335 3.315 0.314) 4.067 7.584 ( -2.481 -1.196 0.369) 2.779 7.697 ( 2.619 -1.828 -2.601) 4.119 7.716 ( -0.758 0.054 -0.465) 0.891 7.737 ( -0.171 0.794 1.479) 1.687 7.987 ( -8.900 -5.605 -1.594) 10.638 8.222 ( -5.931 2.452 -1.625) 6.621 8.304 ( 4.939 -3.148 -1.184) 5.976 8.375 ( 1.855 -0.030 -0.644) 1.964 8.479 ( -7.597 0.672 1.326) 7.741 8.508 ( -2.127 1.331 -0.169) 2.514 8.621 ( -1.678 -1.795 -0.963) 2.640 8.655 ( -3.238 1.519 3.017) 4.679 8.758 ( 2.007 -1.227 0.510) 2.407 8.847 ( -0.541 -4.216 4.917) 6.499 8.856 ( 5.112 -2.467 -2.120) 6.059 8.901 ( 5.974 -1.417 -2.068) 6.479 9.216 ( 1.314 -3.360 -1.698) 3.987 9.237 ( 2.898 -2.497 0.484) 3.855 9.374 ( -2.781 0.673 1.872) 3.419 9.426 ( -0.116 0.531 -1.403) 1.505======================= Grid point 72 (29/56) =======================q-point: ( 0.40 0.08 -0.67)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.432 ( 7.665 4.313 -3.487) 9.461 0.511 ( -3.581 4.926 0.858) 6.150 0.572 ( -2.577 4.512 -1.516) 5.413 0.603 ( 1.953 4.707 -4.233) 6.625 0.712 ( -1.889 0.964 4.736) 5.189 0.750 ( 1.556 1.792 -1.657) 2.895 0.784 ( 3.532 2.824 1.111) 4.657 0.871 ( -1.694 0.222 0.238) 1.725 0.904 ( -0.362 1.168 1.940) 2.293 0.914 ( 0.675 1.404 3.262) 3.615 0.954 ( -0.401 1.329 0.863) 1.634 0.969 ( 0.524 -0.136 -0.810) 0.974 0.998 ( 0.880 0.983 -2.274) 2.628 1.041 ( 0.488 -0.103 -0.637) 0.809 1.075 ( -0.802 1.783 -1.708) 2.596 1.088 ( 0.911 0.098 -1.968) 2.171 1.099 ( 0.390 1.186 -1.141) 1.692 1.118 ( 0.856 0.551 -2.211) 2.434 1.139 ( 1.029 0.543 1.209) 1.677 1.182 ( 0.754 1.292 -0.602) 1.612 1.194 ( -0.421 1.270 1.444) 1.969 1.207 ( 1.051 0.359 1.864) 2.170 1.248 ( 0.004 1.122 -0.163) 1.133 1.289 ( -1.646 0.427 4.640) 4.941 1.479 ( -0.543 -0.523 -1.472) 1.654 1.490 ( 0.444 -2.229 -0.770) 2.400 1.537 ( -0.128 1.451 0.144) 1.464 1.564 ( -0.245 0.658 0.386) 0.801 1.609 ( -1.566 0.404 1.498) 2.205 1.652 ( 0.397 -0.504 2.387) 2.472 1.686 ( 1.529 1.422 -3.429) 4.015 1.706 ( -2.481 -0.244 3.820) 4.561 1.791 ( 0.243 3.379 4.080) 5.303 1.825 ( 2.323 1.933 -1.363) 3.315 1.833 ( 1.256 2.426 -2.632) 3.793 1.937 ( 2.411 6.097 3.072) 7.240 1.996 ( -3.134 3.752 -3.352) 5.927 2.114 ( -0.088 4.673 -2.327) 5.221 2.242 ( 0.689 -1.126 0.621) 1.459 2.287 ( -3.090 0.729 2.011) 3.758 2.412 ( 2.439 -1.319 0.636) 2.845 2.491 ( 0.420 -1.009 -0.830) 1.372 2.558 ( -1.832 0.802 -0.628) 2.096 2.594 ( -0.549 -1.924 -2.406) 3.129 2.859 ( -0.009 -1.702 -1.057) 2.004 2.901 ( -2.812 0.988 -0.737) 3.070 2.970 ( -1.062 -2.581 3.204) 4.249 3.023 ( 0.033 -1.516 -0.984) 1.808 3.691 ( 2.968 -3.169 -0.587) 4.381 3.722 ( -0.572 -1.996 -0.463) 2.127 3.845 ( 0.472 3.654 0.244) 3.693 3.902 ( -4.525 2.725 0.306) 5.291 4.319 ( -0.377 -1.783 -0.015) 1.822 4.351 ( -1.829 0.338 -0.525) 1.932 4.450 ( 0.037 0.779 2.102) 2.242 4.513 ( 1.224 -1.706 -1.940) 2.859 4.806 ( 3.439 -4.964 -0.002) 6.039 4.869 ( -3.149 -2.090 0.544) 3.819 5.083 ( 3.688 1.665 2.161) 4.588 5.232 ( 0.197 1.551 -1.704) 2.312 5.480 ( 0.708 1.143 -0.446) 1.416 5.496 ( -0.574 0.664 -0.012) 0.878 5.565 ( 0.108 2.220 0.372) 2.254 5.576 ( -0.160 2.330 0.684) 2.433 5.821 ( -0.984 1.236 1.095) 1.922 5.856 ( -0.750 0.700 -0.504) 1.143 6.026 ( 1.830 1.731 -1.174) 2.779 6.058 ( -0.629 0.668 -0.433) 1.015 6.149 ( 1.013 -0.186 0.297) 1.072 6.170 ( -0.175 0.129 0.894) 0.920 6.176 ( 0.355 -0.331 -0.006) 0.485 6.198 ( -0.244 0.117 -0.239) 0.361 7.114 ( 7.657 -3.594 -0.350) 8.466 7.245 ( -3.072 -0.860 -0.999) 3.343 7.300 ( 0.966 1.008 0.289) 1.426 7.363 ( -3.294 0.107 1.332) 3.555 7.565 ( -0.615 0.089 1.228) 1.377 7.664 ( -0.406 -1.114 -3.607) 3.796 7.718 ( 0.090 -0.559 0.824) 1.000 7.755 ( 0.902 -0.747 -0.287) 1.206 7.921 ( 2.104 0.231 2.731) 3.455 8.108 ( -3.715 1.623 -1.187) 4.224 8.350 ( 1.424 -2.430 -0.876) 2.950 8.382 ( -1.274 0.323 0.373) 1.367 8.398 ( -1.582 0.603 0.260) 1.713 8.478 ( -1.239 2.357 -1.815) 3.223 8.562 ( -0.093 -1.234 -1.589) 2.014 8.611 ( -2.952 1.292 -0.733) 3.304 8.812 ( 0.565 -0.739 2.349) 2.526 8.874 ( 0.910 -1.411 0.262) 1.699 8.932 ( 0.950 -1.503 3.467) 3.896 8.985 ( 3.645 -1.660 0.774) 4.079 9.221 ( 0.994 -3.584 -0.800) 3.804 9.270 ( 1.059 -2.919 -1.172) 3.319 9.351 ( -2.242 -0.094 1.300) 2.593 9.397 ( 0.127 0.024 -2.233) 2.236======================= Grid point 73 (30/56) =======================q-point: (-0.40 0.08 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.434 ( -6.929 9.533 5.831) 13.148 0.454 ( -5.492 8.329 -3.608) 10.609 0.559 ( 6.875 5.025 -0.582) 8.536 0.614 ( 5.715 6.814 -5.018) 10.211 0.714 ( -3.339 1.022 0.356) 3.510 0.764 ( -0.455 2.299 -1.333) 2.696 0.816 ( -2.950 1.647 0.175) 3.384 0.859 ( 1.012 1.299 1.723) 2.383 0.906 ( -1.457 0.168 4.682) 4.906 0.938 ( -0.849 -0.036 -0.056) 0.851 0.959 ( 1.153 1.730 -1.651) 2.655 0.973 ( 1.092 1.795 -1.972) 2.882 0.999 ( -0.302 0.189 1.940) 1.972 1.038 ( -0.655 -0.315 1.474) 1.644 1.048 ( -0.824 0.700 -0.236) 1.107 1.066 ( 1.289 0.524 -2.799) 3.126 1.080 ( -2.070 0.472 -0.855) 2.288 1.094 ( -1.546 1.784 -0.237) 2.373 1.158 ( -0.626 0.554 0.394) 0.924 1.184 ( 0.823 0.105 -0.355) 0.902 1.202 ( 0.478 0.896 0.610) 1.185 1.217 ( 0.182 -0.019 -0.415) 0.453 1.275 ( -1.827 0.609 -0.688) 2.045 1.312 ( 3.025 -0.098 2.320) 3.813 1.466 ( 0.102 -1.091 0.796) 1.354 1.490 ( 0.707 -1.271 -1.405) 2.022 1.542 ( -1.325 1.164 0.229) 1.778 1.553 ( -0.270 0.980 0.404) 1.094 1.600 ( -2.393 -0.148 2.581) 3.523 1.661 ( 0.083 0.359 -2.856) 2.879 1.695 ( -0.289 -0.193 3.611) 3.628 1.706 ( -0.607 -0.394 0.056) 0.726 1.800 ( -0.082 1.915 0.065) 1.917 1.832 ( 1.422 2.903 -1.570) 3.593 1.880 ( 0.388 2.507 1.731) 3.071 1.916 ( 0.921 4.343 -2.722) 5.208 2.036 ( 2.248 5.349 3.638) 6.848 2.054 ( -0.820 4.361 -4.871) 6.589 2.207 ( -5.532 -0.057 2.313) 5.996 2.328 ( 5.273 -0.724 -0.537) 5.349 2.459 ( -0.098 -1.565 0.061) 1.570 2.464 ( -0.811 -2.115 -0.757) 2.388 2.545 ( 0.628 0.722 0.784) 1.237 2.559 ( 0.693 1.217 -1.334) 1.934 2.843 ( -1.374 0.829 0.217) 1.620 2.898 ( 3.609 -0.452 -0.611) 3.688 2.991 ( -0.254 -3.084 2.136) 3.760 3.018 ( 0.741 -2.621 -1.238) 2.992 3.680 ( -2.859 -2.581 -0.022) 3.852 3.729 ( 1.652 -2.005 -1.033) 2.795 3.850 ( -1.390 2.844 0.404) 3.191 3.879 ( 2.374 5.146 1.374) 5.831 4.326 ( -0.352 -0.372 -0.424) 0.665 4.333 ( 1.084 -1.837 0.532) 2.198 4.466 ( -0.924 -0.970 2.092) 2.484 4.504 ( 0.999 0.298 -2.363) 2.583 4.799 ( -4.349 -3.385 0.350) 5.523 4.874 ( 4.077 -3.352 0.204) 5.282 5.165 ( -0.941 1.430 0.225) 1.727 5.184 ( 0.220 0.456 -1.584) 1.663 5.478 ( -0.906 1.028 -0.287) 1.400 5.494 ( 0.918 1.143 0.047) 1.467 5.571 ( -0.451 1.912 0.453) 2.016 5.582 ( 0.516 1.795 -0.020) 1.868 5.834 ( 0.428 0.926 1.156) 1.542 5.847 ( 0.745 1.066 -0.658) 1.458 6.021 ( -2.075 1.428 -0.848) 2.658 6.051 ( 1.640 1.319 -0.017) 2.105 6.156 ( -1.565 -0.433 -0.039) 1.624 6.173 ( 0.399 -0.367 0.438) 0.697 6.185 ( -0.145 0.303 -0.217) 0.400 6.185 ( -0.214 0.027 0.336) 0.399 7.115 ( -8.218 -3.501 -0.434) 8.944 7.230 ( 3.827 -1.215 0.026) 4.016 7.312 ( -1.554 0.971 -0.246) 1.849 7.345 ( 2.895 0.677 1.876) 3.515 7.589 ( 0.554 -0.350 2.679) 2.758 7.622 ( 1.464 0.219 -3.742) 4.024 7.734 ( -0.327 -0.442 1.014) 1.154 7.745 ( -0.287 -1.149 -0.993) 1.546 8.003 ( -1.072 -1.584 0.900) 2.114 8.083 ( 5.697 0.861 -3.442) 6.712 8.343 ( -1.646 -1.299 2.099) 2.967 8.368 ( -0.907 -1.506 -1.414) 2.256 8.405 ( 0.340 1.348 2.877) 3.195 8.447 ( 2.216 1.992 -2.489) 3.883 8.557 ( -1.502 0.957 -1.162) 2.127 8.590 ( 3.190 0.411 0.617) 3.275 8.817 ( -3.351 -0.176 3.036) 4.525 8.875 ( -0.301 -1.167 -1.799) 2.165 8.956 ( -3.215 -2.122 2.977) 4.868 9.022 ( 0.713 -1.568 -0.973) 1.978 9.228 ( -0.796 -3.019 0.313) 3.138 9.251 ( 0.258 -3.199 -2.725) 4.210 9.330 ( -2.039 -0.990 2.978) 3.743 9.399 ( 2.630 0.693 -2.012) 3.383======================= Grid point 74 (31/56) =======================q-point: (-0.20 0.08 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.300 ( -5.726 10.953 -2.265) 12.565 0.402 ( -9.367 7.516 3.623) 12.544 0.549 ( -6.291 10.564 8.638) 15.026 0.658 ( 1.283 2.794 -3.926) 4.987 0.695 ( 5.662 4.541 -0.512) 7.276 0.753 ( 0.822 1.956 1.067) 2.375 0.803 ( 1.837 0.315 -6.750) 7.003 0.855 ( -1.541 1.059 -0.308) 1.895 0.896 ( -1.331 0.167 -1.790) 2.237 0.945 ( -0.758 0.554 3.125) 3.263 0.954 ( -1.468 1.595 0.121) 2.171 0.982 ( 0.737 1.727 0.396) 1.919 0.994 ( 0.186 0.791 -2.402) 2.535 1.017 ( -1.760 1.172 0.839) 2.275 1.034 ( -2.185 0.728 1.660) 2.839 1.042 ( -0.871 1.725 1.683) 2.563 1.070 ( -0.545 -0.360 2.074) 2.174 1.092 ( 0.628 0.715 0.255) 0.986 1.149 ( 0.051 0.025 -0.932) 0.934 1.190 ( 0.323 0.067 -0.221) 0.397 1.214 ( 0.724 0.883 -1.057) 1.556 1.219 ( -0.006 1.000 -1.069) 1.464 1.248 ( 0.907 0.775 -0.578) 1.326 1.344 ( 0.435 -1.303 -2.399) 2.764 1.478 ( 0.870 -0.394 -1.776) 2.017 1.505 ( 2.096 -0.910 0.519) 2.343 1.520 ( -1.760 1.906 0.917) 2.751 1.547 ( -1.481 -0.115 2.654) 3.041 1.604 ( -1.193 -0.647 2.897) 3.199 1.635 ( 0.163 0.323 -0.429) 0.561 1.681 ( -0.026 -0.303 -2.387) 2.406 1.724 ( -1.643 -0.432 3.186) 3.610 1.799 ( -0.081 0.896 -1.024) 1.363 1.831 ( 0.470 3.726 -3.431) 5.087 1.835 ( 0.956 2.072 -2.265) 3.215 1.945 ( -1.085 4.322 -5.248) 6.884 2.005 ( 1.592 4.386 4.073) 6.193 2.105 ( 0.873 4.600 1.518) 4.922 2.164 ( -2.638 -0.110 3.908) 4.717 2.391 ( 3.132 -0.732 -3.175) 4.520 2.424 ( 0.705 -1.797 -1.821) 2.654 2.454 ( -1.973 -0.208 0.569) 2.064 2.575 ( 0.528 0.730 1.833) 2.043 2.588 ( 1.303 0.480 1.200) 1.836 2.846 ( 0.383 -0.126 1.778) 1.824 2.966 ( 3.500 -0.426 0.069) 3.527 3.006 ( 0.389 -2.872 -1.242) 3.153 3.018 ( 0.385 -2.229 0.738) 2.379 3.636 ( -1.366 -1.254 0.060) 1.855 3.735 ( 0.646 -1.999 -1.179) 2.409 3.842 ( -0.321 2.218 0.501) 2.296 3.989 ( 5.626 1.854 2.473) 6.419 4.333 ( 1.270 -0.636 0.681) 1.576 4.369 ( 1.248 -1.976 2.243) 3.239 4.465 ( -1.880 -2.291 1.159) 3.182 4.498 ( 2.751 2.981 -3.407) 5.298 4.744 ( -1.876 -2.458 0.980) 3.244 4.911 ( -1.686 -1.943 -3.855) 4.635 5.044 ( -2.796 0.848 -3.430) 4.506 5.201 ( -1.866 0.813 1.007) 2.271 5.465 ( -0.476 1.096 0.355) 1.246 5.507 ( 0.508 0.897 -0.210) 1.052 5.564 ( -0.263 2.214 -0.212) 2.240 5.587 ( 0.294 1.977 -0.510) 2.063 5.851 ( 1.328 0.801 -0.076) 1.552 5.873 ( 1.545 1.015 0.448) 1.902 5.979 ( -2.205 1.349 0.547) 2.642 6.062 ( -0.602 0.132 -0.938) 1.123 6.131 ( -0.605 0.410 0.362) 0.816 6.168 ( -0.194 0.377 0.032) 0.425 6.180 ( -0.593 0.244 -0.024) 0.642 6.192 ( 0.137 -0.227 0.027) 0.267 7.011 ( -2.038 -0.455 0.038) 2.089 7.268 ( 0.870 0.668 0.607) 1.253 7.288 ( -0.824 1.435 -0.499) 1.728 7.390 ( -3.597 -0.537 -3.480) 5.034 7.593 ( 0.387 1.660 -2.227) 2.805 7.633 ( -0.733 -0.800 2.581) 2.800 7.720 ( -0.299 -1.370 -0.585) 1.520 7.756 ( 1.426 0.821 -0.004) 1.646 7.969 ( 5.535 -3.993 -1.934) 7.094 8.181 ( 5.180 0.788 2.203) 5.684 8.294 ( -4.627 -2.633 -0.380) 5.337 8.352 ( -1.698 0.079 1.068) 2.008 8.473 ( 2.659 -0.598 4.073) 4.901 8.504 ( 3.602 2.468 -0.097) 4.367 8.550 ( 1.696 -0.786 2.318) 2.977 8.673 ( 4.125 0.700 1.845) 4.573 8.776 ( -6.449 -1.281 2.933) 7.200 8.811 ( -2.047 -0.546 -4.018) 4.542 8.892 ( -5.458 -1.748 -0.060) 5.731 8.986 ( -1.437 -4.496 -4.036) 6.210 9.185 ( -2.652 -3.654 0.429) 4.536 9.242 ( 0.038 -1.625 -0.974) 1.895 9.355 ( -0.252 -1.144 3.450) 3.644 9.429 ( 2.728 1.614 -1.321) 3.434======================= Grid point 75 (32/56) =======================q-point: ( 0.00 0.17 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 91Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.477 ( -0.231 11.756 -2.242) 11.971 0.490 ( 0.631 8.287 5.312) 9.863 0.591 ( 0.759 3.082 -10.253) 10.733 0.646 ( -1.677 4.344 -7.658) 8.962 0.826 ( -0.567 2.948 1.464) 3.339 0.839 ( 1.064 5.619 2.032) 6.069 0.880 ( -1.213 2.420 2.467) 3.663 0.909 ( 1.262 3.387 2.587) 4.445 0.920 ( 0.541 2.041 0.746) 2.239 0.954 ( -0.292 1.208 -2.191) 2.518 0.968 ( -1.607 1.688 -2.124) 3.153 0.983 ( 0.649 2.031 -0.633) 2.224 1.010 ( -0.637 1.491 0.245) 1.640 1.051 ( -1.059 1.312 1.778) 2.450 1.062 ( 0.770 1.705 1.940) 2.695 1.087 ( 2.294 2.466 -2.258) 4.055 1.117 ( 0.096 1.224 1.333) 1.812 1.125 ( -0.060 1.633 2.093) 2.655 1.172 ( -0.871 2.098 -0.003) 2.272 1.199 ( -0.235 -0.035 -0.976) 1.005 1.229 ( -0.420 1.635 -0.445) 1.746 1.246 ( 0.652 1.656 0.630) 1.888 1.264 ( 0.904 1.306 0.410) 1.640 1.313 ( -0.370 -0.068 -1.274) 1.329 1.499 ( -2.132 1.555 -0.355) 2.662 1.504 ( 2.953 1.311 -1.076) 3.406 1.538 ( 0.095 -0.522 1.222) 1.332 1.560 ( -0.344 0.888 -0.353) 1.016 1.605 ( -1.614 0.040 2.304) 2.814 1.656 ( 1.345 -0.517 -1.619) 2.167 1.667 ( -1.050 0.601 3.227) 3.446 1.697 ( -1.259 -0.673 1.268) 1.909 1.809 ( 0.973 2.282 -0.410) 2.515 1.845 ( 0.220 3.358 -3.487) 4.846 1.928 ( 2.495 3.590 -0.060) 4.372 1.963 ( -1.727 4.650 -3.400) 6.014 2.161 ( 1.029 4.654 2.824) 5.540 2.200 ( -0.945 3.687 0.487) 3.837 2.215 ( 0.246 0.537 4.347) 4.387 2.326 ( 0.059 -2.291 -4.018) 4.626 2.432 ( -1.559 1.512 0.456) 2.219 2.450 ( 1.058 1.211 -0.851) 1.820 2.610 ( 0.172 1.362 0.520) 1.468 2.624 ( -0.442 1.934 -0.553) 2.060 2.852 ( 0.700 -3.007 0.680) 3.162 2.891 ( -0.499 -4.177 -2.641) 4.967 2.986 ( -1.180 -2.172 2.298) 3.375 3.008 ( 0.947 -1.574 0.729) 1.976 3.633 ( -1.016 -0.068 2.499) 2.698 3.713 ( 2.604 0.847 -4.518) 5.282 3.894 ( -0.447 -0.275 5.353) 5.379 4.006 ( -1.134 -0.138 -4.214) 4.366 4.320 ( -2.791 -5.128 1.817) 6.114 4.333 ( 0.929 -2.568 2.185) 3.497 4.367 ( 2.267 -4.207 -1.808) 5.109 4.405 ( -1.430 -3.454 -3.919) 5.416 4.809 ( -5.351 1.637 1.405) 5.769 4.844 ( 6.021 0.692 -0.873) 6.123 5.124 ( 5.279 2.328 1.490) 5.959 5.153 ( -4.576 0.730 -1.030) 4.747 5.502 ( 0.084 1.996 0.936) 2.206 5.524 ( 0.005 1.451 -0.946) 1.733 5.624 ( -0.077 3.475 0.399) 3.499 5.634 ( -0.049 3.080 -0.452) 3.113 5.894 ( -0.896 1.148 1.276) 1.936 5.920 ( 0.747 1.932 -0.967) 2.286 5.985 ( 0.089 0.801 1.330) 1.555 6.022 ( 0.250 -0.404 -1.792) 1.854 6.148 ( -0.105 0.262 0.713) 0.766 6.168 ( -0.223 -0.033 -0.447) 0.500 6.181 ( 0.064 -0.046 0.477) 0.484 6.185 ( -0.133 0.032 -0.269) 0.302 7.090 ( 1.305 0.389 2.706) 3.030 7.175 ( -2.743 0.034 -5.139) 5.825 7.282 ( 0.538 -2.226 1.123) 2.551 7.309 ( 0.195 -0.768 -1.146) 1.393 7.629 ( -1.607 1.996 0.915) 2.721 7.650 ( 2.905 2.180 -1.002) 3.768 7.723 ( 0.359 0.927 2.152) 2.370 7.768 ( -1.117 1.344 -2.112) 2.741 8.031 ( 2.427 -5.534 2.019) 6.371 8.071 ( -1.549 -5.917 -1.663) 6.338 8.297 ( 2.048 -1.908 3.931) 4.826 8.339 ( -1.462 -0.261 -0.180) 1.496 8.516 ( -2.581 0.007 3.853) 4.637 8.567 ( 2.667 -0.023 -0.603) 2.735 8.647 ( -6.344 1.599 0.375) 6.553 8.667 ( 4.308 1.993 0.311) 4.757 8.733 ( 0.036 0.037 -2.685) 2.685 8.763 ( -0.226 -2.892 -3.938) 4.891 8.791 ( -1.877 1.081 3.059) 3.748 8.857 ( 2.685 0.554 -1.643) 3.196 9.136 ( 0.649 -2.631 1.437) 3.068 9.179 ( 0.048 -2.490 -2.445) 3.490 9.366 ( -1.737 -1.317 4.484) 4.985 9.443 ( 1.048 -1.017 -2.603) 2.985======================= Grid point 76 (33/56) =======================q-point: ( 0.20 0.17 -0.67)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 91Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.504 ( 2.667 8.117 -1.417) 8.661 0.533 ( 2.822 5.703 3.543) 7.283 0.583 ( 5.369 4.571 -3.051) 7.683 0.652 ( 3.071 4.900 3.798) 6.919 0.812 ( -4.795 4.582 -0.123) 6.634 0.831 ( -0.918 3.179 -1.184) 3.515 0.841 ( -1.850 2.015 -0.388) 2.763 0.911 ( -2.378 2.800 3.438) 5.031 0.928 ( -0.414 2.117 -1.259) 2.498 0.958 ( 0.583 3.005 1.188) 3.284 0.969 ( 0.662 1.717 -0.189) 1.850 0.977 ( 1.132 0.245 -1.882) 2.210 1.028 ( 0.328 1.603 1.834) 2.458 1.040 ( 0.960 2.527 -1.257) 2.981 1.076 ( 1.228 1.699 -0.559) 2.170 1.112 ( 2.333 1.566 -3.864) 4.777 1.131 ( -0.041 1.601 1.628) 2.284 1.151 ( 0.908 1.210 -0.110) 1.517 1.165 ( -1.077 1.199 1.566) 2.247 1.183 ( 0.166 0.371 0.650) 0.766 1.215 ( -0.381 1.711 -0.247) 1.770 1.248 ( -0.218 2.476 -1.721) 3.023 1.279 ( -0.853 0.583 -1.125) 1.527 1.292 ( -0.131 1.411 1.560) 2.107 1.453 ( -1.547 0.041 -0.428) 1.606 1.519 ( -0.356 0.768 -1.196) 1.465 1.548 ( 0.957 0.677 0.912) 1.485 1.569 ( 0.529 0.193 0.278) 0.628 1.612 ( -0.813 -0.046 2.288) 2.428 1.643 ( -0.179 0.218 -1.674) 1.697 1.689 ( -1.186 -0.262 3.406) 3.617 1.710 ( 0.856 -0.247 -1.424) 1.680 1.804 ( 2.003 4.659 0.140) 5.073 1.873 ( 3.752 3.768 -1.229) 5.457 1.914 ( 0.000 4.581 -2.158) 5.064 1.985 ( 3.045 4.763 1.356) 5.814 2.164 ( -1.667 4.773 -1.636) 5.314 2.212 ( 1.272 4.846 1.234) 5.160 2.239 ( -1.822 -1.697 -1.822) 3.086 2.293 ( 0.501 -0.605 1.590) 1.773 2.391 ( -2.599 1.019 0.464) 2.830 2.469 ( 0.499 -0.095 -0.030) 0.509 2.599 ( -1.354 1.347 -0.348) 1.941 2.608 ( -1.300 0.831 0.639) 1.670 2.839 ( -1.992 -3.551 -1.136) 4.227 2.869 ( -0.551 -4.350 1.298) 4.572 2.975 ( -2.179 -0.836 0.957) 2.523 3.012 ( -0.124 -1.893 -1.032) 2.159 3.636 ( -0.728 0.361 1.208) 1.455 3.705 ( 1.829 -0.062 -3.057) 3.563 3.908 ( -1.813 1.013 -0.715) 2.196 3.966 ( -1.537 -0.533 2.423) 2.918 4.277 ( -3.085 -5.455 0.914) 6.333 4.351 ( -0.431 -2.272 -1.037) 2.534 4.400 ( 1.745 -1.859 3.212) 4.101 4.409 ( 3.555 -5.654 -1.563) 6.860 4.757 ( -2.012 2.136 0.848) 3.054 4.895 ( 0.714 1.240 -0.677) 1.583 5.067 ( -0.923 0.249 -2.626) 2.795 5.229 ( 3.878 1.182 0.751) 4.123 5.511 ( 0.015 1.779 -0.799) 1.950 5.515 ( -0.044 1.584 0.652) 1.713 5.627 ( -0.087 3.360 -0.107) 3.362 5.629 ( -0.013 3.359 0.299) 3.372 5.873 ( -2.186 1.440 0.662) 2.700 5.897 ( -1.285 1.549 -0.482) 2.070 6.034 ( 2.908 0.250 -1.482) 3.273 6.038 ( 2.642 0.842 1.015) 2.952 6.147 ( -0.640 -0.033 -0.025) 0.641 6.160 ( -0.186 -0.125 0.346) 0.412 6.177 ( -0.285 0.175 -0.054) 0.339 6.194 ( 0.568 -0.002 0.290) 0.638 7.016 ( -2.194 -0.180 -0.275) 2.219 7.255 ( 1.656 -2.012 2.318) 3.488 7.292 ( 1.168 0.048 -1.182) 1.663 7.312 ( 1.706 -3.447 0.350) 3.862 7.601 ( -1.858 2.930 0.555) 3.513 7.676 ( 1.203 0.307 -2.213) 2.538 7.728 ( -0.573 1.363 -0.964) 1.765 7.754 ( -1.099 0.814 1.771) 2.238 7.900 ( -3.926 -2.774 -0.980) 4.906 8.196 ( 4.007 -5.014 -0.380) 6.430 8.263 ( -2.611 -0.567 -1.677) 3.154 8.358 ( 0.557 -1.857 0.617) 2.034 8.488 ( -4.713 0.477 2.493) 5.353 8.551 ( -1.373 2.267 -1.014) 2.837 8.592 ( -1.625 -0.035 -1.346) 2.110 8.683 ( -2.185 1.153 2.079) 3.229 8.736 ( 0.143 -0.605 2.171) 2.258 8.791 ( 1.047 -1.490 1.404) 2.299 8.812 ( 7.452 -0.232 -1.932) 7.701 8.918 ( 4.834 1.140 -1.771) 5.273 9.155 ( 0.837 -2.689 -2.071) 3.496 9.180 ( 1.925 -3.445 0.975) 4.065 9.367 ( -3.672 -1.018 3.559) 5.214 9.416 ( -0.169 -1.288 -2.626) 2.930======================= Grid point 77 (34/56) =======================q-point: ( 0.40 0.17 -0.67)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 91Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.567 ( 4.489 7.358 0.389) 8.628 0.624 ( -0.534 6.309 4.595) 7.823 0.675 ( 3.977 5.725 0.253) 6.975 0.695 ( -3.388 3.842 0.471) 5.145 0.739 ( 0.698 3.711 3.923) 5.445 0.796 ( -1.090 2.331 -0.330) 2.595 0.855 ( 1.332 4.364 1.117) 4.698 0.883 ( -3.741 1.481 2.587) 4.783 0.924 ( -0.985 1.709 1.157) 2.287 0.952 ( -0.950 -0.051 0.113) 0.958 0.960 ( 1.182 1.610 -2.313) 3.056 1.002 ( 0.929 2.561 1.309) 3.022 1.027 ( -0.152 1.001 -0.720) 1.243 1.059 ( 1.038 2.320 -2.054) 3.268 1.092 ( 0.404 0.408 -2.499) 2.564 1.105 ( 1.262 1.458 0.139) 1.933 1.126 ( 0.542 1.272 -0.786) 1.591 1.143 ( -1.039 1.754 -1.654) 2.625 1.164 ( 0.145 1.262 -0.444) 1.345 1.203 ( 0.492 1.218 -0.339) 1.356 1.225 ( 1.303 1.820 0.905) 2.414 1.236 ( 0.589 2.385 -0.306) 2.475 1.257 ( -0.694 0.442 1.703) 1.891 1.312 ( -0.729 1.603 1.331) 2.208 1.444 ( 0.290 -1.910 -0.100) 1.934 1.487 ( 0.037 1.304 -2.744) 3.038 1.570 ( -0.052 1.675 0.361) 1.714 1.573 ( 0.085 0.488 0.621) 0.794 1.619 ( -1.546 0.465 0.517) 1.696 1.640 ( 0.431 -0.538 2.754) 2.838 1.694 ( 1.210 -0.521 -3.265) 3.521 1.700 ( -1.791 -0.294 2.396) 3.006 1.874 ( 3.724 3.666 -0.246) 5.232 1.895 ( 0.967 4.253 -2.228) 4.897 1.903 ( 0.550 4.998 0.117) 5.029 2.058 ( 1.797 5.154 -0.482) 5.480 2.095 ( -1.766 6.502 -0.122) 6.739 2.218 ( 0.462 0.646 0.292) 0.846 2.226 ( 0.817 4.416 -1.557) 4.753 2.296 ( -2.688 0.320 0.931) 2.862 2.378 ( 1.030 -1.780 0.575) 2.136 2.452 ( -2.100 -2.828 -0.474) 3.555 2.574 ( -0.303 1.197 -0.476) 1.323 2.591 ( -1.232 1.385 0.192) 1.863 2.815 ( -0.312 -2.678 1.679) 3.176 2.880 ( -0.745 -3.281 2.584) 4.242 2.936 ( -1.983 -0.670 -1.205) 2.415 2.986 ( -0.036 -2.117 -2.569) 3.329 3.653 ( 0.777 -0.784 0.749) 1.334 3.695 ( 0.961 -0.805 -2.198) 2.531 3.898 ( 1.229 1.400 0.087) 1.865 3.937 ( -3.657 1.118 1.126) 3.986 4.253 ( -1.194 -4.778 1.655) 5.196 4.329 ( -0.006 -2.446 -2.078) 3.210 4.441 ( 1.298 -4.609 -0.381) 4.803 4.443 ( -0.547 -2.804 1.537) 3.244 4.774 ( 2.348 1.604 0.867) 2.973 4.852 ( -3.973 0.840 -0.144) 4.063 5.095 ( 3.882 -0.203 1.465) 4.154 5.253 ( -0.089 0.426 -2.346) 2.386 5.509 ( 0.583 1.711 -0.250) 1.824 5.517 ( -0.428 1.531 0.285) 1.615 5.624 ( 0.067 3.531 -0.136) 3.534 5.631 ( -0.267 3.185 0.066) 3.197 5.853 ( -1.007 1.782 0.855) 2.218 5.876 ( -0.342 1.382 -0.582) 1.538 6.062 ( 1.941 1.560 -0.811) 2.619 6.075 ( 0.125 1.035 0.224) 1.067 6.142 ( 0.363 -0.496 0.179) 0.640 6.166 ( -0.351 -0.630 -0.169) 0.741 6.172 ( 0.005 -0.096 0.850) 0.855 6.201 ( 0.056 0.302 -0.259) 0.402 7.053 ( 6.051 -2.828 -0.201) 6.682 7.199 ( -7.096 -3.884 -0.600) 8.112 7.308 ( 0.524 -1.290 0.464) 1.468 7.330 ( -1.054 -2.776 0.579) 3.025 7.585 ( -1.342 2.243 1.575) 3.052 7.654 ( 0.314 0.450 -2.621) 2.678 7.720 ( 0.290 1.042 -0.072) 1.084 7.748 ( 0.035 0.282 0.169) 0.331 7.933 ( 4.829 0.906 1.792) 5.229 8.122 ( -4.551 -0.368 -2.289) 5.108 8.293 ( 1.960 -3.158 0.184) 3.721 8.354 ( -0.439 -2.038 -1.028) 2.324 8.441 ( -2.389 2.566 1.523) 3.822 8.526 ( -1.490 1.712 -3.203) 3.925 8.558 ( 1.171 1.582 1.116) 2.263 8.643 ( -2.562 1.882 -1.024) 3.340 8.786 ( 0.863 -1.705 2.887) 3.462 8.827 ( -0.197 -2.516 2.397) 3.481 8.915 ( 3.814 -0.638 0.404) 3.888 8.966 ( 2.807 -0.056 -1.051) 2.998 9.157 ( 1.843 -2.587 -1.239) 3.409 9.205 ( 0.410 -3.770 -1.018) 3.927 9.337 ( -4.273 -1.056 3.281) 5.490 9.385 ( 0.936 -1.174 -2.579) 2.984======================= Grid point 78 (35/56) =======================q-point: (-0.40 0.17 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 91Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.592 ( -4.665 6.220 -1.166) 7.862 0.631 ( -0.342 8.492 3.906) 9.354 0.662 ( 0.981 5.120 1.412) 5.401 0.749 ( 2.219 6.313 -1.358) 6.829 0.766 ( -0.767 3.872 -0.780) 4.023 0.805 ( 2.498 2.520 -0.251) 3.558 0.862 ( -2.339 2.371 1.667) 3.725 0.902 ( 1.479 2.661 0.207) 3.051 0.920 ( -2.523 1.431 4.751) 5.567 0.931 ( -1.039 -0.023 -0.416) 1.119 0.970 ( 1.649 -0.260 -0.062) 1.671 1.012 ( 1.214 1.657 -2.358) 3.127 1.031 ( -0.094 2.038 0.120) 2.044 1.049 ( 0.173 1.176 -1.709) 2.082 1.070 ( 0.406 2.077 0.825) 2.271 1.084 ( 0.212 1.534 -3.471) 3.801 1.108 ( -2.834 2.415 1.029) 3.863 1.136 ( -0.413 2.273 -0.039) 2.310 1.176 ( -0.253 1.016 1.371) 1.725 1.199 ( -0.686 1.391 -2.506) 2.948 1.217 ( 0.300 1.063 0.853) 1.396 1.239 ( 0.187 2.240 -0.017) 2.248 1.288 ( -1.424 0.814 -0.024) 1.641 1.316 ( 2.101 0.421 1.417) 2.569 1.447 ( 0.241 -0.827 -0.230) 0.892 1.471 ( 1.614 0.233 -1.975) 2.562 1.569 ( -0.627 1.413 0.616) 1.664 1.575 ( -0.516 1.198 -0.488) 1.393 1.599 ( -2.821 -0.019 2.990) 4.111 1.663 ( 0.511 -0.246 -3.126) 3.177 1.688 ( -0.388 -0.470 3.691) 3.740 1.698 ( -0.559 -0.508 0.536) 0.926 1.851 ( -1.600 2.989 -1.324) 3.640 1.892 ( 1.723 2.952 -2.837) 4.442 1.946 ( -2.080 3.766 2.066) 4.772 2.014 ( 2.570 5.196 -1.620) 6.019 2.161 ( 0.076 6.069 -0.166) 6.072 2.163 ( -0.365 6.852 -0.729) 6.901 2.208 ( -4.993 0.194 1.415) 5.194 2.316 ( 5.105 -0.744 -0.233) 5.164 2.402 ( -1.833 -3.268 -0.896) 3.853 2.427 ( 2.280 -1.916 1.100) 3.175 2.575 ( 0.172 2.310 -0.548) 2.381 2.588 ( 1.578 1.743 0.423) 2.389 2.857 ( -0.255 -0.050 1.180) 1.208 2.886 ( 1.913 -0.972 -0.098) 2.148 2.920 ( -0.075 -3.596 2.548) 4.408 2.956 ( 0.686 -3.160 -3.193) 4.544 3.644 ( -2.339 -1.121 0.849) 2.729 3.704 ( 2.593 -0.638 -2.457) 3.629 3.892 ( -2.532 1.343 0.713) 2.954 3.944 ( 3.484 1.646 0.568) 3.895 4.273 ( 0.227 -3.914 2.634) 4.724 4.302 ( 0.446 -2.503 -2.643) 3.667 4.419 ( -2.580 -3.818 1.031) 4.722 4.470 ( 1.725 -4.169 -0.221) 4.517 4.772 ( -3.716 1.470 0.892) 4.094 4.853 ( 4.315 0.936 -0.144) 4.418 5.171 ( -2.884 -1.115 -2.907) 4.244 5.186 ( 0.988 0.285 1.550) 1.860 5.507 ( -0.751 1.845 -0.023) 1.992 5.521 ( 0.751 1.594 -0.070) 1.763 5.623 ( -0.308 3.272 0.028) 3.286 5.629 ( 0.389 3.054 0.052) 3.079 5.857 ( 0.124 1.469 0.807) 1.681 5.874 ( 1.113 1.623 -0.673) 2.080 6.054 ( -2.144 1.792 -0.142) 2.798 6.080 ( 0.521 1.271 -0.212) 1.390 6.148 ( -0.775 -0.373 -0.301) 0.911 6.159 ( 0.817 -1.030 0.348) 1.360 6.184 ( -0.498 -0.153 0.859) 1.004 6.191 ( -0.315 0.395 -0.423) 0.659 7.054 ( -6.389 -2.765 -0.249) 6.966 7.183 ( 6.655 -3.450 0.301) 7.502 7.320 ( -0.203 -1.134 -0.230) 1.175 7.329 ( 1.317 -2.475 0.645) 2.877 7.598 ( 0.180 1.656 1.994) 2.599 7.634 ( 1.739 1.231 -2.638) 3.391 7.732 ( -1.060 0.691 -0.863) 1.532 7.738 ( 0.586 0.673 0.832) 1.220 7.978 ( -5.374 -0.922 0.123) 5.454 8.085 ( 5.731 -0.643 -1.397) 5.934 8.305 ( -2.385 -2.414 0.217) 3.400 8.331 ( 0.450 -1.849 0.089) 1.905 8.449 ( -0.179 2.682 2.235) 3.496 8.494 ( 2.650 2.464 -2.301) 4.288 8.584 ( -1.384 1.777 -0.719) 2.365 8.615 ( 2.774 1.985 0.631) 3.469 8.805 ( -2.724 -1.367 2.720) 4.085 8.834 ( -1.089 -2.669 0.405) 2.911 8.930 ( -2.510 -0.541 0.944) 2.736 8.976 ( -0.167 -2.187 -2.448) 3.286 9.162 ( -1.744 -3.193 -1.109) 3.803 9.196 ( 2.348 -2.383 -1.336) 3.602 9.311 ( -3.185 -1.067 3.938) 5.176 9.398 ( 3.321 -0.866 -2.004) 3.974======================= Grid point 79 (36/56) =======================q-point: (-0.20 0.17 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 91Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.497 ( -5.355 8.198 1.147) 9.858 0.578 ( -4.152 10.100 -5.591) 12.268 0.680 ( 1.497 4.086 -3.636) 5.671 0.764 ( -0.071 1.098 -0.756) 1.335 0.801 ( -0.306 3.867 0.514) 3.913 0.807 ( -0.337 7.919 1.991) 8.172 0.823 ( 3.989 3.906 -4.339) 7.071 0.888 ( -1.352 2.022 0.962) 2.616 0.919 ( -1.191 1.414 0.680) 1.970 0.956 ( 0.456 0.574 1.342) 1.529 0.998 ( -0.431 2.840 -0.267) 2.885 1.009 ( -0.055 0.936 -1.145) 1.480 1.018 ( 0.472 1.508 0.899) 1.819 1.029 ( -2.019 0.658 1.712) 2.728 1.059 ( -1.409 1.635 0.302) 2.179 1.075 ( 0.751 1.839 -0.747) 2.122 1.094 ( -0.347 2.914 1.510) 3.301 1.123 ( -1.246 2.077 0.896) 2.583 1.171 ( 0.208 2.066 0.637) 2.172 1.195 ( 1.008 0.433 -0.418) 1.174 1.235 ( 0.622 1.113 -0.052) 1.276 1.237 ( 0.170 1.408 -0.791) 1.624 1.265 ( -0.382 0.901 -0.915) 1.340 1.333 ( -0.298 0.201 -0.855) 0.927 1.464 ( 2.639 -0.629 -0.901) 2.859 1.497 ( 2.265 0.272 0.233) 2.293 1.540 ( -2.842 0.310 0.968) 3.018 1.571 ( -0.235 2.180 0.310) 2.214 1.605 ( -1.818 0.597 3.594) 4.071 1.641 ( 0.124 0.136 -0.494) 0.528 1.676 ( -0.588 -0.078 -1.695) 1.796 1.709 ( -1.355 -1.194 1.798) 2.549 1.819 ( -1.504 1.539 -0.055) 2.152 1.883 ( 0.397 2.840 -2.366) 3.717 1.911 ( -0.059 3.541 -1.115) 3.713 2.039 ( -1.851 4.421 -2.267) 5.302 2.115 ( 1.293 6.164 1.392) 6.450 2.163 ( -1.627 0.370 2.330) 2.866 2.208 ( -0.014 5.006 1.641) 5.269 2.353 ( 0.337 -2.638 -1.918) 3.279 2.409 ( 3.078 0.260 -0.374) 3.112 2.459 ( -0.047 0.213 0.572) 0.612 2.589 ( 1.457 1.989 0.050) 2.466 2.621 ( 1.252 1.912 0.118) 2.289 2.840 ( 0.810 -0.822 -1.616) 1.985 2.924 ( 0.569 -4.126 -3.029) 5.150 2.959 ( 2.115 -1.681 2.623) 3.765 2.962 ( 0.312 -2.669 2.633) 3.762 3.623 ( -1.055 -0.213 1.201) 1.613 3.712 ( 2.256 -0.229 -2.735) 3.553 3.870 ( -1.590 0.578 1.676) 2.381 4.015 ( 3.515 0.426 -0.629) 3.596 4.296 ( 1.622 -3.212 -0.739) 3.673 4.311 ( 0.350 -3.760 2.115) 4.328 4.386 ( -2.109 -4.909 0.192) 5.346 4.478 ( -0.627 -4.393 -1.842) 4.805 4.755 ( 1.690 2.740 1.028) 3.379 4.893 ( -1.857 0.212 -0.708) 1.999 5.065 ( 0.038 1.422 -2.863) 3.197 5.213 ( -2.394 0.311 1.961) 3.110 5.496 ( -0.405 2.064 0.302) 2.125 5.529 ( 0.427 1.267 -0.428) 1.404 5.621 ( -0.073 3.465 0.199) 3.472 5.636 ( 0.242 3.052 -0.093) 3.063 5.875 ( 0.898 1.578 0.738) 1.960 5.896 ( 2.138 1.271 -0.614) 2.562 6.008 ( -2.965 1.524 0.495) 3.370 6.062 ( -1.838 -0.207 -0.864) 2.041 6.141 ( 0.187 0.413 0.050) 0.456 6.167 ( 0.086 -0.562 0.035) 0.570 6.184 ( -0.916 0.087 1.116) 1.446 6.186 ( 0.465 -0.032 -0.676) 0.821 7.009 ( 1.764 -0.165 0.107) 1.775 7.254 ( 1.051 -1.864 1.352) 2.531 7.315 ( 0.323 -0.350 -0.968) 1.079 7.333 ( -3.447 -4.399 -1.430) 5.769 7.625 ( 0.041 0.642 0.133) 0.657 7.637 ( 0.836 2.640 -0.874) 2.904 7.712 ( -0.705 1.094 0.349) 1.348 7.769 ( 3.218 0.481 0.434) 3.283 7.904 ( 1.664 -2.030 -1.694) 3.124 8.165 ( 0.410 -2.774 2.415) 3.701 8.239 ( -2.754 -2.285 -0.223) 3.585 8.345 ( -0.335 -0.506 0.981) 1.154 8.483 ( 0.793 1.717 2.959) 3.512 8.551 ( 1.310 0.262 -1.565) 2.058 8.566 ( 4.412 3.407 0.288) 5.582 8.696 ( 4.308 1.447 1.623) 4.826 8.759 ( -5.252 -0.598 0.864) 5.356 8.795 ( -1.960 -1.489 -2.110) 3.242 8.874 ( -4.630 -1.713 0.113) 4.938 8.894 ( -3.740 -1.693 -3.004) 5.087 9.128 ( -0.788 -2.597 0.030) 2.714 9.204 ( 0.276 -2.104 -1.577) 2.644 9.330 ( -0.962 -1.249 4.588) 4.851 9.434 ( 3.057 -0.931 -1.958) 3.747======================= Grid point 80 (37/56) =======================q-point: ( 0.00 0.25 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.627 ( -1.149 6.879 1.520) 7.138 0.696 ( 2.206 8.031 -0.120) 8.329 0.698 ( 1.366 6.899 -5.582) 8.979 0.758 ( -3.175 7.571 -4.088) 9.171 0.863 ( 0.447 1.473 1.946) 2.481 0.894 ( -0.985 1.105 -1.010) 1.792 0.944 ( 0.372 1.049 1.132) 1.588 0.949 ( 0.710 2.331 -0.002) 2.437 0.974 ( 0.172 3.419 0.947) 3.552 0.980 ( 1.068 2.379 1.146) 2.848 1.005 ( -0.704 1.732 -0.910) 2.079 1.032 ( -0.171 2.616 -2.119) 3.370 1.053 ( -0.571 0.995 2.122) 2.412 1.083 ( -1.148 2.624 0.995) 3.032 1.100 ( 0.418 2.506 1.242) 2.828 1.135 ( -0.746 0.910 1.079) 1.596 1.142 ( 1.589 1.984 -0.574) 2.606 1.155 ( 1.088 2.314 1.146) 2.802 1.202 ( 0.255 0.261 -1.170) 1.225 1.213 ( -0.124 2.367 -2.095) 3.163 1.262 ( -1.230 1.746 0.751) 2.264 1.285 ( 0.985 1.050 -0.075) 1.442 1.288 ( 0.274 2.440 -0.112) 2.457 1.309 ( -0.850 -0.174 -0.928) 1.270 1.518 ( -0.016 0.108 1.069) 1.075 1.538 ( -1.462 1.567 -0.246) 2.157 1.545 ( 2.157 1.669 0.281) 2.742 1.572 ( -0.861 0.082 -2.045) 2.220 1.609 ( -0.537 0.092 1.010) 1.148 1.643 ( 0.942 -0.882 -0.583) 1.415 1.666 ( -0.130 -0.508 2.074) 2.139 1.696 ( -1.373 0.350 0.652) 1.559 1.863 ( 1.276 2.816 2.684) 4.094 1.902 ( -0.030 1.955 -1.484) 2.455 1.972 ( 1.561 0.717 1.205) 2.098 2.017 ( -1.634 0.656 -2.424) 2.996 2.202 ( 0.972 -1.194 2.944) 3.322 2.250 ( 0.734 3.901 1.822) 4.368 2.271 ( -1.812 0.524 -1.622) 2.488 2.280 ( 0.075 0.379 -1.502) 1.551 2.471 ( -1.798 2.376 0.564) 3.032 2.484 ( 1.664 2.278 -0.175) 2.826 2.664 ( -0.047 3.416 0.175) 3.420 2.681 ( -0.055 3.402 -0.930) 3.527 2.784 ( -0.363 -2.979 -1.378) 3.302 2.811 ( 0.737 -3.430 -3.072) 4.663 2.934 ( -0.706 -3.195 2.379) 4.046 2.963 ( 0.569 -2.899 0.153) 2.959 3.649 ( -1.089 1.665 3.322) 3.872 3.735 ( 2.373 1.077 -4.038) 4.805 3.864 ( -0.860 -2.414 4.364) 5.061 3.967 ( -0.551 -3.439 -4.470) 5.667 4.220 ( -2.837 -5.073 0.835) 5.872 4.246 ( 3.463 -5.216 -1.251) 6.385 4.307 ( 0.919 -2.028 1.662) 2.779 4.346 ( -1.633 -2.884 -0.937) 3.444 4.843 ( -3.192 1.842 0.962) 3.809 4.868 ( 3.333 1.728 -0.600) 3.802 5.164 ( 3.212 1.337 0.515) 3.517 5.167 ( -3.090 0.896 0.255) 3.227 5.546 ( 0.153 2.319 0.471) 2.371 5.555 ( 0.116 1.576 -0.238) 1.599 5.690 ( -0.207 3.326 0.088) 3.334 5.697 ( -0.153 3.251 -0.510) 3.294 5.913 ( -1.976 0.660 1.267) 2.439 5.947 ( 2.715 0.415 -1.754) 3.259 6.005 ( -0.877 1.150 0.709) 1.611 6.017 ( 0.287 0.252 -0.220) 0.440 6.147 ( -0.130 -0.241 0.448) 0.525 6.160 ( 0.369 -0.554 0.136) 0.679 6.183 ( -0.594 0.457 0.196) 0.775 6.191 ( 0.222 0.647 -0.590) 0.903 7.073 ( -0.366 -1.820 1.789) 2.578 7.129 ( 0.466 -4.118 -3.099) 5.175 7.232 ( -1.146 -2.664 1.111) 3.105 7.258 ( 0.862 -3.856 -1.158) 4.117 7.687 ( -0.397 3.252 1.730) 3.705 7.717 ( 1.590 3.742 -0.996) 4.186 7.753 ( -0.107 1.978 1.695) 2.607 7.797 ( -1.122 1.526 -2.048) 2.790 7.944 ( 3.409 -3.115 1.376) 4.818 7.976 ( -3.199 -3.370 -1.454) 4.869 8.256 ( 1.140 -2.074 3.346) 4.098 8.318 ( -1.090 -1.752 -1.962) 2.848 8.528 ( -1.612 0.853 1.295) 2.237 8.561 ( 2.101 -0.411 -1.130) 2.421 8.684 ( -2.997 1.755 0.716) 3.546 8.703 ( 3.455 1.743 0.357) 3.886 8.734 ( 0.026 -0.517 -1.028) 1.151 8.740 ( -1.688 0.743 -2.188) 2.862 8.836 ( -0.109 2.777 2.301) 3.608 8.867 ( 0.534 0.791 -0.116) 0.961 9.087 ( 0.133 -2.062 1.097) 2.340 9.136 ( 0.768 -1.676 -3.442) 3.905 9.343 ( -1.615 -0.927 4.034) 4.443 9.411 ( 0.971 -1.960 -2.202) 3.104======================= Grid point 81 (38/56) =======================q-point: ( 0.20 0.25 -0.67)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.652 ( 0.686 5.962 1.903) 6.295 0.681 ( 0.547 8.049 -0.247) 8.071 0.697 ( 3.775 7.103 -2.443) 8.407 0.765 ( 0.880 6.641 2.479) 7.143 0.846 ( -1.597 1.121 0.279) 1.971 0.905 ( 0.274 3.456 0.456) 3.497 0.911 ( -2.873 3.031 -0.830) 4.258 0.956 ( 0.052 0.680 0.211) 0.714 0.965 ( -0.978 3.040 0.261) 3.204 0.987 ( 0.188 1.615 -1.863) 2.473 1.011 ( 0.809 1.965 0.609) 2.211 1.019 ( -0.726 2.914 0.431) 3.034 1.073 ( -0.678 2.827 1.057) 3.093 1.081 ( 1.213 1.665 1.007) 2.293 1.104 ( 0.400 1.460 -1.553) 2.169 1.140 ( 0.270 0.449 -0.289) 0.599 1.163 ( 0.932 1.475 -1.515) 2.311 1.170 ( -0.106 0.980 -1.930) 2.167 1.189 ( -1.016 1.178 0.259) 1.577 1.205 ( 1.848 2.528 1.832) 3.628 1.257 ( -0.782 2.482 0.332) 2.623 1.273 ( -0.726 0.680 -0.017) 0.995 1.304 ( 0.283 1.591 -1.386) 2.129 1.312 ( 1.542 1.019 1.611) 2.452 1.462 ( -4.553 0.576 0.270) 4.597 1.526 ( -0.105 -0.107 -0.152) 0.214 1.567 ( 1.945 -0.165 -0.627) 2.050 1.574 ( 0.605 1.703 0.271) 1.827 1.616 ( -0.490 0.019 1.281) 1.372 1.645 ( 0.335 0.004 -0.772) 0.842 1.675 ( -0.542 -1.177 0.339) 1.340 1.709 ( 0.137 0.173 0.863) 0.891 1.891 ( 2.841 3.574 -0.907) 4.654 1.942 ( 3.804 2.591 -1.382) 4.806 1.974 ( 0.156 1.179 -1.878) 2.224 2.046 ( 3.729 0.944 2.564) 4.623 2.199 ( -1.941 -2.190 -2.084) 3.592 2.247 ( -0.129 3.366 -0.500) 3.405 2.279 ( 1.600 -0.631 1.478) 2.268 2.298 ( 1.858 3.849 1.033) 4.397 2.425 ( -3.872 2.081 0.450) 4.419 2.481 ( -1.850 1.801 -0.552) 2.640 2.636 ( -2.949 1.527 0.052) 3.321 2.653 ( -2.125 3.692 0.248) 4.268 2.757 ( -1.761 -4.674 0.517) 5.021 2.807 ( 1.039 -0.766 -0.307) 1.327 2.937 ( -1.497 -2.928 1.048) 3.452 2.960 ( 0.078 -3.420 -1.228) 3.634 3.660 ( -1.699 1.854 2.391) 3.470 3.710 ( 1.139 0.520 -3.991) 4.183 3.899 ( -0.290 -1.565 -0.930) 1.844 3.931 ( -0.115 -2.996 2.792) 4.097 4.170 ( -3.163 -5.118 0.801) 6.069 4.280 ( 1.585 -5.036 -2.014) 5.651 4.325 ( 1.122 -2.757 -0.800) 3.082 4.352 ( 1.028 -2.641 2.052) 3.499 4.814 ( -1.047 3.349 0.791) 3.597 4.917 ( 1.985 0.765 -0.565) 2.201 5.079 ( -3.450 1.117 -0.691) 3.691 5.242 ( 2.884 0.046 -0.024) 2.885 5.549 ( -0.062 2.000 -0.577) 2.082 5.551 ( -0.038 2.029 0.148) 2.035 5.691 ( -0.029 3.195 0.251) 3.205 5.694 ( 0.059 3.189 0.350) 3.208 5.889 ( -1.668 0.358 0.880) 1.919 5.940 ( -0.937 2.479 -1.069) 2.858 6.026 ( 3.136 -0.853 -0.169) 3.254 6.060 ( 2.798 1.188 0.085) 3.041 6.144 ( -0.760 -0.266 0.233) 0.838 6.156 ( -0.298 -0.058 -0.231) 0.381 6.176 ( -0.453 -0.225 -0.128) 0.522 6.200 ( 0.739 0.617 0.352) 1.025 6.998 ( -3.443 -1.557 0.091) 3.779 7.174 ( 0.413 -5.497 -0.222) 5.517 7.228 ( -1.026 -4.340 1.307) 4.648 7.267 ( 1.544 -2.729 -0.752) 3.224 7.668 ( -2.114 3.333 0.210) 3.952 7.712 ( -0.704 2.940 -1.245) 3.269 7.761 ( -1.067 1.366 0.032) 1.733 7.771 ( -0.758 1.535 0.251) 1.730 7.887 ( 1.312 1.161 -0.091) 1.754 8.096 ( 5.856 -4.645 0.616) 7.500 8.242 ( -2.815 -1.562 -2.117) 3.853 8.312 ( 0.230 -2.553 1.859) 3.167 8.506 ( -2.356 1.242 1.041) 2.860 8.560 ( -0.116 -0.141 -1.645) 1.655 8.641 ( -2.258 3.278 0.014) 3.980 8.710 ( -0.489 1.647 1.157) 2.071 8.736 ( -0.679 0.484 0.866) 1.202 8.758 ( 1.901 -1.773 -0.544) 2.655 8.845 ( 3.482 2.664 -0.117) 4.386 8.931 ( 3.774 0.416 -0.308) 3.809 9.112 ( 0.749 -3.011 1.020) 3.266 9.118 ( 1.509 -1.242 -2.356) 3.061 9.345 ( -3.466 -1.202 3.529) 5.091 9.386 ( -0.225 -1.588 -2.613) 3.066======================= Grid point 82 (39/56) =======================q-point: ( 0.40 0.25 -0.67)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.683 ( 1.478 4.627 1.360) 5.045 0.728 ( 0.157 3.328 4.112) 5.292 0.752 ( 0.269 5.082 -1.141) 5.216 0.787 ( 4.109 4.241 0.716) 5.949 0.839 ( -2.518 3.552 2.362) 4.954 0.851 ( -1.321 4.427 -0.191) 4.624 0.920 ( -1.286 2.078 0.562) 2.507 0.939 ( 0.571 2.605 -0.838) 2.796 0.961 ( 0.758 1.983 -0.341) 2.150 0.981 ( -1.385 3.629 0.336) 3.899 0.993 ( -1.112 2.674 -0.139) 2.899 1.027 ( 0.584 0.409 -0.416) 0.825 1.069 ( -0.764 2.638 0.239) 2.757 1.084 ( 0.887 0.863 -2.492) 2.783 1.105 ( -0.430 0.735 -0.875) 1.221 1.146 ( 0.732 1.529 0.666) 1.821 1.149 ( 0.219 1.410 0.336) 1.466 1.166 ( 0.460 0.822 -0.775) 1.219 1.182 ( 0.484 1.033 -0.345) 1.192 1.236 ( -0.869 1.829 0.252) 2.040 1.257 ( -1.431 0.686 1.303) 2.054 1.275 ( 1.864 2.937 -0.002) 3.479 1.288 ( 0.417 1.846 0.295) 1.916 1.341 ( -0.166 0.981 0.068) 0.997 1.434 ( -0.692 1.206 1.882) 2.340 1.517 ( 1.010 1.228 -2.474) 2.941 1.578 ( 0.446 0.176 -0.226) 0.529 1.600 ( -0.285 0.903 1.416) 1.704 1.622 ( -0.665 0.086 -0.491) 0.831 1.632 ( 0.462 -0.615 0.939) 1.214 1.678 ( 0.299 -0.496 -0.054) 0.581 1.696 ( -1.412 -0.167 -0.203) 1.437 1.926 ( 2.439 1.387 -2.755) 3.932 1.950 ( 1.512 1.381 -4.058) 4.545 1.994 ( 1.459 3.148 2.139) 4.076 2.134 ( -1.732 1.201 -3.234) 3.860 2.157 ( 4.413 0.216 3.278) 5.501 2.253 ( 1.201 4.595 0.453) 4.771 2.303 ( -1.288 0.419 -0.099) 1.358 2.336 ( 2.173 4.419 -1.217) 5.073 2.358 ( -2.425 0.138 -0.660) 2.518 2.410 ( -4.720 -0.240 -0.495) 4.752 2.607 ( -0.939 1.620 1.649) 2.495 2.629 ( -1.316 2.771 1.292) 3.329 2.753 ( -0.543 -3.631 3.097) 4.803 2.834 ( 0.635 -0.503 2.024) 2.180 2.906 ( -1.777 -2.458 -1.377) 3.331 2.940 ( 0.233 -2.847 -2.333) 3.688 3.656 ( -1.472 0.961 1.246) 2.155 3.691 ( 1.936 0.292 -3.018) 3.597 3.900 ( 1.178 -1.045 0.257) 1.595 3.941 ( -2.282 -0.986 1.648) 2.983 4.152 ( -1.152 -5.079 2.724) 5.877 4.263 ( 0.572 -4.187 -2.948) 5.153 4.348 ( 1.945 -3.830 -0.595) 4.336 4.371 ( -1.114 -4.216 0.604) 4.402 4.831 ( 2.074 3.499 0.465) 4.094 4.891 ( -3.748 2.478 0.034) 4.493 5.084 ( 2.539 -0.712 1.811) 3.199 5.246 ( -0.419 -1.125 -3.076) 3.302 5.546 ( 0.255 2.005 -0.136) 2.026 5.552 ( 0.021 1.900 0.019) 1.900 5.693 ( -0.008 3.560 0.100) 3.561 5.697 ( -0.368 3.250 0.184) 3.276 5.881 ( -0.611 1.087 0.955) 1.570 5.916 ( -0.170 2.592 -1.123) 2.830 6.075 ( 1.865 -0.150 0.292) 1.893 6.095 ( 1.152 0.693 -0.241) 1.366 6.133 ( -0.240 -0.315 -0.146) 0.423 6.152 ( -0.203 -0.621 -0.462) 0.801 6.170 ( -0.419 0.072 1.184) 1.258 6.211 ( 0.289 0.702 -0.293) 0.813 6.999 ( 3.233 -2.742 0.281) 4.248 7.107 ( -6.281 -4.983 -0.278) 8.022 7.232 ( -0.548 -5.141 1.620) 5.418 7.275 ( 0.449 -3.644 -0.930) 3.787 7.648 ( -0.103 3.767 0.035) 3.768 7.691 ( -0.690 3.279 -0.874) 3.463 7.746 ( -0.047 1.309 0.223) 1.329 7.772 ( 0.358 2.010 0.223) 2.054 7.955 ( 4.511 1.436 0.877) 4.815 8.099 ( -3.523 -1.647 -2.237) 4.486 8.234 ( 2.521 -2.792 0.861) 3.859 8.312 ( -1.509 -2.312 -0.084) 2.762 8.486 ( -1.109 2.051 1.228) 2.635 8.538 ( -0.376 0.259 -1.238) 1.320 8.616 ( 0.038 3.360 -0.036) 3.361 8.681 ( -1.868 1.902 -1.162) 2.908 8.760 ( 0.828 -0.849 1.609) 1.999 8.784 ( 0.476 -1.848 0.706) 2.035 8.917 ( 2.667 0.901 0.812) 2.929 8.968 ( 1.337 0.148 -0.850) 1.591 9.127 ( 3.413 -0.683 -2.459) 4.262 9.132 ( -0.798 -3.357 0.948) 3.578 9.315 ( -4.382 -1.290 3.231) 5.595 9.357 ( 0.977 -1.530 -2.440) 3.041======================= Grid point 83 (40/56) =======================q-point: (-0.40 0.25 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.702 ( -2.714 5.010 0.071) 5.699 0.720 ( -0.043 3.150 1.209) 3.374 0.784 ( 0.136 5.564 2.709) 6.190 0.805 ( -2.255 1.519 -0.729) 2.815 0.858 ( 3.436 2.813 -1.655) 4.739 0.875 ( 3.667 3.326 -0.267) 4.958 0.904 ( -1.716 2.192 2.099) 3.487 0.932 ( 0.141 1.589 -2.341) 2.833 0.955 ( -2.153 2.431 2.757) 4.260 0.961 ( -1.663 2.535 -0.062) 3.033 0.993 ( 1.470 2.465 -0.190) 2.876 1.030 ( 1.262 0.359 -1.215) 1.789 1.063 ( -0.116 1.425 -0.267) 1.455 1.075 ( 1.310 2.005 -1.227) 2.691 1.103 ( -0.739 1.498 1.666) 2.359 1.132 ( 0.564 2.112 -1.851) 2.865 1.151 ( -1.071 1.599 0.427) 1.971 1.171 ( 0.066 0.940 -0.360) 1.009 1.207 ( 0.254 2.427 1.805) 3.035 1.220 ( -1.340 0.595 -1.374) 2.010 1.250 ( 0.241 1.803 1.184) 2.171 1.287 ( 1.164 1.777 -1.443) 2.568 1.312 ( -1.635 1.891 0.135) 2.503 1.329 ( 0.828 1.264 0.676) 1.655 1.450 ( -0.709 1.322 2.553) 2.961 1.501 ( 1.472 2.383 -3.421) 4.422 1.584 ( -1.160 -0.511 0.337) 1.311 1.594 ( 0.282 0.420 -0.662) 0.833 1.604 ( -1.487 0.816 2.441) 2.973 1.652 ( 0.772 -0.668 -2.344) 2.557 1.675 ( -0.590 -0.839 2.254) 2.476 1.690 ( -0.182 -0.200 0.501) 0.570 1.901 ( -1.568 1.739 -2.361) 3.325 1.929 ( 1.535 0.658 -2.409) 2.932 2.014 ( -4.358 2.659 2.220) 5.567 2.095 ( 2.154 2.247 -0.770) 3.206 2.202 ( -4.993 -0.140 -0.483) 5.018 2.272 ( -0.650 3.340 -1.023) 3.553 2.287 ( -0.712 3.894 1.685) 4.302 2.291 ( 1.419 1.071 0.588) 1.873 2.358 ( 0.728 -0.700 -0.342) 1.066 2.411 ( 5.059 1.049 -0.495) 5.190 2.630 ( 0.598 2.946 -0.198) 3.013 2.633 ( 1.404 2.869 0.955) 3.334 2.818 ( 1.363 -3.087 4.767) 5.840 2.844 ( 0.146 -2.862 -3.687) 4.670 2.880 ( -0.108 -1.214 2.659) 2.925 2.912 ( 0.509 -1.734 -3.111) 3.598 3.640 ( -1.802 0.723 1.301) 2.337 3.700 ( 2.679 0.101 -2.769) 3.854 3.899 ( -2.863 -0.677 0.888) 3.073 3.950 ( 2.769 -1.078 0.623) 3.036 4.187 ( 0.190 -4.744 3.691) 6.014 4.233 ( 1.080 -4.290 -4.179) 6.085 4.336 ( -2.621 -3.979 0.172) 4.767 4.374 ( 1.014 -4.535 0.313) 4.657 4.830 ( -2.700 3.579 0.399) 4.501 4.888 ( 3.103 2.086 0.270) 3.749 5.145 ( -1.866 -1.390 0.785) 2.455 5.181 ( 0.945 -0.673 -1.821) 2.159 5.547 ( -0.261 2.227 -0.156) 2.248 5.552 ( 0.285 1.575 -0.133) 1.606 5.691 ( -0.256 3.579 0.238) 3.596 5.696 ( 0.241 3.517 0.185) 3.530 5.889 ( -0.021 1.700 1.160) 2.058 5.907 ( 0.913 1.779 -1.316) 2.394 6.084 ( -1.566 0.849 0.057) 1.783 6.089 ( -1.258 -0.112 -0.131) 1.270 6.138 ( 0.366 -0.806 -0.120) 0.894 6.141 ( 0.531 -0.512 -0.545) 0.917 6.185 ( -0.512 0.412 1.921) 2.031 6.203 ( -0.123 0.842 -1.014) 1.324 7.002 ( -3.615 -2.585 0.089) 4.445 7.104 ( 6.748 -4.476 -0.057) 8.098 7.246 ( -0.268 -4.981 1.694) 5.268 7.267 ( 0.378 -4.416 -1.370) 4.639 7.651 ( -0.763 3.442 0.199) 3.532 7.677 ( 1.641 2.988 -0.548) 3.453 7.764 ( 0.267 1.822 0.605) 1.938 7.766 ( -0.305 2.324 -0.674) 2.439 7.973 ( -5.506 0.460 0.152) 5.528 8.066 ( 4.053 -1.036 -0.520) 4.215 8.257 ( -3.075 -2.461 -0.692) 3.998 8.296 ( 2.085 -1.950 1.030) 3.034 8.496 ( -0.154 2.018 1.377) 2.448 8.528 ( 1.952 0.934 -1.544) 2.658 8.629 ( -0.823 2.664 -0.042) 2.788 8.655 ( 1.963 1.947 -0.166) 2.770 8.776 ( -1.225 -1.183 1.197) 2.082 8.786 ( -0.538 -1.915 -0.061) 1.990 8.929 ( -2.746 0.417 1.241) 3.042 8.957 ( -1.209 0.090 -1.331) 1.801 9.107 ( -1.890 -2.309 -0.184) 2.990 9.164 ( 3.415 -0.943 -2.434) 4.299 9.288 ( -2.982 -1.158 3.827) 4.987 9.369 ( 3.053 -1.892 -1.784) 4.010======================= Grid point 84 (41/56) =======================q-point: (-0.20 0.25 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.646 ( -3.232 7.187 1.014) 7.945 0.716 ( -0.880 4.245 -2.747) 5.132 0.760 ( 0.051 1.609 -4.092) 4.397 0.799 ( 1.638 5.605 -0.719) 5.884 0.868 ( -1.316 3.279 -1.204) 3.733 0.909 ( 1.343 3.484 -0.675) 3.795 0.912 ( 0.574 3.107 1.403) 3.457 0.928 ( -0.863 0.111 0.763) 1.157 0.940 ( 1.803 3.270 0.846) 3.829 0.968 ( -0.470 0.512 1.007) 1.224 1.018 ( 0.611 1.330 0.882) 1.709 1.038 ( -0.928 0.988 0.507) 1.447 1.049 ( -0.029 1.784 -0.086) 1.787 1.082 ( -0.805 2.882 1.542) 3.366 1.098 ( -0.489 2.414 -0.200) 2.471 1.129 ( -0.930 2.752 0.983) 3.066 1.143 ( 0.692 2.126 -1.715) 2.818 1.154 ( -1.020 1.366 -0.824) 1.894 1.196 ( 1.739 -0.387 -0.949) 2.019 1.233 ( -1.220 3.927 1.290) 4.310 1.259 ( 1.142 0.801 -0.595) 1.517 1.275 ( 0.116 2.501 0.233) 2.515 1.291 ( -0.665 1.978 -0.977) 2.304 1.340 ( -0.856 0.219 -0.024) 0.884 1.476 ( 3.164 2.047 -0.699) 3.833 1.510 ( 1.604 0.791 0.376) 1.827 1.549 ( -1.884 0.597 0.150) 1.982 1.608 ( -0.123 1.287 -0.055) 1.294 1.614 ( -0.617 0.110 1.958) 2.056 1.638 ( -0.376 -0.440 -0.969) 1.128 1.677 ( -0.494 -0.607 -0.597) 0.984 1.686 ( -0.831 -0.152 2.023) 2.192 1.854 ( -2.910 1.767 1.441) 3.697 1.924 ( -0.153 0.966 -0.972) 1.379 1.965 ( -1.615 1.985 0.278) 2.574 2.087 ( -4.008 0.322 -0.899) 4.121 2.155 ( 1.686 -1.282 0.907) 2.305 2.232 ( -0.746 5.065 0.034) 5.119 2.288 ( -1.163 2.179 1.208) 2.749 2.314 ( -0.822 -0.120 -0.258) 0.870 2.421 ( 4.355 1.049 0.661) 4.528 2.475 ( 1.974 1.646 -0.199) 2.578 2.645 ( 1.934 2.990 -0.691) 3.627 2.670 ( 1.764 3.275 -0.029) 3.720 2.806 ( 1.368 -2.411 -4.152) 4.992 2.847 ( -0.233 -3.137 -2.555) 4.052 2.909 ( -0.304 -2.403 3.137) 3.964 2.929 ( 1.896 -2.060 1.557) 3.204 3.633 ( -1.198 1.366 2.121) 2.793 3.718 ( 3.134 0.423 -2.382) 3.959 3.865 ( -2.344 -0.966 1.167) 2.791 3.995 ( 1.871 -2.586 -1.258) 3.431 4.215 ( 2.388 -4.618 -3.098) 6.051 4.229 ( -0.278 -4.757 2.603) 5.430 4.301 ( -1.735 -3.345 0.591) 3.814 4.380 ( -1.018 -4.708 0.123) 4.818 4.819 ( 0.943 3.388 0.515) 3.554 4.905 ( -2.408 0.815 0.078) 2.544 5.098 ( 2.419 1.823 -2.297) 3.801 5.209 ( -1.643 -0.710 2.373) 2.972 5.541 ( -0.122 2.364 0.050) 2.368 5.554 ( 0.148 1.271 -0.158) 1.289 5.692 ( -0.082 3.699 0.129) 3.703 5.703 ( 0.140 3.507 -0.063) 3.511 5.907 ( 0.379 1.424 1.130) 1.857 5.919 ( 2.122 1.038 -1.062) 2.590 6.033 ( -2.821 0.749 -0.744) 3.012 6.056 ( -2.897 -0.256 0.494) 2.950 6.140 ( 0.483 -0.453 -0.136) 0.676 6.151 ( 0.253 -0.793 0.329) 0.895 6.191 ( -0.097 0.456 -0.469) 0.661 6.194 ( -0.213 1.061 0.464) 1.178 6.999 ( 3.066 -0.924 0.057) 3.203 7.182 ( 1.148 -5.394 -0.483) 5.536 7.250 ( -1.886 -3.888 0.853) 4.404 7.259 ( 0.783 -4.739 -1.258) 4.965 7.657 ( 1.044 2.390 0.649) 2.688 7.704 ( 1.221 3.785 -0.269) 3.986 7.753 ( -0.639 2.632 -0.082) 2.710 7.778 ( 2.718 0.614 0.054) 2.787 7.900 ( -1.645 1.402 -0.862) 2.327 8.090 ( -4.180 -4.100 1.197) 5.976 8.207 ( 0.154 -1.292 0.217) 1.319 8.332 ( 0.667 -1.078 0.130) 1.274 8.518 ( 1.097 1.381 1.244) 2.158 8.546 ( 1.028 -0.416 -1.517) 1.880 8.634 ( 2.820 3.262 0.093) 4.313 8.707 ( 1.089 -0.229 1.409) 1.796 8.752 ( -0.877 -1.244 -0.747) 1.696 8.771 ( -0.360 0.369 -0.581) 0.777 8.856 ( -5.194 1.284 -0.588) 5.382 8.908 ( -3.629 1.237 0.939) 3.947 9.084 ( -0.649 -1.736 0.173) 1.862 9.165 ( 0.923 -1.789 -3.211) 3.790 9.310 ( -0.756 -0.734 4.298) 4.425 9.402 ( 2.736 -2.108 -1.750) 3.872======================= Grid point 85 (42/56) =======================q-point: ( 0.00 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 91Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.753 ( -1.477 5.766 1.361) 6.106 0.800 ( 1.757 4.321 -2.613) 5.347 0.828 ( 0.534 4.569 3.316) 5.670 0.881 ( -1.953 3.183 -0.572) 3.778 0.901 ( 0.948 2.914 -0.592) 3.121 0.908 ( -0.059 0.700 -1.673) 1.815 0.962 ( 0.346 1.116 0.881) 1.463 0.977 ( -0.113 1.029 -0.465) 1.134 1.011 ( 0.223 1.279 2.045) 2.422 1.039 ( 0.351 2.051 -0.039) 2.082 1.049 ( 0.961 1.538 0.812) 1.987 1.065 ( -0.739 1.878 0.906) 2.212 1.082 ( -0.883 2.352 -0.470) 2.556 1.117 ( 0.193 1.069 0.060) 1.088 1.136 ( 0.212 -0.002 0.161) 0.266 1.137 ( -0.020 0.913 -1.104) 1.433 1.185 ( 0.145 1.469 1.382) 2.022 1.200 ( 0.304 0.396 -0.399) 0.639 1.223 ( 0.763 3.826 2.022) 4.394 1.265 ( -0.181 2.185 -1.889) 2.894 1.292 ( 0.726 1.001 0.362) 1.288 1.311 ( -1.719 1.298 -0.452) 2.201 1.317 ( -0.275 2.026 0.667) 2.151 1.340 ( 0.449 2.834 -1.067) 3.061 1.511 ( -0.798 -0.654 0.379) 1.099 1.565 ( 0.007 0.335 -3.696) 3.711 1.570 ( 1.202 -0.227 1.421) 1.875 1.579 ( -3.074 2.056 0.062) 3.698 1.604 ( 2.759 -0.061 -0.880) 2.897 1.620 ( -0.864 -1.398 -0.868) 1.858 1.659 ( 1.487 -0.190 2.573) 2.978 1.697 ( -2.633 -0.502 -0.318) 2.699 1.906 ( 2.168 1.448 3.390) 4.277 1.925 ( -0.275 0.972 0.104) 1.015 1.957 ( 0.383 -1.955 0.450) 2.042 2.002 ( -0.834 -1.461 -2.241) 2.802 2.154 ( 1.921 -3.240 2.962) 4.792 2.211 ( -2.157 -3.602 -2.340) 4.807 2.329 ( 0.159 3.414 0.515) 3.456 2.342 ( 0.084 3.033 -0.320) 3.051 2.518 ( -0.921 1.877 0.485) 2.146 2.529 ( 1.067 1.970 0.129) 2.244 2.665 ( -1.285 -3.129 -1.540) 3.717 2.683 ( 1.682 -2.824 -2.525) 4.145 2.786 ( -2.132 1.444 1.063) 2.786 2.828 ( 1.903 4.364 -2.290) 5.283 2.874 ( -0.198 -1.892 2.330) 3.008 2.912 ( -0.086 -1.292 -0.675) 1.461 3.686 ( -0.442 1.775 2.317) 2.952 3.746 ( 1.764 0.020 -2.620) 3.159 3.816 ( -1.367 -2.248 2.805) 3.845 3.887 ( -0.259 -4.497 -3.086) 5.461 4.126 ( -2.493 -4.223 0.752) 4.961 4.155 ( 3.261 -3.797 -1.960) 5.375 4.276 ( 0.105 -1.292 1.931) 2.326 4.299 ( -0.658 -1.813 0.213) 1.940 4.881 ( -0.804 2.037 0.889) 2.363 4.907 ( 1.088 2.092 -1.050) 2.581 5.170 ( -3.061 -0.058 1.259) 3.310 5.185 ( 2.839 0.373 -0.054) 2.864 5.579 ( 0.275 1.052 0.424) 1.167 5.587 ( 0.021 1.572 -0.095) 1.575 5.749 ( -0.255 2.384 -0.235) 2.409 5.755 ( -0.222 2.781 -0.484) 2.831 5.917 ( -2.319 -0.317 0.405) 2.375 5.937 ( 3.051 -0.998 -1.398) 3.501 6.019 ( -2.265 0.457 1.290) 2.646 6.035 ( 1.682 1.063 -0.155) 1.996 6.146 ( -0.223 0.147 0.525) 0.589 6.152 ( 0.375 -0.178 0.634) 0.758 6.204 ( -0.471 1.681 -0.499) 1.815 6.208 ( 0.405 1.032 -1.024) 1.510 7.032 ( -2.033 -2.069 0.297) 2.916 7.049 ( 2.024 -3.522 -1.189) 4.233 7.175 ( -1.265 -3.055 0.522) 3.348 7.179 ( 1.180 -3.863 0.124) 4.041 7.735 ( -0.082 1.441 1.716) 2.242 7.767 ( 0.895 1.090 -1.074) 1.773 7.790 ( -0.891 1.590 0.954) 2.057 7.817 ( -0.065 0.306 -1.328) 1.364 7.920 ( 1.765 0.650 1.230) 2.247 7.954 ( -1.784 0.894 -1.663) 2.598 8.223 ( 0.998 -1.176 2.363) 2.822 8.280 ( -0.935 -1.907 -2.619) 3.372 8.544 ( -0.951 0.679 0.684) 1.354 8.557 ( 1.119 -0.113 -0.058) 1.126 8.690 ( 0.100 -0.930 0.316) 0.987 8.701 ( 0.772 -1.803 -0.327) 1.988 8.754 ( -0.287 2.748 0.805) 2.878 8.774 ( -0.949 2.094 -0.836) 2.446 8.887 ( 1.640 1.608 0.568) 2.366 8.892 ( -1.682 2.173 0.218) 2.757 9.066 ( -0.586 0.082 1.152) 1.295 9.116 ( 1.458 -0.379 -3.412) 3.730 9.329 ( -1.343 -0.643 2.804) 3.175 9.373 ( 0.841 -1.887 -1.276) 2.428======================= Grid point 86 (43/56) =======================q-point: ( 0.20 0.33 -0.67)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 91Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.758 ( -0.710 4.809 0.592) 4.897 0.798 ( -0.673 5.051 0.483) 5.118 0.817 ( 0.170 3.257 -0.616) 3.319 0.869 ( -0.829 3.136 -2.009) 3.816 0.894 ( 0.865 3.632 1.978) 4.225 0.939 ( 0.857 0.225 -0.209) 0.910 0.954 ( -0.386 2.056 -0.552) 2.164 0.970 ( -0.310 0.884 0.408) 1.022 1.016 ( -1.107 1.627 -0.020) 1.969 1.027 ( 0.523 2.069 -1.281) 2.489 1.051 ( -0.106 2.174 -0.748) 2.301 1.074 ( -0.686 2.879 0.805) 3.067 1.099 ( 1.042 0.637 1.550) 1.974 1.116 ( 0.952 2.024 -0.829) 2.386 1.129 ( -0.501 -0.514 0.295) 0.776 1.142 ( 0.243 0.510 -0.744) 0.934 1.181 ( -1.257 0.654 -0.538) 1.516 1.190 ( 0.312 0.608 -0.262) 0.731 1.235 ( -0.641 3.884 -2.292) 4.556 1.260 ( 0.045 2.336 1.617) 2.842 1.281 ( -0.472 0.954 0.297) 1.105 1.313 ( -0.218 1.903 1.013) 2.167 1.335 ( 1.157 2.173 0.166) 2.467 1.343 ( 0.678 2.185 -0.392) 2.321 1.467 ( -4.052 -0.019 2.250) 4.635 1.533 ( -0.309 1.151 -1.570) 1.972 1.559 ( 1.163 -0.736 1.683) 2.175 1.587 ( 0.311 -0.729 -1.950) 2.105 1.613 ( 0.383 -0.378 1.125) 1.247 1.647 ( -0.329 -1.415 0.705) 1.615 1.650 ( 0.512 0.601 -0.970) 1.250 1.716 ( 0.368 0.441 1.346) 1.463 1.930 ( 1.640 0.361 -1.355) 2.158 1.958 ( 1.078 -1.778 0.954) 2.287 1.973 ( 2.534 0.283 -3.965) 4.714 2.030 ( 3.438 -1.574 2.246) 4.398 2.157 ( 0.754 -1.890 -2.242) 3.028 2.238 ( 2.997 -2.720 2.788) 4.914 2.318 ( -0.501 2.923 -0.536) 3.014 2.357 ( 0.825 2.120 0.425) 2.314 2.462 ( -4.500 1.459 -0.335) 4.742 2.527 ( -2.178 1.949 -0.390) 2.949 2.625 ( -1.978 -2.469 0.826) 3.270 2.674 ( -0.277 -1.875 -0.668) 2.010 2.755 ( -3.591 4.443 2.029) 6.063 2.835 ( 1.648 1.600 -1.348) 2.663 2.882 ( -1.191 -1.879 -0.318) 2.247 2.898 ( -0.395 -1.286 0.363) 1.393 3.697 ( -1.413 1.609 1.816) 2.808 3.718 ( 0.117 0.102 -3.085) 3.089 3.857 ( 0.771 -2.894 -2.047) 3.628 3.862 ( 0.616 -3.412 3.879) 5.203 4.083 ( -2.918 -3.561 0.870) 4.685 4.180 ( 1.743 -4.872 -1.842) 5.493 4.286 ( 0.300 -1.320 0.226) 1.372 4.312 ( 0.860 -1.368 0.226) 1.631 4.879 ( -0.019 3.142 0.453) 3.174 4.927 ( 1.822 0.449 -0.807) 2.043 5.105 ( -4.267 1.319 0.629) 4.510 5.229 ( 1.504 -1.307 -0.530) 2.062 5.579 ( -0.185 1.067 -0.476) 1.183 5.588 ( 0.199 1.491 0.010) 1.504 5.749 ( -0.076 2.564 0.304) 2.583 5.752 ( 0.044 2.769 0.510) 2.815 5.893 ( -0.832 0.109 0.516) 0.986 5.974 ( 2.018 0.310 -1.820) 2.735 6.011 ( 0.664 -0.002 1.584) 1.718 6.076 ( 2.655 0.188 -0.569) 2.722 6.141 ( -0.771 0.062 0.333) 0.842 6.159 ( 0.236 0.089 -0.769) 0.809 6.181 ( -1.105 1.225 0.100) 1.653 6.217 ( 0.645 1.086 0.297) 1.298 6.966 ( -3.404 -1.420 0.492) 3.721 7.072 ( -0.598 -4.580 -0.336) 4.631 7.151 ( -1.867 -3.444 0.335) 3.932 7.197 ( 0.609 -4.047 -0.288) 4.103 7.718 ( -0.658 1.906 -0.212) 2.028 7.766 ( -0.698 2.094 0.600) 2.288 7.787 ( -0.395 1.275 -0.958) 1.644 7.810 ( -0.049 2.180 0.090) 2.183 7.927 ( 2.068 2.354 0.255) 3.144 8.026 ( 5.329 -2.391 0.499) 5.862 8.212 ( -2.323 -1.308 -1.895) 3.271 8.267 ( -0.025 -1.999 1.800) 2.690 8.530 ( -1.125 1.040 0.332) 1.568 8.559 ( -0.435 0.015 -0.535) 0.690 8.680 ( -0.408 0.211 -0.718) 0.852 8.716 ( 0.992 -2.053 -1.141) 2.550 8.744 ( -0.592 2.135 0.937) 2.406 8.766 ( -1.090 2.074 1.117) 2.596 8.897 ( 2.288 2.370 0.048) 3.295 8.940 ( 2.854 0.507 0.240) 2.908 9.074 ( -0.530 -0.512 1.672) 1.828 9.109 ( 2.212 0.143 -2.925) 3.670 9.320 ( -3.093 -1.307 2.320) 4.081 9.358 ( -0.379 -1.294 -1.618) 2.106======================= Grid point 87 (44/56) =======================q-point: ( 0.40 0.33 -0.67)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 91Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.756 ( 0.826 3.152 1.499) 3.587 0.791 ( -2.413 3.319 1.806) 4.484 0.837 ( 1.352 2.278 -0.900) 2.797 0.844 ( 1.885 2.334 -1.432) 3.324 0.911 ( -1.381 3.888 -0.578) 4.166 0.919 ( -2.122 2.293 1.227) 3.357 0.947 ( 0.002 0.664 0.061) 0.667 0.971 ( 0.307 1.966 -1.389) 2.427 1.007 ( 1.696 1.096 -1.488) 2.508 1.033 ( -0.767 0.232 -0.149) 0.815 1.035 ( 0.723 2.453 -0.633) 2.635 1.056 ( -1.176 2.989 -0.989) 3.361 1.106 ( 0.355 0.741 0.500) 0.962 1.117 ( 0.111 1.765 -0.520) 1.844 1.126 ( -1.051 2.136 -0.813) 2.516 1.153 ( 0.437 0.218 1.537) 1.613 1.176 ( 0.369 0.025 0.657) 0.754 1.186 ( 0.068 1.431 -1.277) 1.920 1.213 ( 0.587 2.628 -0.400) 2.722 1.264 ( -0.385 0.692 -0.288) 0.843 1.273 ( -1.040 1.146 0.649) 1.678 1.314 ( -0.431 1.721 -1.146) 2.113 1.338 ( 0.141 2.638 1.646) 3.113 1.360 ( 0.500 1.396 0.849) 1.709 1.473 ( -0.576 1.869 3.216) 3.763 1.525 ( 0.966 -0.166 -1.050) 1.436 1.567 ( -0.073 -1.536 -0.680) 1.681 1.604 ( -0.770 -1.366 -0.302) 1.597 1.612 ( 0.424 0.497 0.233) 0.694 1.636 ( 0.610 0.547 0.395) 0.910 1.678 ( 0.803 0.024 1.067) 1.336 1.694 ( -1.888 0.029 -1.455) 2.384 1.925 ( 1.358 -1.100 -2.845) 3.339 1.954 ( 0.437 -0.785 -3.297) 3.418 2.007 ( 1.583 -1.338 1.740) 2.706 2.083 ( 0.962 -3.381 -0.306) 3.528 2.202 ( 4.651 1.781 0.072) 4.981 2.288 ( -0.072 -1.797 -0.658) 1.915 2.324 ( 0.126 2.864 1.138) 3.085 2.366 ( -2.177 1.299 0.324) 2.556 2.394 ( -0.099 1.385 0.905) 1.658 2.459 ( -2.811 3.147 -1.547) 4.494 2.633 ( 0.143 0.076 2.649) 2.654 2.667 ( -1.137 -0.525 1.115) 1.677 2.726 ( -2.081 3.119 3.417) 5.073 2.846 ( 0.692 0.108 -1.524) 1.677 2.859 ( -0.650 -1.416 -0.136) 1.564 2.882 ( -0.533 -1.849 -1.101) 2.217 3.681 ( -1.315 1.332 0.123) 1.876 3.701 ( 1.148 0.683 -1.548) 2.045 3.861 ( 0.455 -2.795 0.583) 2.891 3.897 ( -0.563 -3.413 1.280) 3.688 4.066 ( -1.211 -3.469 2.667) 4.540 4.170 ( 0.797 -5.041 -2.940) 5.890 4.300 ( 0.910 -1.172 -0.175) 1.494 4.315 ( -0.264 -1.253 -0.497) 1.373 4.894 ( 1.473 2.807 -0.045) 3.171 4.928 ( -1.214 1.152 -0.396) 1.720 5.078 ( -0.353 0.375 2.458) 2.511 5.215 ( -0.484 -1.888 -3.092) 3.655 5.577 ( 0.194 1.165 0.140) 1.189 5.590 ( 0.224 1.858 -0.221) 1.884 5.745 ( -0.448 1.765 0.147) 1.826 5.760 ( -0.159 2.892 0.272) 2.910 5.900 ( 0.122 0.955 1.369) 1.674 5.964 ( 0.189 1.947 -1.969) 2.776 6.060 ( 1.383 -1.069 1.619) 2.382 6.101 ( 1.221 0.145 -0.876) 1.510 6.130 ( -0.194 -0.003 -0.404) 0.448 6.148 ( -0.087 0.029 -1.145) 1.148 6.180 ( -0.420 1.008 1.817) 2.120 6.228 ( 0.240 0.904 -0.130) 0.945 6.948 ( 0.406 -2.313 1.004) 2.555 7.020 ( -3.562 -3.758 -0.570) 5.209 7.138 ( -0.594 -4.116 1.273) 4.349 7.191 ( 0.015 -4.518 -1.302) 4.702 7.723 ( 1.217 3.823 -0.793) 4.089 7.758 ( -1.217 2.642 -1.138) 3.123 7.772 ( 0.567 1.576 1.423) 2.198 7.813 ( -0.227 2.116 0.258) 2.144 7.986 ( 3.024 1.534 0.794) 3.482 8.068 ( -0.841 -1.514 -1.343) 2.192 8.189 ( 1.595 -1.750 0.732) 2.478 8.263 ( -1.929 -2.684 0.192) 3.311 8.522 ( -0.196 1.549 0.452) 1.625 8.542 ( -0.605 0.242 -0.273) 0.707 8.669 ( 0.377 1.663 -0.702) 1.844 8.700 ( -0.278 -0.346 -1.805) 1.859 8.757 ( 0.339 0.752 0.944) 1.253 8.767 ( -0.641 0.347 1.087) 1.309 8.943 ( 1.487 1.523 0.759) 2.260 8.975 ( 1.096 0.395 -0.458) 1.252 9.085 ( -1.112 -1.077 2.061) 2.577 9.125 ( 3.586 0.177 -2.805) 4.556 9.287 ( -3.649 -1.411 2.428) 4.604 9.331 ( 0.258 -1.140 -1.996) 2.313======================= Grid point 88 (45/56) =======================q-point: (-0.40 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 91Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.772 ( -0.929 2.621 1.638) 3.227 0.794 ( -1.573 3.944 0.656) 4.297 0.838 ( -1.670 1.897 -1.242) 2.816 0.862 ( 3.231 1.083 -2.503) 4.228 0.887 ( 1.305 2.993 1.111) 3.449 0.911 ( 0.923 1.014 1.331) 1.911 0.946 ( -0.377 1.576 0.158) 1.628 0.978 ( 2.136 2.624 -1.970) 3.915 0.990 ( -1.982 1.082 -0.723) 2.371 1.022 ( 0.605 0.671 0.558) 1.062 1.032 ( -1.068 2.536 -0.508) 2.798 1.049 ( 0.619 2.382 0.023) 2.462 1.100 ( -0.698 2.277 -0.207) 2.391 1.120 ( 1.242 2.230 -0.652) 2.634 1.130 ( -0.571 1.218 2.125) 2.515 1.156 ( 0.456 0.635 -1.403) 1.606 1.176 ( -0.200 1.406 0.148) 1.428 1.182 ( -0.259 0.659 -0.393) 0.809 1.229 ( -0.766 0.675 0.286) 1.060 1.244 ( 0.701 0.836 -0.625) 1.257 1.281 ( 0.419 1.723 1.463) 2.298 1.301 ( 1.076 0.381 -1.640) 1.998 1.354 ( -0.892 1.493 1.740) 2.460 1.369 ( -0.490 2.804 -0.236) 2.856 1.485 ( -1.602 1.811 2.686) 3.614 1.544 ( 1.627 1.603 -2.448) 3.349 1.559 ( -0.170 -1.613 1.335) 2.101 1.579 ( 0.460 -1.825 -1.719) 2.549 1.610 ( -1.170 -0.572 1.858) 2.269 1.646 ( 0.641 -0.162 -1.541) 1.677 1.667 ( -1.075 0.232 1.797) 2.107 1.692 ( 0.127 0.317 -0.366) 0.501 1.910 ( -0.934 -0.740 -2.077) 2.395 1.927 ( 1.257 -0.568 -1.197) 1.826 2.024 ( -3.042 -1.306 1.671) 3.709 2.078 ( 0.923 -3.347 -1.420) 3.751 2.212 ( -5.877 1.256 -1.008) 6.094 2.259 ( 0.173 -0.744 1.728) 1.889 2.342 ( -0.479 2.553 -0.298) 2.614 2.369 ( 2.634 2.449 0.584) 3.643 2.395 ( -0.875 3.833 0.620) 3.981 2.451 ( 3.570 1.810 -1.011) 4.128 2.661 ( 0.024 -0.396 0.758) 0.855 2.680 ( 1.966 0.884 0.349) 2.183 2.778 ( 0.865 -0.628 4.533) 4.658 2.808 ( 0.260 0.242 -3.157) 3.177 2.862 ( 0.263 -0.130 0.160) 0.334 2.870 ( 0.536 -2.435 -1.092) 2.722 3.668 ( -0.790 1.944 0.850) 2.264 3.706 ( 1.776 0.458 -2.041) 2.744 3.865 ( -2.148 -2.666 1.451) 3.719 3.901 ( 1.210 -3.753 0.100) 3.944 4.097 ( 0.043 -4.145 3.403) 5.363 4.145 ( 1.360 -4.456 -3.962) 6.115 4.286 ( -1.979 -1.000 0.394) 2.252 4.316 ( 0.507 -1.400 -0.351) 1.530 4.892 ( -1.770 2.520 0.049) 3.080 4.925 ( 1.538 1.722 -0.206) 2.318 5.121 ( -0.516 -0.909 2.844) 3.030 5.165 ( 1.185 -0.856 -3.087) 3.416 5.581 ( -0.214 1.422 0.230) 1.457 5.589 ( 0.111 1.884 -0.555) 1.967 5.747 ( 0.058 1.802 0.970) 2.047 5.755 ( 0.048 2.289 -0.374) 2.319 5.920 ( -0.282 1.408 1.860) 2.350 5.940 ( 0.114 1.456 -2.163) 2.609 6.076 ( -1.632 -0.424 1.432) 2.212 6.095 ( -0.931 0.108 -1.344) 1.639 6.129 ( 0.061 -0.193 -0.402) 0.450 6.133 ( 0.410 -0.227 -0.187) 0.504 6.201 ( -0.132 1.177 1.931) 2.265 6.222 ( 0.313 1.031 -1.248) 1.649 6.955 ( -1.303 -2.119 0.717) 2.589 7.017 ( 4.550 -4.118 -0.521) 6.158 7.154 ( 0.062 -4.084 1.753) 4.445 7.174 ( 0.293 -4.665 -1.702) 4.974 7.720 ( -1.643 3.419 -0.524) 3.829 7.739 ( 1.076 3.175 0.363) 3.372 7.797 ( -0.697 1.374 -0.639) 1.668 7.811 ( 1.133 2.045 0.528) 2.397 7.992 ( -3.779 1.254 0.584) 4.025 8.050 ( 1.246 -0.605 -0.437) 1.452 8.211 ( -2.287 -2.116 -0.823) 3.223 8.252 ( 2.803 -2.496 1.048) 3.897 8.527 ( -0.226 1.226 0.393) 1.307 8.539 ( 0.785 0.439 -0.298) 0.948 8.672 ( 0.116 1.342 -0.658) 1.499 8.682 ( 0.912 0.591 -0.760) 1.326 8.762 ( -1.033 0.129 0.521) 1.164 8.772 ( 0.217 0.205 0.697) 0.758 8.949 ( -2.018 1.511 0.871) 2.667 8.967 ( -1.219 0.595 -0.480) 1.439 9.079 ( -1.741 -0.399 1.385) 2.260 9.149 ( 2.850 -0.850 -3.578) 4.652 9.271 ( -1.702 -0.518 3.345) 3.789 9.332 ( 2.380 -1.724 -1.646) 3.369======================= Grid point 89 (46/56) =======================q-point: (-0.20 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 91Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.769 ( -0.209 5.016 0.587) 5.055 0.790 ( -2.288 3.858 0.861) 4.567 0.795 ( 1.424 2.362 -0.143) 2.761 0.883 ( 1.864 2.739 -2.378) 4.078 0.920 ( -0.425 -0.126 1.004) 1.097 0.929 ( -0.154 2.190 -0.659) 2.292 0.954 ( -1.077 1.927 0.822) 2.356 0.963 ( 2.092 0.851 0.316) 2.281 0.995 ( -1.882 3.593 1.323) 4.267 1.006 ( 1.795 2.589 -0.884) 3.272 1.044 ( 0.407 0.491 -0.100) 0.645 1.068 ( 0.440 2.502 1.124) 2.778 1.089 ( -0.451 2.171 0.268) 2.233 1.121 ( -0.684 1.596 0.328) 1.767 1.131 ( -0.226 0.744 -0.210) 0.805 1.157 ( -0.168 0.585 -0.828) 1.028 1.169 ( -0.248 0.703 0.737) 1.048 1.183 ( 1.236 0.643 -0.054) 1.394 1.207 ( -0.053 2.503 -0.554) 2.564 1.267 ( 0.843 0.426 0.564) 1.100 1.290 ( -0.504 0.727 -0.203) 0.907 1.319 ( 0.970 1.940 0.465) 2.218 1.338 ( -1.488 2.722 -0.886) 3.226 1.352 ( -0.712 1.540 0.072) 1.699 1.505 ( 1.794 -0.474 -0.271) 1.875 1.534 ( 1.655 1.894 -1.373) 2.865 1.555 ( -0.544 -0.498 0.794) 1.083 1.602 ( 0.452 -0.717 0.916) 1.248 1.617 ( -0.119 -0.458 -1.325) 1.407 1.638 ( 0.056 0.812 -0.673) 1.056 1.658 ( -1.787 -0.556 0.784) 2.030 1.700 ( 0.500 0.460 1.717) 1.847 1.873 ( -2.156 0.026 1.312) 2.524 1.935 ( -0.552 0.536 0.189) 0.792 1.977 ( -2.014 -0.757 -0.122) 2.155 2.068 ( -2.226 -2.945 -2.696) 4.571 2.110 ( -2.440 -1.130 2.314) 3.547 2.261 ( -1.802 -2.460 0.830) 3.160 2.323 ( -0.124 3.833 -0.586) 3.880 2.365 ( -2.304 2.903 -0.139) 3.709 2.452 ( 5.212 1.825 0.198) 5.526 2.515 ( 2.698 2.065 0.247) 3.406 2.670 ( 1.767 -1.252 -1.702) 2.754 2.699 ( 0.758 -1.701 -1.815) 2.600 2.794 ( 1.281 1.545 -0.681) 2.120 2.819 ( -0.014 0.343 0.036) 0.346 2.864 ( 0.005 -1.614 -0.093) 1.616 2.894 ( 1.661 -0.459 1.088) 2.038 3.670 ( -0.441 1.997 1.248) 2.396 3.722 ( 2.261 0.134 -0.882) 2.431 3.838 ( -2.113 -1.757 0.389) 2.775 3.916 ( 0.301 -5.143 -0.916) 5.233 4.133 ( 2.509 -3.605 -3.081) 5.365 4.134 ( -0.151 -4.508 1.887) 4.889 4.263 ( -1.418 -0.676 1.312) 2.046 4.313 ( -0.967 -2.164 0.452) 2.413 4.877 ( -0.214 2.503 0.401) 2.544 4.924 ( -1.110 1.190 -0.484) 1.698 5.129 ( 2.681 1.239 -1.160) 3.173 5.190 ( -0.434 -1.120 2.096) 2.416 5.576 ( -0.162 1.177 -0.130) 1.195 5.586 ( -0.021 1.902 0.036) 1.902 5.754 ( 0.215 2.175 -0.306) 2.207 5.761 ( 0.020 2.347 0.310) 2.368 5.921 ( 0.939 0.172 -1.712) 1.960 5.936 ( -0.776 0.414 1.591) 1.818 6.040 ( -2.248 0.286 -0.900) 2.438 6.055 ( -2.537 0.255 0.865) 2.692 6.133 ( 0.460 -0.131 0.334) 0.584 6.144 ( 0.279 -0.025 0.367) 0.462 6.208 ( 0.562 1.280 -1.157) 1.815 6.219 ( -0.184 1.329 0.118) 1.347 6.976 ( 3.201 -1.283 -0.055) 3.449 7.075 ( 1.275 -4.908 -0.587) 5.105 7.163 ( 0.901 -4.465 -0.749) 4.617 7.177 ( -0.211 -3.545 1.244) 3.763 7.704 ( 0.297 2.295 0.543) 2.377 7.764 ( 0.596 2.103 0.599) 2.267 7.789 ( 1.275 1.018 -0.798) 1.816 7.812 ( -0.696 2.498 -0.089) 2.595 7.941 ( -2.374 2.197 -0.620) 3.293 8.025 ( -4.222 -2.258 0.616) 4.828 8.187 ( 0.749 -0.724 0.030) 1.042 8.298 ( 1.354 -2.325 -0.508) 2.738 8.534 ( 0.873 0.563 0.195) 1.057 8.547 ( 0.047 0.389 0.122) 0.410 8.673 ( 1.169 0.319 -0.466) 1.298 8.697 ( 0.291 -0.863 0.502) 1.040 8.749 ( -0.549 1.598 0.229) 1.705 8.785 ( 0.695 0.820 -0.014) 1.074 8.900 ( -3.174 2.379 -0.102) 3.968 8.932 ( -2.840 1.143 0.654) 3.130 9.068 ( -1.030 0.201 0.912) 1.390 9.136 ( 1.312 -1.083 -3.690) 4.063 9.302 ( -0.015 -0.183 3.193) 3.198 9.360 ( 2.270 -2.087 -1.178) 3.301======================= Grid point 90 (47/56) =======================q-point: ( 0.00 0.42 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.842 ( -1.029 3.202 0.755) 3.447 0.866 ( 1.359 2.403 -1.167) 2.997 0.877 ( -0.181 1.253 1.510) 1.971 0.905 ( 0.211 -0.388 -0.233) 0.499 0.926 ( -0.921 1.424 -0.026) 1.697 0.945 ( 0.099 1.301 -0.893) 1.581 0.979 ( 0.323 0.369 1.052) 1.160 0.997 ( 0.212 0.907 -0.745) 1.193 1.035 ( -0.473 1.282 -0.087) 1.369 1.048 ( 0.491 -0.216 -0.036) 0.537 1.076 ( 0.557 0.640 0.306) 0.902 1.088 ( -0.879 -0.502 -1.062) 1.467 1.119 ( 0.376 0.810 0.792) 1.193 1.131 ( -0.368 1.121 0.095) 1.183 1.143 ( -0.064 1.995 0.687) 2.111 1.173 ( 0.015 1.492 -1.228) 1.932 1.198 ( 0.840 0.889 0.605) 1.365 1.215 ( -0.312 0.931 -0.838) 1.291 1.271 ( -0.826 -0.754 1.327) 1.735 1.285 ( 0.441 1.468 1.034) 1.849 1.310 ( 0.800 0.857 1.004) 1.543 1.342 ( -0.756 1.118 -0.603) 1.478 1.364 ( -0.092 2.593 1.483) 2.988 1.390 ( 0.307 1.784 -1.228) 2.187 1.500 ( 0.338 -0.015 1.474) 1.513 1.542 ( 0.764 -1.409 2.487) 2.959 1.570 ( -0.851 -0.719 -2.355) 2.605 1.585 ( 0.204 -1.658 -0.340) 1.705 1.613 ( -3.011 0.720 -0.223) 3.104 1.623 ( 2.762 1.318 -1.535) 3.424 1.663 ( 1.725 0.623 0.840) 2.017 1.681 ( -3.375 -0.561 -0.393) 3.444 1.901 ( -0.136 -1.251 0.689) 1.434 1.913 ( 0.610 -2.131 -0.416) 2.255 1.962 ( 1.169 2.467 1.538) 3.133 1.997 ( -0.247 1.002 -0.745) 1.273 2.098 ( 1.980 -2.038 2.236) 3.616 2.140 ( -1.582 -3.396 -1.794) 4.154 2.376 ( 0.317 1.380 -0.542) 1.516 2.383 ( -0.465 1.130 -1.026) 1.595 2.530 ( 1.138 -0.075 0.001) 1.141 2.549 ( -1.194 -0.127 -0.886) 1.492 2.603 ( -1.980 -2.813 -1.273) 3.668 2.619 ( 1.907 -3.296 -1.979) 4.291 2.792 ( -0.500 0.379 2.847) 2.915 2.830 ( -0.199 -1.218 0.029) 1.234 2.930 ( 0.830 3.721 0.387) 3.832 2.942 ( -0.471 2.837 -0.259) 2.887 3.710 ( 0.206 0.843 1.071) 1.378 3.743 ( 0.907 -0.049 -1.689) 1.918 3.778 ( -0.905 -1.781 0.788) 2.147 3.801 ( -0.054 -4.074 -1.024) 4.201 4.072 ( -1.733 -1.140 1.051) 2.326 4.102 ( 1.870 -1.852 -1.531) 3.045 4.257 ( -0.554 -0.540 1.250) 1.470 4.273 ( 0.323 -1.027 0.028) 1.077 4.921 ( -0.098 1.928 0.815) 2.096 4.941 ( 0.337 1.221 -0.809) 1.503 5.167 ( -1.685 -0.147 0.934) 1.932 5.182 ( 1.484 -0.576 -0.454) 1.655 5.594 ( 0.177 0.557 0.153) 0.604 5.605 ( -0.142 0.302 -0.677) 0.755 5.784 ( 0.003 1.366 0.732) 1.550 5.796 ( -0.139 1.187 0.008) 1.195 5.905 ( -1.038 -0.495 0.303) 1.189 5.919 ( 1.288 -0.851 -0.560) 1.642 6.030 ( -0.767 0.715 0.490) 1.158 6.047 ( 0.672 0.157 -0.715) 0.994 6.151 ( -0.338 0.284 0.365) 0.573 6.154 ( 0.181 0.245 0.684) 0.749 6.230 ( 0.260 1.111 -0.577) 1.279 6.236 ( -0.132 1.240 -0.686) 1.423 6.999 ( -0.818 -1.329 -0.015) 1.561 7.002 ( 0.790 -1.199 -0.259) 1.459 7.116 ( 0.428 -2.298 0.519) 2.395 7.123 ( -0.414 -2.194 0.035) 2.232 7.750 ( 0.145 0.410 0.934) 1.031 7.768 ( -0.153 -0.496 -0.650) 0.832 7.812 ( -0.592 0.694 0.244) 0.944 7.820 ( 0.632 0.105 -0.435) 0.774 7.951 ( 0.733 1.869 0.956) 2.224 7.978 ( -1.004 0.878 -1.352) 1.899 8.213 ( 0.780 0.097 1.356) 1.568 8.247 ( -0.570 -1.444 -1.627) 2.249 8.553 ( -0.463 0.205 0.331) 0.605 8.555 ( 0.215 0.002 0.206) 0.298 8.665 ( 0.571 -1.136 -0.144) 1.279 8.671 ( 0.223 -1.289 -0.457) 1.385 8.802 ( -0.262 1.896 0.659) 2.024 8.809 ( -0.448 1.356 0.035) 1.429 8.910 ( -0.107 0.988 0.626) 1.174 8.924 ( 0.117 0.796 -0.511) 0.953 9.087 ( -0.657 1.672 0.885) 2.002 9.118 ( 1.037 0.326 -1.869) 2.163 9.318 ( -0.938 -0.413 1.287) 1.645 9.340 ( 0.737 -1.492 -0.642) 1.784======================= Grid point 91 (48/56) =======================q-point: ( 0.20 0.42 -0.67)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.834 ( -1.380 2.971 -0.083) 3.277 0.855 ( -0.745 1.426 0.389) 1.655 0.875 ( -0.318 1.852 -0.144) 1.885 0.904 ( -1.383 1.834 -0.341) 2.322 0.920 ( 0.390 -1.253 -0.035) 1.313 0.938 ( -0.446 0.296 0.878) 1.029 0.988 ( 0.441 0.727 -0.379) 0.931 0.998 ( 0.762 1.744 -0.333) 1.932 1.034 ( -0.427 0.977 0.180) 1.081 1.055 ( 0.556 0.436 -0.293) 0.766 1.070 ( -0.445 -0.349 -0.704) 0.903 1.089 ( -0.222 -1.387 0.654) 1.549 1.124 ( 0.719 1.198 0.098) 1.401 1.144 ( 0.857 0.487 0.193) 1.005 1.150 ( -1.202 2.577 1.212) 3.091 1.167 ( 0.954 2.602 -0.834) 2.894 1.185 ( -1.230 0.517 -0.695) 1.505 1.203 ( 0.017 0.603 -0.391) 0.718 1.277 ( -0.500 0.262 0.862) 1.030 1.289 ( -0.593 -0.314 -0.672) 0.950 1.310 ( -0.628 2.188 -1.234) 2.589 1.336 ( -0.017 0.548 1.773) 1.856 1.380 ( 0.045 1.776 -0.190) 1.786 1.387 ( 0.869 2.128 -0.624) 2.382 1.481 ( -2.247 1.873 -0.231) 2.934 1.536 ( -0.199 -0.879 1.137) 1.451 1.555 ( -1.294 -0.170 -1.695) 2.139 1.577 ( 1.217 -0.502 0.271) 1.344 1.597 ( 0.371 -0.448 0.638) 0.863 1.617 ( -1.663 -1.340 1.023) 2.368 1.669 ( 0.958 1.056 -0.240) 1.446 1.718 ( 1.039 -0.414 0.784) 1.366 1.907 ( 0.280 -1.849 -0.251) 1.886 1.917 ( 0.926 -1.929 -0.178) 2.147 1.982 ( 1.692 0.944 -1.965) 2.760 2.013 ( 0.605 -0.483 -0.123) 0.784 2.136 ( 4.585 -0.243 -1.406) 4.802 2.181 ( 3.737 -2.658 1.351) 4.781 2.362 ( -0.741 1.514 0.210) 1.699 2.383 ( 0.114 0.701 0.819) 1.084 2.475 ( -4.194 0.123 -0.816) 4.275 2.526 ( -3.036 -1.992 1.121) 3.800 2.591 ( 0.680 -0.576 0.553) 1.048 2.633 ( 1.091 -2.327 -0.497) 2.618 2.802 ( -1.263 0.754 1.209) 1.904 2.825 ( 0.463 -0.756 -0.132) 0.896 2.906 ( -2.324 3.515 -1.072) 4.348 2.935 ( -0.977 2.523 0.195) 2.713 3.715 ( -0.652 0.109 -0.379) 0.762 3.722 ( -0.278 1.079 -0.621) 1.276 3.786 ( 0.243 -3.571 0.470) 3.610 3.807 ( 1.067 -2.848 0.424) 3.070 4.044 ( -2.595 -0.440 1.254) 2.915 4.102 ( 0.162 -3.023 -1.288) 3.290 4.272 ( 1.063 -0.123 0.517) 1.188 4.293 ( 1.632 -0.816 -0.456) 1.881 4.929 ( -0.008 1.782 0.462) 1.841 4.939 ( 0.588 0.753 -0.841) 1.272 5.128 ( -3.073 1.209 0.746) 3.385 5.196 ( 0.287 -1.989 -0.523) 2.077 5.593 ( -0.180 0.446 -0.348) 0.594 5.604 ( 0.236 0.178 0.462) 0.549 5.789 ( -0.080 1.560 -0.854) 1.780 5.796 ( 0.109 1.523 0.786) 1.717 5.899 ( 0.151 0.663 0.388) 0.783 5.952 ( 2.748 -1.728 -0.764) 3.335 6.030 ( 0.148 1.302 0.753) 1.511 6.070 ( 2.222 -0.649 -0.452) 2.358 6.146 ( -0.740 0.360 0.354) 0.895 6.157 ( -0.162 -0.192 -0.217) 0.332 6.216 ( -0.724 1.841 -0.357) 2.010 6.237 ( 0.173 0.755 0.296) 0.829 6.951 ( -3.110 -0.090 0.137) 3.115 7.001 ( -1.588 -2.705 -0.031) 3.137 7.099 ( -1.537 -1.689 -0.184) 2.291 7.126 ( -0.221 -2.972 0.065) 2.980 7.751 ( 1.196 1.575 0.086) 1.980 7.796 ( 1.168 -0.182 -0.583) 1.318 7.799 ( -0.594 1.364 0.012) 1.488 7.837 ( 1.343 0.236 0.432) 1.431 7.966 ( 1.576 1.739 -0.058) 2.348 8.003 ( 2.988 -0.327 0.486) 3.045 8.197 ( -2.116 -0.149 -1.193) 2.434 8.233 ( -0.843 -1.582 0.952) 2.029 8.544 ( -0.481 0.546 0.189) 0.752 8.559 ( -0.315 -0.053 0.124) 0.343 8.668 ( 0.776 -0.822 -0.716) 1.338 8.681 ( 0.957 -1.521 -0.571) 1.885 8.787 ( -1.223 1.967 0.587) 2.389 8.802 ( -1.113 1.318 0.457) 1.785 8.932 ( 2.005 1.213 0.124) 2.347 8.949 ( 2.207 0.319 -0.032) 2.230 9.087 ( -0.739 1.411 1.180) 1.982 9.117 ( 1.417 0.441 -1.736) 2.284 9.300 ( -2.550 -0.533 1.152) 2.848 9.332 ( -0.536 -1.452 -0.861) 1.771======================= Grid point 92 (49/56) =======================q-point: ( 0.40 0.42 -0.67)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.811 ( 0.209 2.432 0.071) 2.442 0.844 ( -2.892 1.765 0.786) 3.478 0.865 ( 0.026 0.564 -0.287) 0.633 0.880 ( 0.716 2.115 -0.208) 2.243 0.930 ( -0.768 -0.548 0.588) 1.112 0.937 ( 0.094 -0.500 -0.069) 0.513 0.993 ( 0.376 2.761 -0.370) 2.811 1.009 ( -1.463 1.083 -0.374) 1.859 1.015 ( 0.882 0.477 -0.733) 1.242 1.030 ( -0.774 -0.025 -1.290) 1.505 1.069 ( 0.193 -0.007 -0.098) 0.216 1.082 ( -0.374 0.096 -0.002) 0.386 1.133 ( -0.334 1.744 0.989) 2.033 1.147 ( -0.353 0.234 0.355) 0.553 1.160 ( 0.419 1.088 0.397) 1.232 1.171 ( 0.244 2.663 -0.625) 2.746 1.179 ( 0.436 1.315 1.337) 1.925 1.210 ( 0.906 0.904 -0.108) 1.284 1.259 ( -0.608 1.171 -0.886) 1.589 1.269 ( -0.315 -0.056 -0.674) 0.746 1.300 ( 0.326 1.823 -0.717) 1.985 1.361 ( -1.032 0.297 1.124) 1.555 1.363 ( -0.210 2.760 -1.126) 2.988 1.398 ( 1.200 1.807 0.321) 2.193 1.489 ( 1.264 0.409 1.726) 2.179 1.515 ( -1.047 -0.846 -0.526) 1.445 1.538 ( 0.483 -1.409 -1.031) 1.811 1.579 ( -0.065 -1.363 -0.765) 1.564 1.616 ( -1.350 -0.212 -1.005) 1.697 1.630 ( 0.210 -0.772 2.936) 3.043 1.676 ( 1.048 -0.117 0.624) 1.225 1.694 ( -1.300 -0.213 -2.452) 2.783 1.901 ( 0.912 -1.079 -1.879) 2.351 1.922 ( -0.153 -2.068 -1.086) 2.341 1.984 ( 1.299 -0.273 -0.837) 1.569 2.027 ( 1.095 -2.195 -0.820) 2.586 2.219 ( 3.838 0.318 0.772) 3.928 2.250 ( 1.595 -1.833 1.231) 2.724 2.370 ( -0.965 2.013 2.038) 3.023 2.393 ( -1.285 1.137 1.617) 2.357 2.409 ( -0.637 0.352 0.456) 0.859 2.480 ( -2.302 -1.315 -0.600) 2.718 2.618 ( 0.855 -0.395 1.798) 2.030 2.644 ( -0.055 -1.426 0.811) 1.641 2.799 ( -1.164 2.134 1.236) 2.727 2.823 ( -0.382 -0.115 -1.111) 1.181 2.863 ( 0.631 1.662 -1.387) 2.255 2.898 ( -2.293 1.527 -1.163) 2.990 3.700 ( 0.108 0.707 -0.349) 0.796 3.719 ( -0.194 1.196 -0.056) 1.213 3.796 ( 0.094 -3.583 0.822) 3.677 3.825 ( 0.287 -3.532 0.101) 3.545 4.026 ( -1.430 -0.616 1.922) 2.474 4.085 ( 0.164 -3.471 -1.691) 3.864 4.295 ( 0.648 0.328 0.102) 0.734 4.307 ( 0.828 -0.041 -0.820) 1.166 4.934 ( -0.013 1.161 0.334) 1.208 4.942 ( 0.685 0.506 -0.493) 0.984 5.098 ( -1.596 1.584 1.597) 2.758 5.176 ( -0.458 -2.079 -2.182) 3.048 5.595 ( 0.192 0.847 0.748) 1.146 5.614 ( 0.120 0.475 0.589) 0.767 5.771 ( -0.421 1.092 -1.152) 1.642 5.795 ( -0.099 0.641 -1.052) 1.236 5.921 ( 0.633 1.282 1.605) 2.149 5.975 ( 1.178 -0.869 -1.504) 2.099 6.057 ( 0.616 0.910 2.003) 2.285 6.100 ( 1.438 -0.502 -0.440) 1.586 6.135 ( -0.418 0.459 -0.244) 0.667 6.146 ( -0.380 -0.172 -0.797) 0.900 6.208 ( -0.329 1.643 0.762) 1.840 6.241 ( -0.083 0.283 0.065) 0.302 6.917 ( -0.977 -0.656 0.779) 1.411 6.961 ( -1.880 -2.438 -0.640) 3.144 7.080 ( -0.509 -1.663 0.472) 1.802 7.114 ( -0.473 -3.187 -0.762) 3.310 7.780 ( -0.389 1.302 -0.089) 1.362 7.790 ( 2.265 1.262 0.864) 2.733 7.808 ( 0.431 2.215 -0.893) 2.427 7.851 ( -0.752 1.342 0.034) 1.538 8.010 ( 1.853 0.902 0.770) 2.200 8.042 ( 1.189 -1.081 -0.617) 1.721 8.168 ( 0.100 -0.357 0.303) 0.478 8.212 ( -2.001 -2.424 0.063) 3.144 8.543 ( 0.021 0.742 0.251) 0.784 8.551 ( -0.513 0.531 0.053) 0.740 8.675 ( 0.901 -0.509 -0.643) 1.218 8.683 ( 0.405 -0.953 -0.857) 1.345 8.781 ( -0.451 1.404 0.578) 1.583 8.788 ( -0.831 1.142 0.238) 1.432 8.968 ( 1.339 0.945 0.323) 1.670 8.979 ( 0.911 0.063 -0.000) 0.913 9.089 ( -0.877 1.143 1.480) 2.065 9.126 ( 2.015 -0.220 -1.901) 2.779 9.270 ( -2.372 -0.154 1.546) 2.835 9.308 ( -0.258 -1.294 -1.347) 1.886======================= Grid point 93 (50/56) =======================q-point: (-0.40 0.42 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.812 ( -0.131 1.614 0.286) 1.644 0.852 ( 1.068 -0.294 -0.929) 1.446 0.868 ( 1.014 2.959 1.404) 3.429 0.882 ( 0.158 1.795 -1.201) 2.165 0.920 ( -0.594 -0.023 1.039) 1.197 0.944 ( 1.448 0.959 -0.356) 1.773 0.970 ( -1.083 1.703 0.563) 2.095 0.999 ( -0.865 -0.144 0.171) 0.893 1.021 ( 1.120 1.066 -0.858) 1.769 1.029 ( 2.271 1.404 -1.123) 2.896 1.073 ( -0.546 1.040 0.357) 1.228 1.081 ( 0.281 0.717 -0.067) 0.773 1.139 ( -0.370 1.416 0.372) 1.510 1.147 ( 0.320 0.851 0.465) 1.021 1.157 ( -0.646 2.036 -0.485) 2.190 1.173 ( 0.672 1.124 -0.105) 1.314 1.198 ( -0.876 1.134 0.856) 1.669 1.212 ( -0.313 1.229 -0.869) 1.538 1.249 ( 0.069 0.517 0.544) 0.754 1.258 ( 0.124 1.200 -0.975) 1.551 1.306 ( -0.792 1.061 -0.752) 1.523 1.321 ( 1.173 2.408 0.175) 2.684 1.377 ( -1.363 0.915 1.880) 2.496 1.411 ( 0.534 0.983 -1.009) 1.507 1.497 ( -1.607 -0.923 0.943) 2.080 1.529 ( -0.234 -2.431 -1.324) 2.778 1.546 ( 1.738 0.153 2.234) 2.835 1.564 ( 0.113 0.190 -2.296) 2.307 1.589 ( -0.565 -1.192 1.801) 2.232 1.624 ( 0.871 -1.906 -1.509) 2.583 1.676 ( -0.887 0.375 1.100) 1.462 1.694 ( -0.109 -0.190 -0.445) 0.496 1.893 ( -0.666 -0.622 -1.207) 1.512 1.908 ( 1.253 -1.239 -0.325) 1.792 1.994 ( -1.077 -1.265 0.381) 1.704 2.011 ( -0.336 -2.680 -1.728) 3.206 2.235 ( -4.020 0.859 -0.109) 4.112 2.251 ( -1.556 -0.208 0.877) 1.798 2.382 ( 0.398 1.650 1.070) 2.006 2.408 ( 1.869 1.197 0.290) 2.238 2.437 ( 0.121 0.323 0.425) 0.547 2.458 ( 2.051 -0.902 -0.004) 2.241 2.639 ( -0.532 -0.897 0.643) 1.225 2.661 ( 1.392 -1.637 -0.276) 2.166 2.778 ( -2.151 0.607 1.904) 2.936 2.825 ( -0.484 -1.733 -0.003) 1.799 2.855 ( 1.572 3.184 -1.406) 3.819 2.886 ( 2.635 1.593 -0.705) 3.159 3.704 ( -0.131 1.475 -0.013) 1.481 3.716 ( 0.965 0.612 -0.725) 1.353 3.807 ( -0.561 -2.857 1.447) 3.252 3.821 ( -0.155 -3.884 -0.660) 3.943 4.040 ( -0.020 -1.528 2.207) 2.684 4.073 ( 1.273 -2.806 -2.090) 3.724 4.287 ( -1.554 0.656 0.343) 1.721 4.305 ( -0.220 -0.158 -0.547) 0.610 4.929 ( -0.911 1.390 0.275) 1.684 4.950 ( 0.654 0.599 -0.606) 1.074 5.115 ( 0.297 0.333 2.301) 2.344 5.149 ( 1.358 -0.877 -2.290) 2.803 5.607 ( -0.364 1.170 0.782) 1.454 5.617 ( 0.021 0.956 -0.343) 1.016 5.764 ( 0.219 0.243 0.788) 0.853 5.778 ( 0.281 0.087 -1.448) 1.478 5.942 ( -0.888 0.845 1.645) 2.051 5.958 ( -0.783 0.270 -1.620) 1.820 6.077 ( -1.298 0.454 1.650) 2.148 6.095 ( -0.903 -0.196 -1.242) 1.548 6.131 ( 0.099 0.403 -0.325) 0.527 6.135 ( 0.553 0.430 -0.051) 0.702 6.223 ( 0.288 0.893 1.349) 1.643 6.237 ( 0.422 0.350 -0.987) 1.129 6.926 ( 0.283 -0.786 0.566) 1.009 6.953 ( 2.555 -2.336 -0.473) 3.494 7.092 ( 0.467 -2.256 0.706) 2.410 7.100 ( 0.448 -2.741 -0.833) 2.899 7.781 ( -1.113 2.706 0.869) 3.053 7.792 ( -0.334 2.140 -0.879) 2.337 7.816 ( -1.363 0.585 -0.985) 1.780 7.839 ( 1.263 0.656 1.007) 1.743 8.012 ( -2.363 0.756 0.709) 2.581 8.039 ( -0.944 -0.614 -0.532) 1.245 8.181 ( -0.320 -0.864 -0.587) 1.092 8.206 ( 2.542 -2.065 0.583) 3.327 8.546 ( -0.205 0.714 0.140) 0.756 8.548 ( 0.162 0.507 0.171) 0.559 8.676 ( -0.016 -0.461 -0.798) 0.922 8.680 ( 0.385 -0.558 -0.522) 0.855 8.780 ( -0.356 1.259 0.553) 1.420 8.786 ( 0.236 0.932 0.382) 1.034 8.973 ( -1.562 0.489 0.076) 1.638 8.976 ( -0.922 0.473 0.150) 1.047 9.090 ( -0.980 1.250 1.286) 2.044 9.131 ( 1.266 -0.821 -2.105) 2.590 9.269 ( -0.024 0.328 1.878) 1.906 9.303 ( 1.677 -1.289 -1.337) 2.502======================= Grid point 94 (51/56) =======================q-point: (-0.20 0.42 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.835 ( 2.401 2.349 -0.425) 3.386 0.850 ( -0.256 2.680 1.653) 3.159 0.858 ( -0.676 2.428 -0.262) 2.534 0.909 ( 0.184 -0.732 0.690) 1.023 0.929 ( 1.317 2.213 -1.420) 2.941 0.960 ( -0.047 0.679 -0.413) 0.796 0.976 ( -1.169 0.282 0.173) 1.215 0.988 ( 1.130 1.670 0.692) 2.132 1.041 ( 1.293 0.907 0.559) 1.675 1.049 ( 0.603 0.931 -1.062) 1.536 1.058 ( -0.735 1.825 -0.160) 1.974 1.091 ( 0.882 -0.606 0.238) 1.096 1.129 ( -1.090 0.753 -0.383) 1.379 1.140 ( -1.038 1.990 0.890) 2.414 1.156 ( -1.161 1.733 -0.543) 2.156 1.168 ( 0.601 0.789 0.239) 1.020 1.186 ( -0.122 1.250 -0.200) 1.272 1.207 ( 1.287 1.332 -0.662) 1.967 1.257 ( 0.310 1.874 0.870) 2.089 1.274 ( 0.898 -0.102 0.981) 1.334 1.288 ( -0.490 0.739 0.345) 0.951 1.350 ( 0.008 1.559 0.919) 1.810 1.370 ( -1.547 1.075 0.659) 1.995 1.395 ( 0.732 1.181 -1.692) 2.189 1.487 ( 0.230 -0.661 -0.554) 0.892 1.519 ( -0.279 -2.013 0.842) 2.199 1.545 ( 1.568 -0.946 -0.647) 1.942 1.578 ( 0.217 -2.676 0.007) 2.684 1.622 ( 0.668 0.512 1.289) 1.539 1.643 ( -0.656 -0.156 -0.869) 1.100 1.663 ( -0.158 0.814 0.449) 0.943 1.698 ( 0.843 -0.251 1.184) 1.474 1.873 ( -0.492 0.329 0.796) 0.992 1.927 ( 0.037 -1.910 -0.908) 2.115 1.965 ( -0.250 0.186 -0.183) 0.362 1.999 ( -0.929 -2.507 0.777) 2.784 2.125 ( -6.183 1.645 -0.463) 6.415 2.205 ( -3.674 -2.836 -0.383) 4.657 2.382 ( -0.041 2.101 -0.743) 2.229 2.405 ( -1.113 1.097 -0.727) 1.724 2.479 ( 4.760 0.857 -0.982) 4.935 2.531 ( 3.418 -0.917 0.780) 3.624 2.628 ( -0.015 -1.625 -1.631) 2.302 2.654 ( -0.697 -2.398 -1.966) 3.178 2.773 ( -1.210 -0.660 2.213) 2.607 2.822 ( -0.279 -1.965 1.230) 2.335 2.896 ( 3.085 3.996 -0.540) 5.077 2.929 ( 1.687 2.359 0.524) 2.947 3.698 ( 0.015 1.135 0.029) 1.135 3.733 ( 1.240 0.886 -0.293) 1.552 3.796 ( -0.913 -2.462 -0.591) 2.692 3.816 ( -0.437 -4.606 0.024) 4.626 4.068 ( 0.122 -1.853 1.683) 2.506 4.082 ( 2.490 -1.780 -1.950) 3.629 4.263 ( -1.704 0.378 0.858) 1.945 4.286 ( -1.443 -0.848 0.132) 1.679 4.918 ( -0.545 1.837 0.410) 1.959 4.946 ( 0.080 0.755 -0.641) 0.994 5.146 ( 1.905 0.574 -0.069) 1.990 5.170 ( 0.904 -0.821 0.760) 1.438 5.598 ( -0.351 1.106 -0.493) 1.261 5.613 ( -0.182 0.800 -0.200) 0.845 5.776 ( 0.478 0.451 -0.074) 0.661 5.787 ( 0.402 0.319 1.195) 1.301 5.921 ( -0.755 -0.044 -1.300) 1.504 5.932 ( -1.978 -0.600 1.015) 2.303 6.049 ( -1.672 0.686 -0.538) 1.885 6.064 ( -1.591 0.336 0.016) 1.626 6.139 ( 0.426 0.682 0.665) 1.043 6.147 ( 0.382 0.318 0.234) 0.549 6.232 ( 0.857 0.959 -1.411) 1.909 6.240 ( 0.053 0.742 0.413) 0.851 6.955 ( 2.835 -0.565 -0.142) 2.894 7.001 ( 1.981 -2.810 -0.009) 3.439 7.099 ( 0.952 -1.958 -0.247) 2.191 7.118 ( 0.578 -2.442 0.614) 2.583 7.747 ( -1.695 2.168 0.245) 2.763 7.788 ( -0.166 0.481 0.083) 0.516 7.806 ( 0.421 0.776 -0.510) 1.019 7.839 ( -1.789 0.001 0.309) 1.816 7.972 ( -2.798 1.274 -0.447) 3.106 8.006 ( -1.450 -0.214 0.402) 1.520 8.184 ( 1.180 0.542 -0.193) 1.313 8.250 ( 1.707 -2.479 -0.309) 3.026 8.546 ( 0.188 0.657 0.067) 0.687 8.554 ( 0.027 0.308 0.424) 0.525 8.665 ( -0.151 -0.609 -0.564) 0.844 8.677 ( -0.169 -1.094 -0.298) 1.147 8.788 ( 0.510 1.760 0.500) 1.899 8.802 ( 0.795 0.769 0.474) 1.203 8.933 ( -2.568 1.046 0.073) 2.774 8.949 ( -1.935 0.417 -0.038) 1.980 9.088 ( -0.738 1.579 0.897) 1.960 9.125 ( 0.943 -0.254 -1.977) 2.205 9.301 ( 0.751 0.019 1.505) 1.682 9.325 ( 1.839 -1.441 -0.775) 2.462======================= Grid point 95 (52/56) =======================q-point: ( 0.00 -0.50 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 53Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.882 ( -0.552 -1.121 0.025) 1.250 0.882 ( -0.552 1.121 0.025) 1.250 0.893 ( 0.903 -0.489 -0.280) 1.065 0.893 ( 0.903 0.489 -0.280) 1.065 0.949 ( -0.589 -0.741 -0.793) 1.235 0.949 ( -0.589 0.741 -0.793) 1.235 0.993 ( -0.123 -1.032 0.367) 1.102 0.993 ( -0.123 1.032 0.367) 1.102 1.056 ( -0.058 -0.297 -0.418) 0.517 1.056 ( -0.058 0.297 -0.418) 0.517 1.069 ( 0.192 -0.296 -0.748) 0.827 1.069 ( 0.192 0.296 -0.748) 0.827 1.138 ( 0.403 -0.605 -0.134) 0.739 1.138 ( 0.403 0.605 -0.134) 0.739 1.176 ( -0.163 -0.808 0.425) 0.928 1.176 ( -0.163 0.808 0.425) 0.928 1.222 ( 0.014 -1.159 -0.388) 1.222 1.222 ( 0.014 1.159 -0.388) 1.222 1.271 ( -0.430 -1.474 0.649) 1.667 1.271 ( -0.430 1.474 0.649) 1.667 1.340 ( -0.148 -1.372 0.337) 1.421 1.340 ( -0.148 1.372 0.337) 1.421 1.398 ( 0.303 -0.679 -0.153) 0.759 1.398 ( 0.303 0.679 -0.153) 0.759 1.521 ( -0.269 -1.765 3.076) 3.557 1.521 ( -0.269 1.765 3.076) 3.557 1.556 ( 1.514 -1.061 0.753) 1.996 1.556 ( 1.514 1.061 0.753) 1.996 1.627 ( -0.697 -0.567 -0.736) 1.161 1.627 ( -0.697 0.567 -0.736) 1.161 1.676 ( -0.751 -0.502 -1.372) 1.642 1.676 ( -0.751 0.502 -1.372) 1.642 1.889 ( -0.069 -0.258 -0.055) 0.273 1.889 ( -0.069 0.258 -0.055) 0.273 2.002 ( 0.882 -1.160 1.508) 2.097 2.002 ( 0.882 1.160 1.508) 2.097 2.090 ( 0.086 -1.382 -0.674) 1.540 2.090 ( 0.086 1.382 -0.674) 1.540 2.390 ( -0.276 -0.236 -1.191) 1.245 2.390 ( -0.276 0.236 -1.191) 1.245 2.535 ( 0.027 -0.786 -0.282) 0.836 2.535 ( 0.027 0.786 -0.282) 0.836 2.576 ( -0.233 -0.516 -1.737) 1.827 2.576 ( -0.233 0.516 -1.737) 1.827 2.810 ( -0.160 -1.047 1.913) 2.187 2.810 ( -0.160 1.047 1.913) 2.187 2.971 ( 0.041 -0.293 0.119) 0.318 2.971 ( 0.041 0.293 0.119) 0.318 3.737 ( -0.245 -2.250 0.242) 2.276 3.737 ( -0.245 2.250 0.242) 2.276 3.751 ( 0.529 -0.925 -0.889) 1.388 3.751 ( 0.529 0.925 -0.889) 1.388 4.075 ( -0.254 -1.023 0.248) 1.083 4.075 ( -0.254 1.023 0.248) 1.083 4.257 ( 0.077 -0.544 0.194) 0.583 4.257 ( 0.077 0.544 0.194) 0.583 4.948 ( 0.000 -0.625 0.204) 0.658 4.948 ( 0.000 0.625 0.204) 0.658 5.170 ( -0.000 -0.485 -0.157) 0.509 5.170 ( -0.000 0.485 -0.157) 0.509 5.603 ( -0.075 -0.357 -0.539) 0.651 5.603 ( -0.075 0.357 -0.539) 0.651 5.802 ( 0.114 -0.419 0.807) 0.916 5.802 ( 0.114 0.419 0.807) 0.916 5.905 ( -0.027 -0.448 0.252) 0.514 5.905 ( -0.027 0.448 0.252) 0.514 6.043 ( 0.062 -0.514 -0.558) 0.761 6.043 ( 0.062 0.514 -0.558) 0.761 6.156 ( -0.125 -0.129 0.285) 0.337 6.156 ( -0.125 0.129 0.285) 0.337 6.245 ( 0.027 -0.301 -0.317) 0.438 6.245 ( 0.027 0.301 -0.317) 0.438 6.989 ( 0.102 -0.208 0.027) 0.233 6.989 ( 0.102 0.208 0.027) 0.233 7.097 ( -0.054 -0.297 0.115) 0.323 7.097 ( -0.054 0.297 0.115) 0.323 7.758 ( -0.083 -0.496 0.051) 0.505 7.758 ( -0.083 0.496 0.051) 0.505 7.819 ( 0.153 -0.162 -0.015) 0.223 7.819 ( 0.153 0.162 -0.015) 0.223 7.978 ( -0.196 -0.786 -0.139) 0.822 7.978 ( -0.196 0.786 -0.139) 0.822 8.224 ( 0.112 -0.953 -0.053) 0.961 8.224 ( 0.112 0.953 -0.053) 0.961 8.555 ( -0.207 -0.085 0.079) 0.237 8.555 ( -0.207 0.085 0.079) 0.237 8.655 ( 0.384 -0.164 -0.396) 0.576 8.655 ( 0.384 0.164 -0.396) 0.576 8.822 ( -0.264 -0.149 0.515) 0.598 8.822 ( -0.264 0.149 0.515) 0.598 8.925 ( 0.070 -0.486 -0.055) 0.494 8.925 ( 0.070 0.486 -0.055) 0.494 9.115 ( -0.033 -0.891 -0.047) 0.893 9.115 ( -0.033 0.891 -0.047) 0.893 9.318 ( 0.042 -0.578 -0.039) 0.581 9.318 ( 0.042 0.578 -0.039) 0.581======================= Grid point 97 (53/56) =======================q-point: ( 0.20 -0.50 -0.67)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 53Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.872 ( -0.810 -0.637 0.282) 1.068 0.872 ( -0.810 0.637 0.282) 1.068 0.888 ( -0.465 -1.441 -0.721) 1.677 0.888 ( -0.465 1.441 -0.721) 1.677 0.936 ( -0.967 -0.762 0.839) 1.489 0.936 ( -0.967 0.762 0.839) 1.489 1.005 ( 0.874 -0.811 0.298) 1.229 1.005 ( 0.874 0.811 0.298) 1.229 1.056 ( -0.792 -0.864 -0.262) 1.201 1.056 ( -0.792 0.864 -0.262) 1.201 1.062 ( 0.301 -1.049 0.118) 1.097 1.062 ( 0.301 1.049 0.118) 1.097 1.139 ( 0.066 -0.638 -0.588) 0.870 1.139 ( 0.066 0.638 -0.588) 0.870 1.186 ( 0.543 -0.796 0.323) 1.016 1.186 ( 0.543 0.796 0.323) 1.016 1.211 ( -0.493 -0.545 -0.056) 0.738 1.211 ( -0.493 0.545 -0.056) 0.738 1.275 ( -0.254 -0.235 0.497) 0.606 1.275 ( -0.254 0.235 0.497) 0.606 1.335 ( -0.663 -0.636 0.146) 0.930 1.335 ( -0.663 0.636 0.146) 0.930 1.403 ( 0.779 -0.418 -0.456) 0.995 1.403 ( 0.779 0.418 -0.456) 0.995 1.523 ( -1.863 -1.636 -0.613) 2.554 1.523 ( -1.863 1.637 -0.613) 2.554 1.554 ( 0.421 -1.603 -0.896) 1.884 1.554 ( 0.421 1.603 -0.896) 1.884 1.597 ( -0.852 -0.564 1.154) 1.541 1.597 ( -0.852 0.564 1.154) 1.541 1.697 ( 0.890 -1.619 0.233) 1.862 1.697 ( 0.890 1.619 0.233) 1.862 1.892 ( 0.431 -0.397 -0.055) 0.589 1.892 ( 0.431 0.397 -0.055) 0.589 2.001 ( 0.040 -0.791 -0.963) 1.247 2.001 ( 0.040 0.791 -0.963) 1.247 2.144 ( 4.803 -1.091 -0.298) 4.934 2.144 ( 4.803 1.091 -0.298) 4.934 2.384 ( 0.110 -0.737 0.795) 1.090 2.384 ( 0.110 0.737 0.795) 1.090 2.485 ( -3.915 -1.342 0.286) 4.149 2.485 ( -3.915 1.342 0.286) 4.149 2.597 ( 1.783 -1.142 0.180) 2.125 2.597 ( 1.783 1.142 0.180) 2.125 2.815 ( -0.240 -0.561 0.124) 0.622 2.815 ( -0.240 0.561 0.124) 0.622 2.954 ( -1.908 -0.819 -0.181) 2.084 2.954 ( -1.908 0.819 -0.181) 2.084 3.730 ( -0.594 -1.657 0.062) 1.761 3.730 ( -0.594 1.657 0.062) 1.761 3.756 ( 0.824 -2.164 -0.401) 2.350 3.756 ( 0.824 2.164 -0.401) 2.350 4.058 ( -1.692 -1.604 0.352) 2.358 4.058 ( -1.692 1.604 0.352) 2.358 4.278 ( 1.872 -0.625 -0.133) 1.978 4.278 ( 1.872 0.625 -0.133) 1.978 4.947 ( -0.210 -0.186 -0.012) 0.281 4.947 ( -0.210 0.186 -0.012) 0.281 5.157 ( -1.140 -1.812 -0.013) 2.140 5.157 ( -1.140 1.812 -0.013) 2.140 5.601 ( 0.026 -0.391 0.241) 0.460 5.601 ( 0.026 0.391 0.241) 0.460 5.808 ( 0.093 -0.253 -0.414) 0.494 5.808 ( 0.093 0.253 -0.414) 0.494 5.920 ( 1.355 -1.456 0.078) 1.991 5.920 ( 1.355 1.456 0.078) 1.991 6.053 ( 1.354 -1.026 0.024) 1.699 6.053 ( 1.354 1.026 0.024) 1.699 6.152 ( -0.508 -0.289 0.113) 0.595 6.152 ( -0.508 0.289 0.113) 0.595 6.240 ( -0.348 -0.517 0.019) 0.624 6.240 ( -0.348 0.517 0.019) 0.624 6.963 ( -2.497 -1.303 -0.142) 2.820 6.963 ( -2.497 1.303 -0.142) 2.820 7.089 ( -0.859 -0.689 0.046) 1.102 7.089 ( -0.859 0.689 0.046) 1.102 7.779 ( 1.493 -1.286 -0.082) 1.972 7.779 ( 1.493 1.286 -0.082) 1.972 7.825 ( 1.118 -1.187 0.066) 1.632 7.825 ( 1.118 1.187 0.066) 1.632 7.994 ( 1.637 -0.941 0.210) 1.900 7.994 ( 1.637 0.941 0.210) 1.900 8.206 ( -1.757 -1.039 -0.131) 2.045 8.206 ( -1.757 1.039 -0.131) 2.045 8.554 ( -0.141 -0.460 0.270) 0.552 8.554 ( -0.141 0.460 0.270) 0.552 8.662 ( 0.908 -0.332 -0.556) 1.115 8.662 ( 0.908 0.332 -0.556) 1.115 8.812 ( -1.174 -0.411 0.353) 1.293 8.812 ( -1.174 0.411 0.353) 1.293 8.948 ( 2.097 -0.473 -0.101) 2.152 8.948 ( 2.097 0.473 -0.101) 2.152 9.113 ( -0.160 -0.958 0.090) 0.975 9.113 ( -0.160 0.958 0.090) 0.975 9.305 ( -1.284 -1.030 -0.073) 1.648 9.305 ( -1.284 1.030 -0.073) 1.648======================= Grid point 99 (54/56) =======================q-point: ( 0.40 -0.50 -0.67)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 53Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.845 ( -1.216 -1.075 -0.818) 1.817 0.845 ( -1.216 1.075 -0.818) 1.817 0.892 ( 0.766 -1.439 0.634) 1.749 0.892 ( 0.766 1.439 0.634) 1.749 0.924 ( -1.405 -0.748 0.840) 1.799 0.924 ( -1.405 0.748 0.840) 1.799 1.018 ( -0.054 -0.628 -1.386) 1.522 1.018 ( -0.054 0.628 -1.386) 1.522 1.026 ( -0.756 -0.346 0.456) 0.948 1.026 ( -0.756 0.346 0.456) 0.948 1.072 ( 0.179 -0.865 0.965) 1.309 1.072 ( 0.179 0.865 0.965) 1.309 1.144 ( 0.271 -0.258 0.746) 0.835 1.144 ( 0.271 0.258 0.746) 0.835 1.191 ( -0.317 -0.742 0.099) 0.813 1.191 ( -0.317 0.742 0.099) 0.813 1.215 ( 0.723 -0.827 0.085) 1.101 1.215 ( 0.723 0.827 0.085) 1.101 1.263 ( -0.456 -0.188 -0.703) 0.859 1.263 ( -0.456 0.188 -0.703) 0.859 1.342 ( 0.043 -2.007 1.489) 2.500 1.342 ( 0.043 2.007 1.489) 2.500 1.408 ( 0.716 -0.992 -1.096) 1.643 1.408 ( 0.716 0.992 -1.096) 1.643 1.509 ( -0.005 -1.055 0.225) 1.079 1.509 ( -0.005 1.055 0.225) 1.079 1.528 ( 0.115 -2.739 -2.559) 3.750 1.528 ( 0.115 2.739 -2.559) 3.750 1.619 ( -0.418 -0.277 1.331) 1.423 1.619 ( -0.418 0.277 1.331) 1.423 1.682 ( -0.285 -0.827 -1.174) 1.464 1.682 ( -0.285 0.827 -1.174) 1.464 1.894 ( 0.349 -0.600 -0.762) 1.031 1.894 ( 0.349 0.600 -0.762) 1.031 1.995 ( 0.717 -1.188 -1.466) 2.019 1.995 ( 0.717 1.188 -1.466) 2.019 2.225 ( 2.848 -0.599 1.710) 3.376 2.225 ( 2.848 0.599 1.710) 3.376 2.402 ( 0.223 -0.579 1.195) 1.346 2.402 ( 0.223 0.580 1.195) 1.347 2.428 ( -2.925 -2.823 0.968) 4.179 2.428 ( -2.925 2.823 0.968) 4.179 2.623 ( 0.646 -0.699 0.878) 1.295 2.623 ( 0.646 0.699 0.878) 1.295 2.819 ( 0.906 -0.721 -0.903) 1.468 2.819 ( 0.906 0.721 -0.903) 1.468 2.904 ( -2.351 -1.268 -0.996) 2.851 2.904 ( -2.351 1.268 -0.996) 2.851 3.722 ( -0.254 -1.573 -0.003) 1.594 3.722 ( -0.254 1.573 -0.003) 1.594 3.768 ( 0.602 -1.872 0.296) 1.988 3.768 ( 0.602 1.872 0.296) 1.988 4.037 ( -0.955 -1.538 0.284) 1.832 4.037 ( -0.955 1.538 0.284) 1.832 4.303 ( 1.028 -0.377 -0.368) 1.155 4.303 ( 1.028 0.377 -0.368) 1.155 4.946 ( -0.015 -0.224 0.255) 0.340 4.946 ( -0.015 0.224 0.255) 0.340 5.135 ( -0.861 -2.071 -0.463) 2.291 5.135 ( -0.861 2.071 -0.463) 2.291 5.611 ( 0.080 -0.650 1.175) 1.345 5.611 ( 0.080 0.650 1.175) 1.345 5.791 ( -0.156 -0.850 -2.038) 2.214 5.791 ( -0.156 0.850 -2.038) 2.214 5.948 ( 1.041 -1.491 0.625) 1.923 5.948 ( 1.041 1.491 0.625) 1.923 6.081 ( 1.031 -1.274 0.542) 1.726 6.081 ( 1.031 1.274 0.542) 1.726 6.142 ( -0.470 -0.236 -0.159) 0.549 6.142 ( -0.470 0.236 -0.159) 0.549 6.235 ( -0.326 -0.937 0.085) 0.995 6.235 ( -0.326 0.937 0.085) 0.995 6.924 ( -1.272 -1.252 -0.028) 1.785 6.924 ( -1.272 1.252 -0.028) 1.785 7.073 ( -0.619 -0.900 -0.195) 1.110 7.073 ( -0.619 0.900 -0.195) 1.110 7.795 ( 0.488 -0.388 0.732) 0.961 7.795 ( 0.488 0.388 0.732) 0.961 7.850 ( 0.853 -1.421 -0.702) 1.800 7.850 ( 0.853 1.421 -0.702) 1.800 8.025 ( 1.355 -0.761 0.136) 1.560 8.025 ( 1.355 0.761 0.136) 1.560 8.176 ( -1.276 -1.172 0.135) 1.738 8.176 ( -1.276 1.172 0.135) 1.738 8.554 ( -0.177 -0.279 0.183) 0.378 8.554 ( -0.177 0.279 0.183) 0.378 8.670 ( 0.695 -0.227 -0.474) 0.872 8.670 ( 0.695 0.227 -0.474) 0.872 8.798 ( -0.619 -0.183 0.146) 0.662 8.798 ( -0.619 0.184 0.146) 0.662 8.978 ( 1.201 -0.187 -0.146) 1.224 8.978 ( 1.201 0.187 -0.146) 1.224 9.113 ( -0.098 -1.071 0.266) 1.108 9.113 ( -0.098 1.071 0.266) 1.108 9.282 ( -0.897 -1.228 -0.118) 1.525 9.282 ( -0.897 1.228 -0.118) 1.525======================= Grid point 101 (55/56) =======================q-point: (-0.40 -0.50 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 53Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.838 ( 1.296 -1.047 -0.244) 1.684 0.838 ( 1.296 1.047 -0.244) 1.684 0.900 ( -0.732 -0.691 -0.004) 1.006 0.900 ( -0.732 0.691 -0.004) 1.006 0.932 ( 1.757 -1.463 0.481) 2.336 0.932 ( 1.757 1.463 0.481) 2.336 0.993 ( -1.046 -0.551 0.385) 1.243 0.993 ( -1.046 0.551 0.385) 1.243 1.039 ( 1.391 -0.518 -0.560) 1.586 1.039 ( 1.391 0.518 -0.560) 1.586 1.084 ( -0.119 -0.292 0.359) 0.478 1.084 ( -0.119 0.292 0.359) 0.478 1.154 ( 0.344 -0.212 -0.091) 0.415 1.154 ( 0.344 0.212 -0.091) 0.415 1.189 ( 0.099 -0.117 0.272) 0.312 1.189 ( 0.099 0.117 0.272) 0.312 1.221 ( -0.811 -0.602 0.041) 1.011 1.221 ( -0.811 0.602 0.041) 1.011 1.251 ( -0.036 -0.685 -0.205) 0.716 1.251 ( -0.036 0.685 -0.205) 0.716 1.358 ( -0.081 -1.588 1.215) 2.001 1.358 ( -0.081 1.588 1.215) 2.001 1.392 ( -0.997 -1.971 -1.060) 2.450 1.392 ( -0.997 1.971 -1.060) 2.450 1.487 ( -0.574 -1.075 -0.288) 1.253 1.487 ( -0.574 1.075 -0.288) 1.253 1.552 ( 1.159 -0.865 -0.024) 1.446 1.552 ( 1.159 0.865 -0.024) 1.446 1.593 ( -0.142 -1.273 -0.155) 1.290 1.593 ( -0.142 1.273 -0.155) 1.291 1.685 ( 0.057 -0.583 -0.308) 0.662 1.685 ( 0.057 0.583 -0.308) 0.662 1.890 ( 0.084 -0.402 -0.265) 0.489 1.890 ( 0.084 0.402 -0.265) 0.489 1.984 ( -0.420 -0.291 -0.869) 1.008 1.984 ( -0.420 0.291 -0.869) 1.008 2.246 ( -2.590 -0.380 0.341) 2.640 2.246 ( -2.590 0.380 0.341) 2.640 2.409 ( -0.052 -1.084 0.835) 1.369 2.409 ( -0.052 1.084 0.835) 1.369 2.438 ( 2.234 -0.739 0.497) 2.405 2.438 ( 2.234 0.739 0.497) 2.405 2.638 ( 0.015 -0.672 0.130) 0.684 2.638 ( 0.015 0.672 0.130) 0.684 2.798 ( -2.123 -1.201 0.238) 2.451 2.798 ( -2.123 1.201 0.238) 2.451 2.897 ( 2.753 -0.804 -0.691) 2.950 2.897 ( 2.753 0.805 -0.691) 2.950 3.723 ( 0.368 -0.329 -0.071) 0.499 3.723 ( 0.368 0.329 -0.071) 0.499 3.775 ( -0.170 -0.230 -0.076) 0.295 3.775 ( -0.170 0.230 -0.076) 0.296 4.036 ( 0.531 -0.963 0.318) 1.145 4.036 ( 0.531 0.963 0.318) 1.145 4.300 ( -0.984 -0.509 -0.178) 1.122 4.300 ( -0.984 0.509 -0.178) 1.122 4.948 ( -0.127 -0.625 0.112) 0.647 4.948 ( -0.127 0.625 0.112) 0.647 5.130 ( 1.031 -1.008 -0.200) 1.456 5.130 ( 1.031 1.008 -0.200) 1.456 5.623 ( -0.259 -0.362 0.643) 0.782 5.623 ( -0.259 0.362 0.643) 0.782 5.770 ( 0.392 -0.509 -0.947) 1.145 5.770 ( 0.392 0.509 -0.947) 1.145 5.954 ( -1.221 -0.473 0.236) 1.330 5.954 ( -1.221 0.473 0.236) 1.330 6.087 ( -0.856 -0.503 0.023) 0.993 6.087 ( -0.856 0.503 0.023) 0.993 6.140 ( 0.277 -0.224 0.158) 0.390 6.140 ( 0.277 0.224 0.158) 0.390 6.235 ( 0.414 -0.417 0.001) 0.587 6.235 ( 0.414 0.417 0.001) 0.587 6.925 ( 1.387 -0.670 -0.079) 1.543 6.925 ( 1.387 0.670 -0.079) 1.543 7.071 ( 0.551 -0.190 -0.038) 0.584 7.071 ( 0.551 0.190 -0.038) 0.584 7.813 ( -0.055 -0.522 0.075) 0.530 7.813 ( -0.055 0.522 0.075) 0.530 7.832 ( -1.283 -1.315 -0.007) 1.837 7.832 ( -1.283 1.315 -0.007) 1.837 8.026 ( -1.542 -0.704 0.086) 1.698 8.026 ( -1.542 0.704 0.086) 1.698 8.178 ( 1.444 -0.642 -0.024) 1.581 8.178 ( 1.444 0.642 -0.024) 1.581 8.554 ( -0.104 -0.065 0.199) 0.234 8.554 ( -0.104 0.065 0.199) 0.234 8.671 ( 0.071 -0.133 -0.521) 0.543 8.671 ( 0.071 0.133 -0.521) 0.543 8.795 ( 0.037 -0.149 0.309) 0.345 8.795 ( 0.037 0.149 0.309) 0.345 8.978 ( -1.049 -0.201 -0.132) 1.076 8.978 ( -1.049 0.201 -0.132) 1.076 9.115 ( -0.085 -1.058 0.191) 1.079 9.115 ( -0.085 1.059 0.191) 1.079 9.282 ( 1.028 -0.909 -0.106) 1.377 9.282 ( 1.028 0.909 -0.106) 1.377======================= Grid point 103 (56/56) =======================q-point: (-0.20 -0.50 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 53Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.868 ( 1.515 -0.750 0.334) 1.723 0.868 ( 1.515 0.750 0.334) 1.723 0.890 ( 0.132 -1.145 -0.613) 1.305 0.890 ( 0.132 1.145 -0.613) 1.305 0.959 ( 1.029 -0.794 -0.944) 1.606 0.959 ( 1.029 0.794 -0.944) 1.606 0.991 ( -0.711 -1.388 1.390) 2.089 0.991 ( -0.711 1.388 1.390) 2.089 1.058 ( 1.179 -0.917 -0.300) 1.524 1.058 ( 1.179 0.917 -0.300) 1.524 1.075 ( -0.230 -0.823 -0.823) 1.186 1.075 ( -0.230 0.823 -0.823) 1.186 1.146 ( -0.490 -0.954 -0.918) 1.412 1.146 ( -0.490 0.954 -0.918) 1.412 1.184 ( -1.326 -0.472 0.305) 1.440 1.184 ( -1.326 0.472 0.305) 1.440 1.218 ( 1.403 -1.697 -0.581) 2.278 1.218 ( 1.403 1.697 -0.581) 2.278 1.257 ( -0.121 -0.959 1.586) 1.857 1.257 ( -0.121 0.959 1.586) 1.857 1.355 ( -1.155 -3.108 -0.781) 3.406 1.355 ( -1.155 3.108 -0.781) 3.406 1.383 ( 0.746 -0.439 1.002) 1.324 1.383 ( 0.746 0.439 1.002) 1.324 1.492 ( -0.062 -0.955 1.593) 1.858 1.492 ( -0.062 0.955 1.593) 1.858 1.530 ( 0.076 -0.409 -0.962) 1.048 1.530 ( 0.076 0.409 -0.962) 1.048 1.633 ( 0.611 -0.704 0.266) 0.969 1.633 ( 0.611 0.704 0.266) 0.969 1.686 ( 1.008 -1.141 0.557) 1.621 1.686 ( 1.008 1.141 0.557) 1.621 1.889 ( -0.051 -1.396 0.008) 1.397 1.889 ( -0.051 1.396 0.008) 1.397 1.974 ( -0.160 -0.633 0.640) 0.914 1.974 ( -0.160 0.633 0.640) 0.914 2.160 ( -5.360 -1.886 -1.110) 5.789 2.160 ( -5.360 1.886 -1.110) 5.789 2.408 ( -0.299 -0.685 -0.668) 1.002 2.408 ( -0.299 0.685 -0.668) 1.002 2.498 ( 3.797 -1.549 -0.453) 4.125 2.498 ( 3.797 1.549 -0.453) 4.125 2.621 ( -1.118 -0.785 -1.432) 1.979 2.621 ( -1.118 0.785 -1.432) 1.979 2.787 ( -0.618 -1.554 1.966) 2.581 2.787 ( -0.618 1.554 1.966) 2.581 2.947 ( 2.390 -0.880 0.287) 2.563 2.947 ( 2.390 0.880 0.287) 2.563 3.731 ( 0.533 -2.200 0.014) 2.263 3.731 ( 0.533 2.200 0.014) 2.263 3.762 ( -0.479 -1.136 -0.772) 1.455 3.762 ( -0.479 1.136 -0.772) 1.455 4.059 ( 1.330 -0.570 0.290) 1.476 4.059 ( 1.330 0.570 0.290) 1.476 4.273 ( -1.779 -0.593 0.178) 1.884 4.273 ( -1.779 0.593 0.178) 1.884 4.946 ( -0.079 -0.811 0.056) 0.817 4.946 ( -0.079 0.811 0.056) 0.817 5.157 ( 1.530 -0.606 0.034) 1.646 5.157 ( 1.530 0.606 0.034) 1.646 5.615 ( -0.381 -0.527 -0.642) 0.914 5.615 ( -0.381 0.528 -0.642) 0.914 5.783 ( 0.643 -0.416 1.030) 1.284 5.783 ( 0.643 0.416 1.030) 1.284 5.922 ( -1.924 -0.273 -0.078) 1.945 5.922 ( -1.924 0.273 -0.078) 1.945 6.062 ( -1.302 -0.490 -0.451) 1.462 6.062 ( -1.302 0.490 -0.451) 1.462 6.150 ( 0.380 -0.225 0.250) 0.507 6.150 ( 0.380 0.225 0.250) 0.507 6.244 ( 0.515 -0.318 -0.191) 0.634 6.244 ( 0.515 0.318 -0.191) 0.634 6.962 ( 2.491 -1.218 -0.080) 2.774 6.962 ( 2.491 1.218 -0.080) 2.774 7.087 ( 0.906 -0.629 0.179) 1.117 7.087 ( 0.906 0.629 0.179) 1.117 7.782 ( -1.951 -1.138 -0.249) 2.273 7.782 ( -1.951 1.138 -0.249) 2.273 7.823 ( -0.784 -1.090 0.200) 1.357 7.823 ( -0.784 1.090 0.200) 1.357 7.996 ( -1.520 -0.973 0.082) 1.807 7.996 ( -1.520 0.974 0.082) 1.807 8.207 ( 1.671 -1.765 -0.194) 2.438 8.207 ( 1.671 1.765 -0.194) 2.438 8.556 ( -0.008 -0.231 0.186) 0.297 8.556 ( -0.008 0.231 0.186) 0.297 8.661 ( -0.334 -0.349 -0.529) 0.716 8.661 ( -0.334 0.349 -0.529) 0.716 8.808 ( 0.721 -0.253 0.541) 0.936 8.808 ( 0.721 0.253 0.541) 0.936 8.947 ( -1.983 -0.457 -0.049) 2.036 8.947 ( -1.983 0.457 -0.049) 2.036 9.115 ( 0.042 -0.953 -0.021) 0.954 9.115 ( 0.042 0.953 -0.021) 0.954 9.305 ( 1.381 -0.560 -0.052) 1.491 9.305 ( 1.381 0.560 -0.052) 1.491=================== 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 3/17280 10.0 10.289 19.834 20.121 0.000 -0.993 0.000 3/17280 20.0 3.196 6.325 5.830 0.000 -0.337 0.000 3/17280 30.0 1.852 3.637 3.325 0.000 -0.207 0.000 3/17280 40.0 1.310 2.556 2.332 0.000 -0.150 0.000 3/17280 50.0 1.017 1.977 1.797 0.000 -0.118 0.000 3/17280 60.0 0.834 1.616 1.463 0.000 -0.098 0.000 3/17280 70.0 0.708 1.370 1.234 0.000 -0.083 0.000 3/17280 80.0 0.617 1.191 1.068 0.000 -0.073 0.000 3/17280 90.0 0.548 1.055 0.942 0.000 -0.065 0.000 3/17280 100.0 0.494 0.947 0.843 0.000 -0.058 0.000 3/17280 110.0 0.450 0.860 0.763 0.000 -0.053 0.000 3/17280 120.0 0.413 0.788 0.698 0.000 -0.049 0.000 3/17280 130.0 0.382 0.727 0.642 0.000 -0.045 0.000 3/17280 140.0 0.356 0.675 0.596 0.000 -0.042 0.000 3/17280 150.0 0.333 0.630 0.555 0.000 -0.039 0.000 3/17280 160.0 0.313 0.591 0.520 0.000 -0.037 0.000 3/17280 170.0 0.295 0.556 0.489 0.000 -0.035 0.000 3/17280 180.0 0.279 0.526 0.462 0.000 -0.033 0.000 3/17280 190.0 0.265 0.498 0.437 0.000 -0.031 0.000 3/17280 200.0 0.252 0.474 0.415 0.000 -0.030 0.000 3/17280 210.0 0.241 0.451 0.395 0.000 -0.029 0.000 3/17280 220.0 0.230 0.431 0.377 0.000 -0.027 0.000 3/17280 230.0 0.221 0.412 0.361 0.000 -0.026 0.000 3/17280 240.0 0.212 0.395 0.346 0.000 -0.025 0.000 3/17280 250.0 0.203 0.380 0.332 0.000 -0.024 0.000 3/17280 260.0 0.196 0.365 0.319 0.000 -0.023 0.000 3/17280 270.0 0.189 0.352 0.307 0.000 -0.023 0.000 3/17280 280.0 0.182 0.339 0.296 0.000 -0.022 0.000 3/17280 290.0 0.176 0.328 0.286 0.000 -0.021 0.000 3/17280 300.0 0.170 0.317 0.276 0.000 -0.020 0.000 3/17280 310.0 0.165 0.307 0.268 0.000 -0.020 0.000 3/17280 320.0 0.160 0.297 0.259 0.000 -0.019 0.000 3/17280 330.0 0.155 0.288 0.251 0.000 -0.019 0.000 3/17280 340.0 0.151 0.280 0.244 0.000 -0.018 0.000 3/17280 350.0 0.146 0.272 0.237 0.000 -0.018 0.000 3/17280 360.0 0.142 0.264 0.230 0.000 -0.017 0.000 3/17280 370.0 0.139 0.257 0.224 0.000 -0.017 0.000 3/17280 380.0 0.135 0.250 0.218 0.000 -0.016 0.000 3/17280 390.0 0.132 0.244 0.213 0.000 -0.016 0.000 3/17280 400.0 0.128 0.238 0.207 0.000 -0.015 0.000 3/17280 410.0 0.125 0.232 0.202 0.000 -0.015 0.000 3/17280 420.0 0.122 0.227 0.198 0.000 -0.015 0.000 3/17280 430.0 0.120 0.221 0.193 0.000 -0.014 0.000 3/17280 440.0 0.117 0.216 0.189 0.000 -0.014 0.000 3/17280 450.0 0.114 0.212 0.184 0.000 -0.014 0.000 3/17280 460.0 0.112 0.207 0.180 0.000 -0.013 0.000 3/17280 470.0 0.110 0.203 0.177 0.000 -0.013 0.000 3/17280 480.0 0.107 0.198 0.173 0.000 -0.013 0.000 3/17280 490.0 0.105 0.194 0.169 0.000 -0.013 0.000 3/17280 500.0 0.103 0.191 0.166 0.000 -0.012 0.000 3/17280 510.0 0.101 0.187 0.163 0.000 -0.012 0.000 3/17280 520.0 0.099 0.183 0.160 0.000 -0.012 0.000 3/17280 530.0 0.097 0.180 0.157 0.000 -0.012 0.000 3/17280 540.0 0.096 0.177 0.154 0.000 -0.011 0.000 3/17280 550.0 0.094 0.173 0.151 0.000 -0.011 0.000 3/17280 560.0 0.092 0.170 0.148 0.000 -0.011 0.000 3/17280 570.0 0.091 0.167 0.146 0.000 -0.011 0.000 3/17280 580.0 0.089 0.164 0.143 0.000 -0.011 0.000 3/17280 590.0 0.088 0.162 0.141 0.000 -0.011 0.000 3/17280 600.0 0.086 0.159 0.138 0.000 -0.010 0.000 3/17280 610.0 0.085 0.156 0.136 0.000 -0.010 0.000 3/17280 620.0 0.083 0.154 0.134 0.000 -0.010 0.000 3/17280 630.0 0.082 0.151 0.132 0.000 -0.010 0.000 3/17280 640.0 0.081 0.149 0.130 0.000 -0.010 0.000 3/17280 650.0 0.080 0.147 0.128 0.000 -0.010 0.000 3/17280 660.0 0.078 0.145 0.126 0.000 -0.009 0.000 3/17280 670.0 0.077 0.142 0.124 0.000 -0.009 0.000 3/17280 680.0 0.076 0.140 0.122 0.000 -0.009 0.000 3/17280 690.0 0.075 0.138 0.120 0.000 -0.009 0.000 3/17280 700.0 0.074 0.136 0.119 0.000 -0.009 0.000 3/17280 710.0 0.073 0.134 0.117 0.000 -0.009 0.000 3/17280 720.0 0.072 0.133 0.115 0.000 -0.009 0.000 3/17280 730.0 0.071 0.131 0.114 0.000 -0.009 0.000 3/17280 740.0 0.070 0.129 0.112 0.000 -0.008 0.000 3/17280 750.0 0.069 0.127 0.111 0.000 -0.008 0.000 3/17280 760.0 0.068 0.126 0.109 0.000 -0.008 0.000 3/17280 770.0 0.067 0.124 0.108 0.000 -0.008 0.000 3/17280 780.0 0.066 0.122 0.106 0.000 -0.008 0.000 3/17280 790.0 0.066 0.121 0.105 0.000 -0.008 0.000 3/17280 800.0 0.065 0.119 0.104 0.000 -0.008 0.000 3/17280 810.0 0.064 0.118 0.103 0.000 -0.008 0.000 3/17280 820.0 0.063 0.116 0.101 0.000 -0.008 0.000 3/17280 830.0 0.062 0.115 0.100 0.000 -0.008 0.000 3/17280 840.0 0.062 0.114 0.099 0.000 -0.007 0.000 3/17280 850.0 0.061 0.112 0.098 0.000 -0.007 0.000 3/17280 860.0 0.060 0.111 0.097 0.000 -0.007 0.000 3/17280 870.0 0.060 0.110 0.095 0.000 -0.007 0.000 3/17280 880.0 0.059 0.108 0.094 0.000 -0.007 0.000 3/17280 890.0 0.058 0.107 0.093 0.000 -0.007 0.000 3/17280 900.0 0.058 0.106 0.092 0.000 -0.007 0.000 3/17280 910.0 0.057 0.105 0.091 0.000 -0.007 0.000 3/17280 920.0 0.056 0.104 0.090 0.000 -0.007 0.000 3/17280 930.0 0.056 0.103 0.089 0.000 -0.007 0.000 3/17280 940.0 0.055 0.102 0.088 0.000 -0.007 0.000 3/17280 950.0 0.055 0.101 0.087 0.000 -0.007 0.000 3/17280 960.0 0.054 0.099 0.087 0.000 -0.007 0.000 3/17280 970.0 0.053 0.098 0.086 0.000 -0.006 0.000 3/17280 980.0 0.053 0.097 0.085 0.000 -0.006 0.000 3/17280 990.0 0.052 0.096 0.084 0.000 -0.006 0.000 3/17280 1000.0 0.052 0.095 0.083 0.000 -0.006 0.000 3/17280Thermal conductivity related properties were written into "kappa-m5123.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 11:47:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|