----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 01:21:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 13.111612096016076 0.000000000000000 0.000000000000000 b 0.000000000000000 6.644268210000000 0.000000000000000 c -0.026024934729879 0.000000000000000 14.307309249821435 Atomic positions (fractional): *1 Na 0.13973253979278 0.95704592202767 0.01186628897344 22.990 2 Na 0.86026746020722 0.45704592202766 0.48813371102656 22.990 3 Na 0.86026746020722 0.04295407797233 0.98813371102656 22.990 4 Na 0.13973253979278 0.54295407797233 0.51186628897344 22.990 *5 Na 0.65447335037492 0.57218737699492 0.97555125761999 22.990 6 Na 0.34552664962508 0.07218737699492 0.52444874238001 22.990 7 Na 0.34552664962508 0.42781262300508 0.02444874238001 22.990 8 Na 0.65447335037492 0.92781262300508 0.47555125761999 22.990 *9 Na 0.91714644799710 0.54463738754012 0.89030430997507 22.990 10 Na 0.08285355200290 0.04463738754012 0.60969569002493 22.990 11 Na 0.08285355200290 0.45536261245988 0.10969569002493 22.990 12 Na 0.91714644799710 0.95536261245988 0.39030430997507 22.990 *13 Na 0.43524758741483 0.91441731159659 0.09029396645439 22.990 14 Na 0.56475241258517 0.41441731159659 0.40970603354561 22.990 15 Na 0.56475241258517 0.08558268840341 0.90970603354561 22.990 16 Na 0.43524758741483 0.58558268840341 0.59029396645439 22.990 *17 Ga 0.68261140618688 0.27663985475637 0.15882634750883 69.723 18 Ga 0.31738859381312 0.77663985475637 0.34117365249117 69.723 19 Ga 0.31738859381312 0.72336014524363 0.84117365249117 69.723 20 Ga 0.68261140618688 0.22336014524363 0.65882634750883 69.723 *21 Ga 0.09068677528919 0.78067255579051 0.27187261622020 69.723 22 Ga 0.90931322471081 0.28067255579051 0.22812738377980 69.723 23 Ga 0.90931322471081 0.21932744420949 0.72812738377980 69.723 24 Ga 0.09068677528919 0.71932744420949 0.77187261622020 69.723 *25 Ga 0.81433755858642 0.75501269227391 0.16813223436843 69.723 26 Ga 0.18566244141358 0.25501269227391 0.33186776563157 69.723 27 Ga 0.18566244141358 0.24498730772609 0.83186776563157 69.723 28 Ga 0.81433755858642 0.74498730772609 0.66813223436843 69.723 *29 Ga 0.58737904120323 0.75805001353221 0.24167977606567 69.723 30 Ga 0.41262095879677 0.25805001353221 0.25832022393433 69.723 31 Ga 0.41262095879677 0.24194998646779 0.75832022393433 69.723 32 Ga 0.58737904120323 0.74194998646779 0.74167977606567 69.723 *33 As 0.97186366149864 0.95831387105375 0.16713165526892 74.922 34 As 0.02813633850136 0.45831387105375 0.33286834473108 74.922 35 As 0.02813633850136 0.04168612894625 0.83286834473108 74.922 36 As 0.97186366149864 0.54168612894625 0.66713165526892 74.922 *37 As 0.84097092498185 0.44063387755531 0.08325653395363 74.922 38 As 0.15902907501815 0.94063387755531 0.41674346604637 74.922 39 As 0.15902907501815 0.55936612244469 0.91674346604637 74.922 40 As 0.84097092498185 0.05936612244469 0.58325653395363 74.922 *41 As 0.66031539437971 0.93518261429073 0.10103142140137 74.922 42 As 0.33968460562029 0.43518261429073 0.39896857859863 74.922 43 As 0.33968460562029 0.06481738570927 0.89896857859863 74.922 44 As 0.66031539437971 0.56481738570927 0.60103142140137 74.922 *45 As 0.74935456699913 0.84272188906650 0.82663059221978 74.922 46 As 0.25064543300087 0.34272188906649 0.67336940778022 74.922 47 As 0.25064543300087 0.15727811093350 0.17336940778022 74.922 48 As 0.74935456699913 0.65727811093350 0.32663059221978 74.922 *49 As 0.52011602782428 0.46650280468400 0.15447178379623 74.922 50 As 0.47988397217572 0.96650280468400 0.34552821620377 74.922 51 As 0.47988397217572 0.53349719531600 0.84552821620377 74.922 52 As 0.52011602782428 0.03349719531600 0.65447178379623 74.922 *53 As 0.74846112260976 0.21707436024604 0.82028617844178 74.922 54 As 0.25153887739024 0.71707436024604 0.67971382155822 74.922 55 As 0.25153887739024 0.78292563975396 0.17971382155822 74.922 56 As 0.74846112260976 0.28292563975396 0.32028617844178 74.922 -------------------------------- unit cell --------------------------------- Lattice vectors: a 13.111612096016076 0.000000000000000 0.000000000000000 b 0.000000000000000 6.644268210000000 0.000000000000000 c -0.026024934729879 0.000000000000000 14.307309249821435 Atomic positions (fractional): *1 Na 0.13973253979278 0.95704592202767 0.01186628897344 22.990 > 1 2 Na 0.86026746020722 0.45704592202766 0.48813371102656 22.990 > 2 3 Na 0.86026746020722 0.04295407797233 0.98813371102656 22.990 > 3 4 Na 0.13973253979278 0.54295407797233 0.51186628897344 22.990 > 4 *5 Na 0.65447335037492 0.57218737699492 0.97555125761999 22.990 > 5 6 Na 0.34552664962508 0.07218737699492 0.52444874238001 22.990 > 6 7 Na 0.34552664962508 0.42781262300508 0.02444874238001 22.990 > 7 8 Na 0.65447335037492 0.92781262300508 0.47555125761999 22.990 > 8 *9 Na 0.91714644799710 0.54463738754012 0.89030430997507 22.990 > 9 10 Na 0.08285355200290 0.04463738754012 0.60969569002493 22.990 > 10 11 Na 0.08285355200290 0.45536261245988 0.10969569002493 22.990 > 11 12 Na 0.91714644799710 0.95536261245988 0.39030430997507 22.990 > 12 *13 Na 0.43524758741483 0.91441731159659 0.09029396645439 22.990 > 13 14 Na 0.56475241258517 0.41441731159659 0.40970603354561 22.990 > 14 15 Na 0.56475241258517 0.08558268840341 0.90970603354561 22.990 > 15 16 Na 0.43524758741483 0.58558268840341 0.59029396645439 22.990 > 16 *17 Ga 0.68261140618688 0.27663985475637 0.15882634750883 69.723 > 17 18 Ga 0.31738859381312 0.77663985475637 0.34117365249117 69.723 > 18 19 Ga 0.31738859381312 0.72336014524363 0.84117365249117 69.723 > 19 20 Ga 0.68261140618688 0.22336014524363 0.65882634750883 69.723 > 20 *21 Ga 0.09068677528919 0.78067255579051 0.27187261622020 69.723 > 21 22 Ga 0.90931322471081 0.28067255579051 0.22812738377980 69.723 > 22 23 Ga 0.90931322471081 0.21932744420949 0.72812738377980 69.723 > 23 24 Ga 0.09068677528919 0.71932744420949 0.77187261622020 69.723 > 24 *25 Ga 0.81433755858642 0.75501269227391 0.16813223436843 69.723 > 25 26 Ga 0.18566244141358 0.25501269227391 0.33186776563157 69.723 > 26 27 Ga 0.18566244141358 0.24498730772609 0.83186776563157 69.723 > 27 28 Ga 0.81433755858642 0.74498730772609 0.66813223436843 69.723 > 28 *29 Ga 0.58737904120323 0.75805001353221 0.24167977606567 69.723 > 29 30 Ga 0.41262095879677 0.25805001353221 0.25832022393433 69.723 > 30 31 Ga 0.41262095879677 0.24194998646779 0.75832022393433 69.723 > 31 32 Ga 0.58737904120323 0.74194998646779 0.74167977606567 69.723 > 32 *33 As 0.97186366149864 0.95831387105375 0.16713165526892 74.922 > 33 34 As 0.02813633850136 0.45831387105375 0.33286834473108 74.922 > 34 35 As 0.02813633850136 0.04168612894625 0.83286834473108 74.922 > 35 36 As 0.97186366149864 0.54168612894625 0.66713165526892 74.922 > 36 *37 As 0.84097092498185 0.44063387755531 0.08325653395363 74.922 > 37 38 As 0.15902907501815 0.94063387755531 0.41674346604637 74.922 > 38 39 As 0.15902907501815 0.55936612244469 0.91674346604637 74.922 > 39 40 As 0.84097092498185 0.05936612244469 0.58325653395363 74.922 > 40 *41 As 0.66031539437971 0.93518261429073 0.10103142140137 74.922 > 41 42 As 0.33968460562029 0.43518261429073 0.39896857859863 74.922 > 42 43 As 0.33968460562029 0.06481738570927 0.89896857859863 74.922 > 43 44 As 0.66031539437971 0.56481738570927 0.60103142140137 74.922 > 44 *45 As 0.74935456699913 0.84272188906650 0.82663059221978 74.922 > 45 46 As 0.25064543300087 0.34272188906649 0.67336940778022 74.922 > 46 47 As 0.25064543300087 0.15727811093350 0.17336940778022 74.922 > 47 48 As 0.74935456699913 0.65727811093350 0.32663059221978 74.922 > 48 *49 As 0.52011602782428 0.46650280468400 0.15447178379623 74.922 > 49 50 As 0.47988397217572 0.96650280468400 0.34552821620377 74.922 > 50 51 As 0.47988397217572 0.53349719531600 0.84552821620377 74.922 > 51 52 As 0.52011602782428 0.03349719531600 0.65447178379623 74.922 > 52 *53 As 0.74846112260976 0.21707436024604 0.82028617844178 74.922 > 53 54 As 0.25153887739024 0.71707436024604 0.67971382155822 74.922 > 54 55 As 0.25153887739024 0.78292563975396 0.17971382155822 74.922 > 55 56 As 0.74846112260976 0.28292563975396 0.32028617844178 74.922 > 56 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.111612096016076 0.000000000000000 0.000000000000000 b 0.000000000000000 13.288536420000000 0.000000000000000 c -0.026024934729879 0.000000000000000 14.307309249821435 Atomic positions (fractional): *1 Na 0.13973253979278 0.47852296101383 0.01186628897344 22.990 > 1 2 Na 0.13973253979278 0.97852296101383 0.01186628897344 22.990 > 1 3 Na 0.86026746020722 0.22852296101383 0.48813371102656 22.990 > 2 4 Na 0.86026746020722 0.72852296101383 0.48813371102656 22.990 > 2 5 Na 0.86026746020722 0.02147703898617 0.98813371102656 22.990 > 3 6 Na 0.86026746020722 0.52147703898617 0.98813371102656 22.990 > 3 7 Na 0.13973253979278 0.27147703898617 0.51186628897344 22.990 > 4 8 Na 0.13973253979278 0.77147703898617 0.51186628897344 22.990 > 4 *9 Na 0.65447335037492 0.28609368849746 0.97555125761999 22.990 > 5 10 Na 0.65447335037492 0.78609368849746 0.97555125761999 22.990 > 5 11 Na 0.34552664962508 0.03609368849746 0.52444874238001 22.990 > 6 12 Na 0.34552664962508 0.53609368849746 0.52444874238001 22.990 > 6 13 Na 0.34552664962508 0.21390631150254 0.02444874238001 22.990 > 7 14 Na 0.34552664962508 0.71390631150254 0.02444874238001 22.990 > 7 15 Na 0.65447335037492 0.46390631150254 0.47555125761999 22.990 > 8 16 Na 0.65447335037492 0.96390631150254 0.47555125761999 22.990 > 8 *17 Na 0.91714644799710 0.27231869377006 0.89030430997507 22.990 > 9 18 Na 0.91714644799710 0.77231869377006 0.89030430997507 22.990 > 9 19 Na 0.08285355200290 0.02231869377006 0.60969569002493 22.990 > 10 20 Na 0.08285355200290 0.52231869377006 0.60969569002493 22.990 > 10 21 Na 0.08285355200290 0.22768130622994 0.10969569002493 22.990 > 11 22 Na 0.08285355200290 0.72768130622994 0.10969569002493 22.990 > 11 23 Na 0.91714644799710 0.47768130622994 0.39030430997507 22.990 > 12 24 Na 0.91714644799710 0.97768130622994 0.39030430997507 22.990 > 12 *25 Na 0.43524758741483 0.45720865579830 0.09029396645439 22.990 > 13 26 Na 0.43524758741483 0.95720865579830 0.09029396645439 22.990 > 13 27 Na 0.56475241258517 0.20720865579830 0.40970603354561 22.990 > 14 28 Na 0.56475241258517 0.70720865579830 0.40970603354561 22.990 > 14 29 Na 0.56475241258517 0.04279134420170 0.90970603354561 22.990 > 15 30 Na 0.56475241258517 0.54279134420170 0.90970603354561 22.990 > 15 31 Na 0.43524758741483 0.29279134420170 0.59029396645439 22.990 > 16 32 Na 0.43524758741483 0.79279134420170 0.59029396645439 22.990 > 16 *33 Ga 0.68261140618688 0.13831992737819 0.15882634750883 69.723 > 17 34 Ga 0.68261140618688 0.63831992737819 0.15882634750883 69.723 > 17 35 Ga 0.31738859381312 0.38831992737819 0.34117365249117 69.723 > 18 36 Ga 0.31738859381312 0.88831992737819 0.34117365249117 69.723 > 18 37 Ga 0.31738859381312 0.36168007262181 0.84117365249117 69.723 > 19 38 Ga 0.31738859381312 0.86168007262181 0.84117365249117 69.723 > 19 39 Ga 0.68261140618688 0.11168007262181 0.65882634750883 69.723 > 20 40 Ga 0.68261140618688 0.61168007262181 0.65882634750883 69.723 > 20 *41 Ga 0.09068677528919 0.39033627789526 0.27187261622020 69.723 > 21 42 Ga 0.09068677528919 0.89033627789526 0.27187261622020 69.723 > 21 43 Ga 0.90931322471081 0.14033627789526 0.22812738377980 69.723 > 22 44 Ga 0.90931322471081 0.64033627789526 0.22812738377980 69.723 > 22 45 Ga 0.90931322471081 0.10966372210474 0.72812738377980 69.723 > 23 46 Ga 0.90931322471081 0.60966372210474 0.72812738377980 69.723 > 23 47 Ga 0.09068677528919 0.35966372210474 0.77187261622020 69.723 > 24 48 Ga 0.09068677528919 0.85966372210474 0.77187261622020 69.723 > 24 *49 Ga 0.81433755858642 0.37750634613695 0.16813223436843 69.723 > 25 50 Ga 0.81433755858642 0.87750634613695 0.16813223436843 69.723 > 25 51 Ga 0.18566244141358 0.12750634613695 0.33186776563157 69.723 > 26 52 Ga 0.18566244141358 0.62750634613695 0.33186776563157 69.723 > 26 53 Ga 0.18566244141358 0.12249365386305 0.83186776563157 69.723 > 27 54 Ga 0.18566244141358 0.62249365386305 0.83186776563157 69.723 > 27 55 Ga 0.81433755858642 0.37249365386305 0.66813223436843 69.723 > 28 56 Ga 0.81433755858642 0.87249365386305 0.66813223436843 69.723 > 28 *57 Ga 0.58737904120323 0.37902500676610 0.24167977606567 69.723 > 29 58 Ga 0.58737904120323 0.87902500676610 0.24167977606567 69.723 > 29 59 Ga 0.41262095879677 0.12902500676610 0.25832022393433 69.723 > 30 60 Ga 0.41262095879677 0.62902500676610 0.25832022393433 69.723 > 30 61 Ga 0.41262095879677 0.12097499323390 0.75832022393433 69.723 > 31 62 Ga 0.41262095879677 0.62097499323390 0.75832022393433 69.723 > 31 63 Ga 0.58737904120323 0.37097499323390 0.74167977606567 69.723 > 32 64 Ga 0.58737904120323 0.87097499323390 0.74167977606567 69.723 > 32 *65 As 0.97186366149864 0.47915693552688 0.16713165526892 74.922 > 33 66 As 0.97186366149864 0.97915693552688 0.16713165526892 74.922 > 33 67 As 0.02813633850136 0.22915693552688 0.33286834473108 74.922 > 34 68 As 0.02813633850136 0.72915693552688 0.33286834473108 74.922 > 34 69 As 0.02813633850136 0.02084306447312 0.83286834473108 74.922 > 35 70 As 0.02813633850136 0.52084306447312 0.83286834473108 74.922 > 35 71 As 0.97186366149864 0.27084306447312 0.66713165526892 74.922 > 36 72 As 0.97186366149864 0.77084306447312 0.66713165526892 74.922 > 36 *73 As 0.84097092498185 0.22031693877765 0.08325653395363 74.922 > 37 74 As 0.84097092498185 0.72031693877765 0.08325653395363 74.922 > 37 75 As 0.15902907501815 0.47031693877765 0.41674346604637 74.922 > 38 76 As 0.15902907501815 0.97031693877765 0.41674346604637 74.922 > 38 77 As 0.15902907501815 0.27968306122235 0.91674346604637 74.922 > 39 78 As 0.15902907501815 0.77968306122235 0.91674346604637 74.922 > 39 79 As 0.84097092498185 0.02968306122235 0.58325653395363 74.922 > 40 80 As 0.84097092498185 0.52968306122235 0.58325653395363 74.922 > 40 *81 As 0.66031539437971 0.46759130714536 0.10103142140137 74.922 > 41 82 As 0.66031539437971 0.96759130714536 0.10103142140137 74.922 > 41 83 As 0.33968460562029 0.21759130714536 0.39896857859863 74.922 > 42 84 As 0.33968460562029 0.71759130714536 0.39896857859863 74.922 > 42 85 As 0.33968460562029 0.03240869285464 0.89896857859863 74.922 > 43 86 As 0.33968460562029 0.53240869285464 0.89896857859863 74.922 > 43 87 As 0.66031539437971 0.28240869285464 0.60103142140137 74.922 > 44 88 As 0.66031539437971 0.78240869285464 0.60103142140137 74.922 > 44 *89 As 0.74935456699913 0.42136094453325 0.82663059221978 74.922 > 45 90 As 0.74935456699913 0.92136094453325 0.82663059221978 74.922 > 45 91 As 0.25064543300087 0.17136094453325 0.67336940778022 74.922 > 46 92 As 0.25064543300087 0.67136094453325 0.67336940778022 74.922 > 46 93 As 0.25064543300087 0.07863905546675 0.17336940778022 74.922 > 47 94 As 0.25064543300087 0.57863905546675 0.17336940778022 74.922 > 47 95 As 0.74935456699913 0.32863905546675 0.32663059221978 74.922 > 48 96 As 0.74935456699913 0.82863905546675 0.32663059221978 74.922 > 48 *97 As 0.52011602782428 0.23325140234200 0.15447178379623 74.922 > 49 98 As 0.52011602782428 0.73325140234200 0.15447178379623 74.922 > 49 99 As 0.47988397217572 0.48325140234200 0.34552821620377 74.922 > 50 100 As 0.47988397217572 0.98325140234200 0.34552821620377 74.922 > 50 101 As 0.47988397217572 0.26674859765800 0.84552821620377 74.922 > 51 102 As 0.47988397217572 0.76674859765800 0.84552821620377 74.922 > 51 103 As 0.52011602782428 0.01674859765800 0.65447178379623 74.922 > 52 104 As 0.52011602782428 0.51674859765800 0.65447178379623 74.922 > 52 *105 As 0.74846112260976 0.10853718012302 0.82028617844178 74.922 > 53 106 As 0.74846112260976 0.60853718012302 0.82028617844178 74.922 > 53 107 As 0.25153887739024 0.35853718012302 0.67971382155822 74.922 > 54 108 As 0.25153887739024 0.85853718012302 0.67971382155822 74.922 > 54 109 As 0.25153887739024 0.39146281987698 0.17971382155822 74.922 > 55 110 As 0.25153887739024 0.89146281987698 0.17971382155822 74.922 > 55 111 As 0.74846112260976 0.14146281987698 0.32028617844178 74.922 > 56 112 As 0.74846112260976 0.64146281987698 0.32028617844178 74.922 > 56 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 13.5768786 0.0000000 -0.2147950 0.0000000 14.1141010 0.0000000 -0.2185317 0.0000000 10.0146163 -------------------------- Born effective charges -------------------------- 1 Na 0.9924340 -0.0067257 -0.0349553 0.0711013 0.9563808 0.0320539 -0.0791325 0.1199573 2.0132288 2 Na 0.9924340 0.0067257 -0.0349553 -0.0711013 0.9563808 -0.0320539 -0.0791325 -0.1199573 2.0132288 3 Na 0.9924340 -0.0067257 -0.0349553 0.0711013 0.9563808 0.0320539 -0.0791325 0.1199573 2.0132288 4 Na 0.9924340 0.0067257 -0.0349553 -0.0711013 0.9563808 -0.0320539 -0.0791325 -0.1199573 2.0132288 5 Na 0.9442295 0.0180857 0.1114354 0.0057015 1.0614326 -0.0160799 0.1266865 0.0551323 2.0383013 6 Na 0.9442295 -0.0180857 0.1114354 -0.0057015 1.0614326 0.0160799 0.1266865 -0.0551323 2.0383013 7 Na 0.9442295 0.0180857 0.1114354 0.0057015 1.0614326 -0.0160799 0.1266865 0.0551323 2.0383013 8 Na 0.9442295 -0.0180857 0.1114354 -0.0057015 1.0614326 0.0160799 0.1266865 -0.0551323 2.0383013 9 Na 1.3219748 0.0405287 -0.0670953 0.0773810 1.3069713 -0.0164918 -0.1371206 -0.0932337 1.4159376 10 Na 1.3219748 -0.0405287 -0.0670953 -0.0773810 1.3069713 0.0164918 -0.1371206 0.0932337 1.4159376 11 Na 1.3219748 0.0405287 -0.0670953 0.0773810 1.3069713 -0.0164918 -0.1371206 -0.0932337 1.4159376 12 Na 1.3219748 -0.0405287 -0.0670953 -0.0773810 1.3069713 0.0164918 -0.1371206 0.0932337 1.4159376 13 Na 1.2230425 -0.1379939 0.0994571 -0.2583173 1.1323209 -0.0606259 0.1146214 -0.0381555 1.5305649 14 Na 1.2230425 0.1379939 0.0994571 0.2583173 1.1323209 0.0606259 0.1146214 0.0381555 1.5305649 15 Na 1.2230425 -0.1379939 0.0994571 -0.2583173 1.1323209 -0.0606259 0.1146214 -0.0381555 1.5305649 16 Na 1.2230425 0.1379939 0.0994571 0.2583173 1.1323209 0.0606259 0.1146214 0.0381555 1.5305649 17 Ga 2.4612612 -0.0120112 0.1354474 0.4701387 2.3026405 0.6523853 -0.2585287 0.1413094 0.8220733 18 Ga 2.4612612 0.0120112 0.1354474 -0.4701387 2.3026405 -0.6523853 -0.2585287 -0.1413094 0.8220733 19 Ga 2.4612612 -0.0120112 0.1354474 0.4701387 2.3026405 0.6523853 -0.2585287 0.1413094 0.8220733 20 Ga 2.4612612 0.0120112 0.1354474 -0.4701387 2.3026405 -0.6523853 -0.2585287 -0.1413094 0.8220733 21 Ga 2.3407245 0.0835956 0.8118677 0.6034307 1.9996232 -0.8621046 0.3491683 -0.0768404 0.8353685 22 Ga 2.3407245 -0.0835956 0.8118677 -0.6034307 1.9996232 0.8621046 0.3491683 0.0768404 0.8353685 23 Ga 2.3407245 0.0835956 0.8118677 0.6034307 1.9996232 -0.8621046 0.3491683 -0.0768404 0.8353685 24 Ga 2.3407245 -0.0835956 0.8118677 -0.6034307 1.9996232 0.8621046 0.3491683 0.0768404 0.8353685 25 Ga 2.5134803 0.2693439 -0.0530830 -0.0107449 2.3798624 -0.1610301 0.1877272 -0.0677465 0.7151054 26 Ga 2.5134803 -0.2693439 -0.0530830 0.0107449 2.3798624 0.1610301 0.1877272 0.0677465 0.7151054 27 Ga 2.5134803 0.2693439 -0.0530830 -0.0107449 2.3798624 -0.1610301 0.1877272 -0.0677465 0.7151054 28 Ga 2.5134803 -0.2693439 -0.0530830 0.0107449 2.3798624 0.1610301 0.1877272 0.0677465 0.7151054 29 Ga 2.3010561 -0.3293113 -0.6322987 -0.1783174 2.1242434 0.2776471 -0.4125403 -0.0275302 0.7413448 30 Ga 2.3010561 0.3293113 -0.6322987 0.1783174 2.1242434 -0.2776471 -0.4125403 0.0275302 0.7413448 31 Ga 2.3010561 -0.3293113 -0.6322987 -0.1783174 2.1242434 0.2776471 -0.4125403 -0.0275302 0.7413448 32 Ga 2.3010561 0.3293113 -0.6322987 0.1783174 2.1242434 -0.2776471 -0.4125403 0.0275302 0.7413448 33 As -2.5032431 0.0815003 -0.3987484 0.1997264 -2.7308899 -0.0365900 -0.1708138 -0.0153325 -1.2700284 34 As -2.5032431 -0.0815003 -0.3987484 -0.1997264 -2.7308899 0.0365900 -0.1708138 0.0153325 -1.2700284 35 As -2.5032431 0.0815003 -0.3987484 0.1997264 -2.7308899 -0.0365900 -0.1708138 -0.0153325 -1.2700284 36 As -2.5032431 -0.0815003 -0.3987484 -0.1997264 -2.7308899 0.0365900 -0.1708138 0.0153325 -1.2700284 37 As -2.7908435 0.0967022 0.0426803 -0.2282298 -2.6665841 -0.0157398 0.4419799 0.1092876 -2.1061315 38 As -2.7908435 -0.0967022 0.0426803 0.2282298 -2.6665841 0.0157398 0.4419799 -0.1092876 -2.1061315 39 As -2.7908435 0.0967022 0.0426803 -0.2282298 -2.6665841 -0.0157398 0.4419799 0.1092876 -2.1061315 40 As -2.7908435 -0.0967022 0.0426803 0.2282298 -2.6665841 0.0157398 0.4419799 -0.1092876 -2.1061315 41 As -2.5801142 -0.1428228 -0.0885689 0.3412635 -2.9989264 0.4258642 -0.2036595 0.1868029 -1.8784406 42 As -2.5801142 0.1428228 -0.0885689 -0.3412635 -2.9989264 -0.4258642 -0.2036595 -0.1868029 -1.8784406 43 As -2.5801142 -0.1428228 -0.0885689 0.3412635 -2.9989264 0.4258642 -0.2036595 0.1868029 -1.8784406 44 As -2.5801142 0.1428228 -0.0885689 -0.3412635 -2.9989264 -0.4258642 -0.2036595 -0.1868029 -1.8784406 45 As -1.6127939 0.1198325 -0.2446567 -0.1998271 -1.3446293 -0.1858219 -0.0669310 0.1834818 -1.6014389 46 As -1.6127939 -0.1198325 -0.2446567 0.1998271 -1.3446293 0.1858219 -0.0669310 -0.1834818 -1.6014389 47 As -1.6127939 0.1198325 -0.2446567 -0.1998271 -1.3446293 -0.1858219 -0.0669310 0.1834818 -1.6014389 48 As -1.6127939 -0.1198325 -0.2446567 0.1998271 -1.3446293 0.1858219 -0.0669310 -0.1834818 -1.6014389 49 As -2.6348628 -0.1264535 0.2805230 -0.3508746 -2.3712426 -0.1267390 0.1724436 -0.0467666 -1.4488500 50 As -2.6348628 0.1264535 0.2805230 0.3508746 -2.3712426 0.1267390 0.1724436 0.0467666 -1.4488500 51 As -2.6348628 -0.1264535 0.2805230 -0.3508746 -2.3712426 -0.1267390 0.1724436 -0.0467666 -1.4488500 52 As -2.6348628 0.1264535 0.2805230 0.3508746 -2.3712426 0.1267390 0.1724436 0.0467666 -1.4488500 53 As -1.9763453 -0.0214943 0.0379955 -0.0263827 -1.1512030 0.2646345 -0.0639004 -0.2232996 -1.8070351 54 As -1.9763453 0.0214943 0.0379955 0.0263827 -1.1512030 -0.2646345 -0.0639004 0.2232996 -1.8070351 55 As -1.9763453 -0.0214943 0.0379955 -0.0263827 -1.1512030 0.2646345 -0.0639004 -0.2232996 -1.8070351 56 As -1.9763453 0.0214943 0.0379955 0.0263827 -1.1512030 -0.2646345 -0.0639004 0.2232996 -1.8070351 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 336/336 Permutation basis: 28392/28392 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 7182 Number of blocks in projector: 7182 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 232 eigenvectors found. (2) Block: 500 / 568 (2) 238 eigenvectors found. (2) Block: 568 / 568 (2) 40 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 540 eigenvectors found. (1) Complementary block size: 80 (1) Compute compressed projector. (1) Use standard solver. (1) 52 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 232 eigenvectors found. (2) Block: 500 / 568 (2) 238 eigenvectors found. (2) Block: 568 / 568 (2) 40 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 540 eigenvectors found. (1) Complementary block size: 80 (1) Compute compressed projector. (1) Use standard solver. (1) 52 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 233 eigenvectors found. (2) Block: 500 / 568 (2) 237 eigenvectors found. (2) Block: 568 / 568 (2) 63 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 551 eigenvectors found. (1) Complementary block size: 67 (1) Compute compressed projector. (1) Use standard solver. (1) 40 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 826 Use submatrix version of eigh solver. (1) Block: 500 / 826 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 826 / 826 (1) 312 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 826 Use submatrix version of eigh solver. (1) Block: 500 / 826 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 826 / 826 (1) 312 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 826 Use submatrix version of eigh solver. (1) Block: 500 / 826 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 826 / 826 (1) 312 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. Tree of FC basis block matrices: - (7182, 7057), data: False |-- (826, 812), data: False |-- (826, 14), data: (826, 28) @ (28, 14) |-- (326, 312), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (826, 812), data: False |-- (826, 14), data: (826, 28) @ (28, 14) |-- (326, 312), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (826, 812), data: False |-- (826, 14), data: (826, 28) @ (28, 14) |-- (326, 312), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (1568, 1541), data: False |-- (1568, 40), data: (1568, 67) @ (67, 40) |-- (568, 551), data: False |-- (568, 18), data: (568, 35) @ (35, 18) |-- (68, 63), data: True |-- (250, 237), data: True |-- (250, 233), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (500, 473), data: False |-- (500, 25), data: (500, 52) @ (52, 25) |-- (250, 225), data: True |-- (250, 223), data: True |-- (1568, 1540), data: False |-- (1568, 52), data: (1568, 80) @ (80, 52) |-- (568, 540), data: False |-- (568, 30), data: (568, 58) @ (58, 30) |-- (68, 40), data: True |-- (250, 238), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True |-- (1568, 1540), data: False |-- (1568, 52), data: (1568, 80) @ (80, 52) |-- (568, 540), data: False |-- (568, 30), data: (568, 58) @ (58, 30) |-- (68, 40), data: True |-- (250, 238), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 1680 - Time: 1.874 Solver_block: 200 / 1680 - Time: 1.611 Solver_block: 300 / 1680 - Time: 1.619 Solver_block: 400 / 1680 - Time: 1.625 Solver_block: 500 / 1680 - Time: 1.621 Solver_block: 600 / 1680 - Time: 1.623 Solver_block: 700 / 1680 - Time: 1.612 Solver_block: 800 / 1680 - Time: 1.616 Solver_block: 900 / 1680 - Time: 1.619 Solver_block: 1000 / 1680 - Time: 1.612 Solver_block: 1100 / 1680 - Time: 1.608 Solver_block: 1200 / 1680 - Time: 1.616 Solver_block: 1300 / 1680 - Time: 1.623 Solver_block: 1400 / 1680 - Time: 1.615 Solver_block: 1500 / 1680 - Time: 1.621 Solver_block: 1600 / 1680 - Time: 1.622 Solver_block: 1680 / 1680 - Time: 1.334 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 28.302 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 336/336 Permutation basis: 28392/28392 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 7182 Number of blocks in projector: 7182 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 232 eigenvectors found. (2) Block: 500 / 568 (2) 238 eigenvectors found. (2) Block: 568 / 568 (2) 40 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 540 eigenvectors found. (1) Complementary block size: 80 (1) Compute compressed projector. (1) Use standard solver. (1) 52 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 232 eigenvectors found. (2) Block: 500 / 568 (2) 238 eigenvectors found. (2) Block: 568 / 568 (2) 40 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 540 eigenvectors found. (1) Complementary block size: 80 (1) Compute compressed projector. (1) Use standard solver. (1) 52 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 233 eigenvectors found. (2) Block: 500 / 568 (2) 237 eigenvectors found. (2) Block: 568 / 568 (2) 63 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 551 eigenvectors found. (1) Complementary block size: 67 (1) Compute compressed projector. (1) Use standard solver. (1) 40 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 826 Use submatrix version of eigh solver. (1) Block: 500 / 826 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 826 / 826 (1) 312 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 826 Use submatrix version of eigh solver. (1) Block: 500 / 826 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 826 / 826 (1) 312 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 826 Use submatrix version of eigh solver. (1) Block: 500 / 826 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 826 / 826 (1) 312 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. Tree of FC basis block matrices: - (7182, 7057), data: False |-- (826, 812), data: False |-- (826, 14), data: (826, 28) @ (28, 14) |-- (326, 312), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (826, 812), data: False |-- (826, 14), data: (826, 28) @ (28, 14) |-- (326, 312), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (826, 812), data: False |-- (826, 14), data: (826, 28) @ (28, 14) |-- (326, 312), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (1568, 1541), data: False |-- (1568, 40), data: (1568, 67) @ (67, 40) |-- (568, 551), data: False |-- (568, 18), data: (568, 35) @ (35, 18) |-- (68, 63), data: True |-- (250, 237), data: True |-- (250, 233), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (500, 473), data: False |-- (500, 25), data: (500, 52) @ (52, 25) |-- (250, 225), data: True |-- (250, 223), data: True |-- (1568, 1540), data: False |-- (1568, 52), data: (1568, 80) @ (80, 52) |-- (568, 540), data: False |-- (568, 30), data: (568, 58) @ (58, 30) |-- (68, 40), data: True |-- (250, 238), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True |-- (1568, 1540), data: False |-- (1568, 52), data: (1568, 80) @ (80, 52) |-- (568, 540), data: False |-- (568, 30), data: (568, 58) @ (58, 30) |-- (68, 40), data: True |-- (250, 238), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 01:23:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 01:23:15]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 13.111612096016076 0.000000000000000 0.000000000000000 b 0.000000000000000 6.644268210000000 0.000000000000000 c -0.026024934729879 0.000000000000000 14.307309249821435 Atomic positions (fractional): 1 Na 0.13973253979278 0.95704592202767 0.01186628897344 22.990 2 Na 0.86026746020722 0.45704592202766 0.48813371102656 22.990 3 Na 0.86026746020722 0.04295407797233 0.98813371102656 22.990 4 Na 0.13973253979278 0.54295407797233 0.51186628897344 22.990 5 Na 0.65447335037492 0.57218737699492 0.97555125761999 22.990 6 Na 0.34552664962508 0.07218737699492 0.52444874238001 22.990 7 Na 0.34552664962508 0.42781262300508 0.02444874238001 22.990 8 Na 0.65447335037492 0.92781262300508 0.47555125761999 22.990 9 Na 0.91714644799710 0.54463738754012 0.89030430997507 22.990 10 Na 0.08285355200290 0.04463738754012 0.60969569002493 22.990 11 Na 0.08285355200290 0.45536261245988 0.10969569002493 22.990 12 Na 0.91714644799710 0.95536261245988 0.39030430997507 22.990 13 Na 0.43524758741483 0.91441731159659 0.09029396645439 22.990 14 Na 0.56475241258517 0.41441731159659 0.40970603354561 22.990 15 Na 0.56475241258517 0.08558268840341 0.90970603354561 22.990 16 Na 0.43524758741483 0.58558268840341 0.59029396645439 22.990 17 Ga 0.68261140618688 0.27663985475637 0.15882634750883 69.723 18 Ga 0.31738859381312 0.77663985475637 0.34117365249117 69.723 19 Ga 0.31738859381312 0.72336014524363 0.84117365249117 69.723 20 Ga 0.68261140618688 0.22336014524363 0.65882634750883 69.723 21 Ga 0.09068677528919 0.78067255579051 0.27187261622020 69.723 22 Ga 0.90931322471081 0.28067255579051 0.22812738377980 69.723 23 Ga 0.90931322471081 0.21932744420949 0.72812738377980 69.723 24 Ga 0.09068677528919 0.71932744420949 0.77187261622020 69.723 25 Ga 0.81433755858642 0.75501269227391 0.16813223436843 69.723 26 Ga 0.18566244141358 0.25501269227391 0.33186776563157 69.723 27 Ga 0.18566244141358 0.24498730772609 0.83186776563157 69.723 28 Ga 0.81433755858642 0.74498730772609 0.66813223436843 69.723 29 Ga 0.58737904120323 0.75805001353221 0.24167977606567 69.723 30 Ga 0.41262095879677 0.25805001353221 0.25832022393433 69.723 31 Ga 0.41262095879677 0.24194998646779 0.75832022393433 69.723 32 Ga 0.58737904120323 0.74194998646779 0.74167977606567 69.723 33 As 0.97186366149864 0.95831387105375 0.16713165526892 74.922 34 As 0.02813633850136 0.45831387105375 0.33286834473108 74.922 35 As 0.02813633850136 0.04168612894625 0.83286834473108 74.922 36 As 0.97186366149864 0.54168612894625 0.66713165526892 74.922 37 As 0.84097092498185 0.44063387755531 0.08325653395363 74.922 38 As 0.15902907501815 0.94063387755531 0.41674346604637 74.922 39 As 0.15902907501815 0.55936612244469 0.91674346604637 74.922 40 As 0.84097092498185 0.05936612244469 0.58325653395363 74.922 41 As 0.66031539437971 0.93518261429073 0.10103142140137 74.922 42 As 0.33968460562029 0.43518261429073 0.39896857859863 74.922 43 As 0.33968460562029 0.06481738570927 0.89896857859863 74.922 44 As 0.66031539437971 0.56481738570927 0.60103142140137 74.922 45 As 0.74935456699913 0.84272188906650 0.82663059221978 74.922 46 As 0.25064543300087 0.34272188906649 0.67336940778022 74.922 47 As 0.25064543300087 0.15727811093350 0.17336940778022 74.922 48 As 0.74935456699913 0.65727811093350 0.32663059221978 74.922 49 As 0.52011602782428 0.46650280468400 0.15447178379623 74.922 50 As 0.47988397217572 0.96650280468400 0.34552821620377 74.922 51 As 0.47988397217572 0.53349719531600 0.84552821620377 74.922 52 As 0.52011602782428 0.03349719531600 0.65447178379623 74.922 53 As 0.74846112260976 0.21707436024604 0.82028617844178 74.922 54 As 0.25153887739024 0.71707436024604 0.67971382155822 74.922 55 As 0.25153887739024 0.78292563975396 0.17971382155822 74.922 56 As 0.74846112260976 0.28292563975396 0.32028617844178 74.922 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.111612096016076 0.000000000000000 0.000000000000000 b 0.000000000000000 13.288536420000000 0.000000000000000 c -0.026024934729879 0.000000000000000 14.307309249821435 Atomic positions (fractional): 1 Na 0.13973253979278 0.47852296101383 0.01186628897344 22.990 > 1 2 Na 0.13973253979278 0.97852296101383 0.01186628897344 22.990 > 1 3 Na 0.86026746020722 0.22852296101383 0.48813371102656 22.990 > 3 4 Na 0.86026746020722 0.72852296101383 0.48813371102656 22.990 > 3 5 Na 0.86026746020722 0.02147703898617 0.98813371102656 22.990 > 5 6 Na 0.86026746020722 0.52147703898617 0.98813371102656 22.990 > 5 7 Na 0.13973253979278 0.27147703898617 0.51186628897344 22.990 > 7 8 Na 0.13973253979278 0.77147703898617 0.51186628897344 22.990 > 7 9 Na 0.65447335037492 0.28609368849746 0.97555125761999 22.990 > 9 10 Na 0.65447335037492 0.78609368849746 0.97555125761999 22.990 > 9 11 Na 0.34552664962508 0.03609368849746 0.52444874238001 22.990 > 11 12 Na 0.34552664962508 0.53609368849746 0.52444874238001 22.990 > 11 13 Na 0.34552664962508 0.21390631150254 0.02444874238001 22.990 > 13 14 Na 0.34552664962508 0.71390631150254 0.02444874238001 22.990 > 13 15 Na 0.65447335037492 0.46390631150254 0.47555125761999 22.990 > 15 16 Na 0.65447335037492 0.96390631150254 0.47555125761999 22.990 > 15 17 Na 0.91714644799710 0.27231869377006 0.89030430997507 22.990 > 17 18 Na 0.91714644799710 0.77231869377006 0.89030430997507 22.990 > 17 19 Na 0.08285355200290 0.02231869377006 0.60969569002493 22.990 > 19 20 Na 0.08285355200290 0.52231869377006 0.60969569002493 22.990 > 19 21 Na 0.08285355200290 0.22768130622994 0.10969569002493 22.990 > 21 22 Na 0.08285355200290 0.72768130622994 0.10969569002493 22.990 > 21 23 Na 0.91714644799710 0.47768130622994 0.39030430997507 22.990 > 23 24 Na 0.91714644799710 0.97768130622994 0.39030430997507 22.990 > 23 25 Na 0.43524758741483 0.45720865579830 0.09029396645439 22.990 > 25 26 Na 0.43524758741483 0.95720865579830 0.09029396645439 22.990 > 25 27 Na 0.56475241258517 0.20720865579830 0.40970603354561 22.990 > 27 28 Na 0.56475241258517 0.70720865579830 0.40970603354561 22.990 > 27 29 Na 0.56475241258517 0.04279134420170 0.90970603354561 22.990 > 29 30 Na 0.56475241258517 0.54279134420170 0.90970603354561 22.990 > 29 31 Na 0.43524758741483 0.29279134420170 0.59029396645439 22.990 > 31 32 Na 0.43524758741483 0.79279134420170 0.59029396645439 22.990 > 31 33 Ga 0.68261140618688 0.13831992737819 0.15882634750883 69.723 > 33 34 Ga 0.68261140618688 0.63831992737819 0.15882634750883 69.723 > 33 35 Ga 0.31738859381312 0.38831992737819 0.34117365249117 69.723 > 35 36 Ga 0.31738859381312 0.88831992737819 0.34117365249117 69.723 > 35 37 Ga 0.31738859381312 0.36168007262181 0.84117365249117 69.723 > 37 38 Ga 0.31738859381312 0.86168007262181 0.84117365249117 69.723 > 37 39 Ga 0.68261140618688 0.11168007262181 0.65882634750883 69.723 > 39 40 Ga 0.68261140618688 0.61168007262181 0.65882634750883 69.723 > 39 41 Ga 0.09068677528919 0.39033627789526 0.27187261622020 69.723 > 41 42 Ga 0.09068677528919 0.89033627789526 0.27187261622020 69.723 > 41 43 Ga 0.90931322471081 0.14033627789526 0.22812738377980 69.723 > 43 44 Ga 0.90931322471081 0.64033627789526 0.22812738377980 69.723 > 43 45 Ga 0.90931322471081 0.10966372210474 0.72812738377980 69.723 > 45 46 Ga 0.90931322471081 0.60966372210474 0.72812738377980 69.723 > 45 47 Ga 0.09068677528919 0.35966372210474 0.77187261622020 69.723 > 47 48 Ga 0.09068677528919 0.85966372210474 0.77187261622020 69.723 > 47 49 Ga 0.81433755858642 0.37750634613695 0.16813223436843 69.723 > 49 50 Ga 0.81433755858642 0.87750634613695 0.16813223436843 69.723 > 49 51 Ga 0.18566244141358 0.12750634613695 0.33186776563157 69.723 > 51 52 Ga 0.18566244141358 0.62750634613695 0.33186776563157 69.723 > 51 53 Ga 0.18566244141358 0.12249365386305 0.83186776563157 69.723 > 53 54 Ga 0.18566244141358 0.62249365386305 0.83186776563157 69.723 > 53 55 Ga 0.81433755858642 0.37249365386305 0.66813223436843 69.723 > 55 56 Ga 0.81433755858642 0.87249365386305 0.66813223436843 69.723 > 55 57 Ga 0.58737904120323 0.37902500676610 0.24167977606567 69.723 > 57 58 Ga 0.58737904120323 0.87902500676610 0.24167977606567 69.723 > 57 59 Ga 0.41262095879677 0.12902500676610 0.25832022393433 69.723 > 59 60 Ga 0.41262095879677 0.62902500676610 0.25832022393433 69.723 > 59 61 Ga 0.41262095879677 0.12097499323390 0.75832022393433 69.723 > 61 62 Ga 0.41262095879677 0.62097499323390 0.75832022393433 69.723 > 61 63 Ga 0.58737904120323 0.37097499323390 0.74167977606567 69.723 > 63 64 Ga 0.58737904120323 0.87097499323390 0.74167977606567 69.723 > 63 65 As 0.97186366149864 0.47915693552688 0.16713165526892 74.922 > 65 66 As 0.97186366149864 0.97915693552688 0.16713165526892 74.922 > 65 67 As 0.02813633850136 0.22915693552688 0.33286834473108 74.922 > 67 68 As 0.02813633850136 0.72915693552688 0.33286834473108 74.922 > 67 69 As 0.02813633850136 0.02084306447312 0.83286834473108 74.922 > 69 70 As 0.02813633850136 0.52084306447312 0.83286834473108 74.922 > 69 71 As 0.97186366149864 0.27084306447312 0.66713165526892 74.922 > 71 72 As 0.97186366149864 0.77084306447312 0.66713165526892 74.922 > 71 73 As 0.84097092498185 0.22031693877765 0.08325653395363 74.922 > 73 74 As 0.84097092498185 0.72031693877765 0.08325653395363 74.922 > 73 75 As 0.15902907501815 0.47031693877765 0.41674346604637 74.922 > 75 76 As 0.15902907501815 0.97031693877765 0.41674346604637 74.922 > 75 77 As 0.15902907501815 0.27968306122235 0.91674346604637 74.922 > 77 78 As 0.15902907501815 0.77968306122235 0.91674346604637 74.922 > 77 79 As 0.84097092498185 0.02968306122235 0.58325653395363 74.922 > 79 80 As 0.84097092498185 0.52968306122235 0.58325653395363 74.922 > 79 81 As 0.66031539437971 0.46759130714536 0.10103142140137 74.922 > 81 82 As 0.66031539437971 0.96759130714536 0.10103142140137 74.922 > 81 83 As 0.33968460562029 0.21759130714536 0.39896857859863 74.922 > 83 84 As 0.33968460562029 0.71759130714536 0.39896857859863 74.922 > 83 85 As 0.33968460562029 0.03240869285464 0.89896857859863 74.922 > 85 86 As 0.33968460562029 0.53240869285464 0.89896857859863 74.922 > 85 87 As 0.66031539437971 0.28240869285464 0.60103142140137 74.922 > 87 88 As 0.66031539437971 0.78240869285464 0.60103142140137 74.922 > 87 89 As 0.74935456699913 0.42136094453325 0.82663059221978 74.922 > 89 90 As 0.74935456699913 0.92136094453325 0.82663059221978 74.922 > 89 91 As 0.25064543300087 0.17136094453325 0.67336940778022 74.922 > 91 92 As 0.25064543300087 0.67136094453325 0.67336940778022 74.922 > 91 93 As 0.25064543300087 0.07863905546675 0.17336940778022 74.922 > 93 94 As 0.25064543300087 0.57863905546675 0.17336940778022 74.922 > 93 95 As 0.74935456699913 0.32863905546675 0.32663059221978 74.922 > 95 96 As 0.74935456699913 0.82863905546675 0.32663059221978 74.922 > 95 97 As 0.52011602782428 0.23325140234200 0.15447178379623 74.922 > 97 98 As 0.52011602782428 0.73325140234200 0.15447178379623 74.922 > 97 99 As 0.47988397217572 0.48325140234200 0.34552821620377 74.922 > 99 100 As 0.47988397217572 0.98325140234200 0.34552821620377 74.922 > 99 101 As 0.47988397217572 0.26674859765800 0.84552821620377 74.922 > 101 102 As 0.47988397217572 0.76674859765800 0.84552821620377 74.922 > 101 103 As 0.52011602782428 0.01674859765800 0.65447178379623 74.922 > 103 104 As 0.52011602782428 0.51674859765800 0.65447178379623 74.922 > 103 105 As 0.74846112260976 0.10853718012302 0.82028617844178 74.922 > 105 106 As 0.74846112260976 0.60853718012302 0.82028617844178 74.922 > 105 107 As 0.25153887739024 0.35853718012302 0.67971382155822 74.922 > 107 108 As 0.25153887739024 0.85853718012302 0.67971382155822 74.922 > 107 109 As 0.25153887739024 0.39146281987698 0.17971382155822 74.922 > 109 110 As 0.25153887739024 0.89146281987698 0.17971382155822 74.922 > 109 111 As 0.74846112260976 0.14146281987698 0.32028617844178 74.922 > 111 112 As 0.74846112260976 0.64146281987698 0.32028617844178 74.922 > 111 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 13.5768786 0.0000000 -0.2147950 0.0000000 14.1141010 0.0000000 -0.2185317 0.0000000 10.0146163 -------------------------- Born effective charges -------------------------- 1 Na 0.9924340 -0.0067257 -0.0349553 0.0711013 0.9563808 0.0320539 -0.0791325 0.1199573 2.0132288 2 Na 0.9924340 0.0067257 -0.0349553 -0.0711013 0.9563808 -0.0320539 -0.0791325 -0.1199573 2.0132288 3 Na 0.9924340 -0.0067257 -0.0349553 0.0711013 0.9563808 0.0320539 -0.0791325 0.1199573 2.0132288 4 Na 0.9924340 0.0067257 -0.0349553 -0.0711013 0.9563808 -0.0320539 -0.0791325 -0.1199573 2.0132288 5 Na 0.9442295 0.0180857 0.1114354 0.0057015 1.0614326 -0.0160799 0.1266865 0.0551323 2.0383013 6 Na 0.9442295 -0.0180857 0.1114354 -0.0057015 1.0614326 0.0160799 0.1266865 -0.0551323 2.0383013 7 Na 0.9442295 0.0180857 0.1114354 0.0057015 1.0614326 -0.0160799 0.1266865 0.0551323 2.0383013 8 Na 0.9442295 -0.0180857 0.1114354 -0.0057015 1.0614326 0.0160799 0.1266865 -0.0551323 2.0383013 9 Na 1.3219748 0.0405287 -0.0670953 0.0773810 1.3069713 -0.0164918 -0.1371206 -0.0932337 1.4159376 10 Na 1.3219748 -0.0405287 -0.0670953 -0.0773810 1.3069713 0.0164918 -0.1371206 0.0932337 1.4159376 11 Na 1.3219748 0.0405287 -0.0670953 0.0773810 1.3069713 -0.0164918 -0.1371206 -0.0932337 1.4159376 12 Na 1.3219748 -0.0405287 -0.0670953 -0.0773810 1.3069713 0.0164918 -0.1371206 0.0932337 1.4159376 13 Na 1.2230425 -0.1379939 0.0994571 -0.2583173 1.1323209 -0.0606259 0.1146214 -0.0381555 1.5305649 14 Na 1.2230425 0.1379939 0.0994571 0.2583173 1.1323209 0.0606259 0.1146214 0.0381555 1.5305649 15 Na 1.2230425 -0.1379939 0.0994571 -0.2583173 1.1323209 -0.0606259 0.1146214 -0.0381555 1.5305649 16 Na 1.2230425 0.1379939 0.0994571 0.2583173 1.1323209 0.0606259 0.1146214 0.0381555 1.5305649 17 Ga 2.4612612 -0.0120112 0.1354474 0.4701387 2.3026405 0.6523853 -0.2585287 0.1413094 0.8220733 18 Ga 2.4612612 0.0120112 0.1354474 -0.4701387 2.3026405 -0.6523853 -0.2585287 -0.1413094 0.8220733 19 Ga 2.4612612 -0.0120112 0.1354474 0.4701387 2.3026405 0.6523853 -0.2585287 0.1413094 0.8220733 20 Ga 2.4612612 0.0120112 0.1354474 -0.4701387 2.3026405 -0.6523853 -0.2585287 -0.1413094 0.8220733 21 Ga 2.3407245 0.0835956 0.8118677 0.6034307 1.9996232 -0.8621046 0.3491683 -0.0768404 0.8353685 22 Ga 2.3407245 -0.0835956 0.8118677 -0.6034307 1.9996232 0.8621046 0.3491683 0.0768404 0.8353685 23 Ga 2.3407245 0.0835956 0.8118677 0.6034307 1.9996232 -0.8621046 0.3491683 -0.0768404 0.8353685 24 Ga 2.3407245 -0.0835956 0.8118677 -0.6034307 1.9996232 0.8621046 0.3491683 0.0768404 0.8353685 25 Ga 2.5134803 0.2693439 -0.0530830 -0.0107449 2.3798624 -0.1610301 0.1877272 -0.0677465 0.7151054 26 Ga 2.5134803 -0.2693439 -0.0530830 0.0107449 2.3798624 0.1610301 0.1877272 0.0677465 0.7151054 27 Ga 2.5134803 0.2693439 -0.0530830 -0.0107449 2.3798624 -0.1610301 0.1877272 -0.0677465 0.7151054 28 Ga 2.5134803 -0.2693439 -0.0530830 0.0107449 2.3798624 0.1610301 0.1877272 0.0677465 0.7151054 29 Ga 2.3010561 -0.3293113 -0.6322987 -0.1783174 2.1242434 0.2776471 -0.4125403 -0.0275302 0.7413448 30 Ga 2.3010561 0.3293113 -0.6322987 0.1783174 2.1242434 -0.2776471 -0.4125403 0.0275302 0.7413448 31 Ga 2.3010561 -0.3293113 -0.6322987 -0.1783174 2.1242434 0.2776471 -0.4125403 -0.0275302 0.7413448 32 Ga 2.3010561 0.3293113 -0.6322987 0.1783174 2.1242434 -0.2776471 -0.4125403 0.0275302 0.7413448 33 As -2.5032431 0.0815003 -0.3987484 0.1997264 -2.7308899 -0.0365900 -0.1708138 -0.0153325 -1.2700284 34 As -2.5032431 -0.0815003 -0.3987484 -0.1997264 -2.7308899 0.0365900 -0.1708138 0.0153325 -1.2700284 35 As -2.5032431 0.0815003 -0.3987484 0.1997264 -2.7308899 -0.0365900 -0.1708138 -0.0153325 -1.2700284 36 As -2.5032431 -0.0815003 -0.3987484 -0.1997264 -2.7308899 0.0365900 -0.1708138 0.0153325 -1.2700284 37 As -2.7908435 0.0967022 0.0426803 -0.2282298 -2.6665841 -0.0157398 0.4419799 0.1092876 -2.1061315 38 As -2.7908435 -0.0967022 0.0426803 0.2282298 -2.6665841 0.0157398 0.4419799 -0.1092876 -2.1061315 39 As -2.7908435 0.0967022 0.0426803 -0.2282298 -2.6665841 -0.0157398 0.4419799 0.1092876 -2.1061315 40 As -2.7908435 -0.0967022 0.0426803 0.2282298 -2.6665841 0.0157398 0.4419799 -0.1092876 -2.1061315 41 As -2.5801142 -0.1428228 -0.0885689 0.3412635 -2.9989264 0.4258642 -0.2036595 0.1868029 -1.8784406 42 As -2.5801142 0.1428228 -0.0885689 -0.3412635 -2.9989264 -0.4258642 -0.2036595 -0.1868029 -1.8784406 43 As -2.5801142 -0.1428228 -0.0885689 0.3412635 -2.9989264 0.4258642 -0.2036595 0.1868029 -1.8784406 44 As -2.5801142 0.1428228 -0.0885689 -0.3412635 -2.9989264 -0.4258642 -0.2036595 -0.1868029 -1.8784406 45 As -1.6127939 0.1198325 -0.2446567 -0.1998271 -1.3446293 -0.1858219 -0.0669310 0.1834818 -1.6014389 46 As -1.6127939 -0.1198325 -0.2446567 0.1998271 -1.3446293 0.1858219 -0.0669310 -0.1834818 -1.6014389 47 As -1.6127939 0.1198325 -0.2446567 -0.1998271 -1.3446293 -0.1858219 -0.0669310 0.1834818 -1.6014389 48 As -1.6127939 -0.1198325 -0.2446567 0.1998271 -1.3446293 0.1858219 -0.0669310 -0.1834818 -1.6014389 49 As -2.6348628 -0.1264535 0.2805230 -0.3508746 -2.3712426 -0.1267390 0.1724436 -0.0467666 -1.4488500 50 As -2.6348628 0.1264535 0.2805230 0.3508746 -2.3712426 0.1267390 0.1724436 0.0467666 -1.4488500 51 As -2.6348628 -0.1264535 0.2805230 -0.3508746 -2.3712426 -0.1267390 0.1724436 -0.0467666 -1.4488500 52 As -2.6348628 0.1264535 0.2805230 0.3508746 -2.3712426 0.1267390 0.1724436 0.0467666 -1.4488500 53 As -1.9763453 -0.0214943 0.0379955 -0.0263827 -1.1512030 0.2646345 -0.0639004 -0.2232996 -1.8070351 54 As -1.9763453 0.0214943 0.0379955 0.0263827 -1.1512030 -0.2646345 -0.0639004 0.2232996 -1.8070351 55 As -1.9763453 -0.0214943 0.0379955 -0.0263827 -1.1512030 0.2646345 -0.0639004 -0.2232996 -1.8070351 56 As -1.9763453 0.0214943 0.0379955 0.0263827 -1.1512030 -0.2646345 -0.0639004 0.2232996 -1.8070351 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 89, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 105, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xy) -0.00000000 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 01:24:17]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 01:24:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 13.111612096016076 0.000000000000000 0.000000000000000 b 0.000000000000000 6.644268210000000 0.000000000000000 c -0.026024934729879 0.000000000000000 14.307309249821435 Atomic positions (fractional): 1 Na 0.13973253979278 0.95704592202767 0.01186628897344 22.990 2 Na 0.86026746020722 0.45704592202766 0.48813371102656 22.990 3 Na 0.86026746020722 0.04295407797233 0.98813371102656 22.990 4 Na 0.13973253979278 0.54295407797233 0.51186628897344 22.990 5 Na 0.65447335037492 0.57218737699492 0.97555125761999 22.990 6 Na 0.34552664962508 0.07218737699492 0.52444874238001 22.990 7 Na 0.34552664962508 0.42781262300508 0.02444874238001 22.990 8 Na 0.65447335037492 0.92781262300508 0.47555125761999 22.990 9 Na 0.91714644799710 0.54463738754012 0.89030430997507 22.990 10 Na 0.08285355200290 0.04463738754012 0.60969569002493 22.990 11 Na 0.08285355200290 0.45536261245988 0.10969569002493 22.990 12 Na 0.91714644799710 0.95536261245988 0.39030430997507 22.990 13 Na 0.43524758741483 0.91441731159659 0.09029396645439 22.990 14 Na 0.56475241258517 0.41441731159659 0.40970603354561 22.990 15 Na 0.56475241258517 0.08558268840341 0.90970603354561 22.990 16 Na 0.43524758741483 0.58558268840341 0.59029396645439 22.990 17 Ga 0.68261140618688 0.27663985475637 0.15882634750883 69.723 18 Ga 0.31738859381312 0.77663985475637 0.34117365249117 69.723 19 Ga 0.31738859381312 0.72336014524363 0.84117365249117 69.723 20 Ga 0.68261140618688 0.22336014524363 0.65882634750883 69.723 21 Ga 0.09068677528919 0.78067255579051 0.27187261622020 69.723 22 Ga 0.90931322471081 0.28067255579051 0.22812738377980 69.723 23 Ga 0.90931322471081 0.21932744420949 0.72812738377980 69.723 24 Ga 0.09068677528919 0.71932744420949 0.77187261622020 69.723 25 Ga 0.81433755858642 0.75501269227391 0.16813223436843 69.723 26 Ga 0.18566244141358 0.25501269227391 0.33186776563157 69.723 27 Ga 0.18566244141358 0.24498730772609 0.83186776563157 69.723 28 Ga 0.81433755858642 0.74498730772609 0.66813223436843 69.723 29 Ga 0.58737904120323 0.75805001353221 0.24167977606567 69.723 30 Ga 0.41262095879677 0.25805001353221 0.25832022393433 69.723 31 Ga 0.41262095879677 0.24194998646779 0.75832022393433 69.723 32 Ga 0.58737904120323 0.74194998646779 0.74167977606567 69.723 33 As 0.97186366149864 0.95831387105375 0.16713165526892 74.922 34 As 0.02813633850136 0.45831387105375 0.33286834473108 74.922 35 As 0.02813633850136 0.04168612894625 0.83286834473108 74.922 36 As 0.97186366149864 0.54168612894625 0.66713165526892 74.922 37 As 0.84097092498185 0.44063387755531 0.08325653395363 74.922 38 As 0.15902907501815 0.94063387755531 0.41674346604637 74.922 39 As 0.15902907501815 0.55936612244469 0.91674346604637 74.922 40 As 0.84097092498185 0.05936612244469 0.58325653395363 74.922 41 As 0.66031539437971 0.93518261429073 0.10103142140137 74.922 42 As 0.33968460562029 0.43518261429073 0.39896857859863 74.922 43 As 0.33968460562029 0.06481738570927 0.89896857859863 74.922 44 As 0.66031539437971 0.56481738570927 0.60103142140137 74.922 45 As 0.74935456699913 0.84272188906650 0.82663059221978 74.922 46 As 0.25064543300087 0.34272188906649 0.67336940778022 74.922 47 As 0.25064543300087 0.15727811093350 0.17336940778022 74.922 48 As 0.74935456699913 0.65727811093350 0.32663059221978 74.922 49 As 0.52011602782428 0.46650280468400 0.15447178379623 74.922 50 As 0.47988397217572 0.96650280468400 0.34552821620377 74.922 51 As 0.47988397217572 0.53349719531600 0.84552821620377 74.922 52 As 0.52011602782428 0.03349719531600 0.65447178379623 74.922 53 As 0.74846112260976 0.21707436024604 0.82028617844178 74.922 54 As 0.25153887739024 0.71707436024604 0.67971382155822 74.922 55 As 0.25153887739024 0.78292563975396 0.17971382155822 74.922 56 As 0.74846112260976 0.28292563975396 0.32028617844178 74.922 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.111612096016076 0.000000000000000 0.000000000000000 b 0.000000000000000 13.288536420000000 0.000000000000000 c -0.026024934729879 0.000000000000000 14.307309249821435 Atomic positions (fractional): 1 Na 0.13973253979278 0.47852296101383 0.01186628897344 22.990 > 1 2 Na 0.13973253979278 0.97852296101383 0.01186628897344 22.990 > 1 3 Na 0.86026746020722 0.22852296101383 0.48813371102656 22.990 > 3 4 Na 0.86026746020722 0.72852296101383 0.48813371102656 22.990 > 3 5 Na 0.86026746020722 0.02147703898617 0.98813371102656 22.990 > 5 6 Na 0.86026746020722 0.52147703898617 0.98813371102656 22.990 > 5 7 Na 0.13973253979278 0.27147703898617 0.51186628897344 22.990 > 7 8 Na 0.13973253979278 0.77147703898617 0.51186628897344 22.990 > 7 9 Na 0.65447335037492 0.28609368849746 0.97555125761999 22.990 > 9 10 Na 0.65447335037492 0.78609368849746 0.97555125761999 22.990 > 9 11 Na 0.34552664962508 0.03609368849746 0.52444874238001 22.990 > 11 12 Na 0.34552664962508 0.53609368849746 0.52444874238001 22.990 > 11 13 Na 0.34552664962508 0.21390631150254 0.02444874238001 22.990 > 13 14 Na 0.34552664962508 0.71390631150254 0.02444874238001 22.990 > 13 15 Na 0.65447335037492 0.46390631150254 0.47555125761999 22.990 > 15 16 Na 0.65447335037492 0.96390631150254 0.47555125761999 22.990 > 15 17 Na 0.91714644799710 0.27231869377006 0.89030430997507 22.990 > 17 18 Na 0.91714644799710 0.77231869377006 0.89030430997507 22.990 > 17 19 Na 0.08285355200290 0.02231869377006 0.60969569002493 22.990 > 19 20 Na 0.08285355200290 0.52231869377006 0.60969569002493 22.990 > 19 21 Na 0.08285355200290 0.22768130622994 0.10969569002493 22.990 > 21 22 Na 0.08285355200290 0.72768130622994 0.10969569002493 22.990 > 21 23 Na 0.91714644799710 0.47768130622994 0.39030430997507 22.990 > 23 24 Na 0.91714644799710 0.97768130622994 0.39030430997507 22.990 > 23 25 Na 0.43524758741483 0.45720865579830 0.09029396645439 22.990 > 25 26 Na 0.43524758741483 0.95720865579830 0.09029396645439 22.990 > 25 27 Na 0.56475241258517 0.20720865579830 0.40970603354561 22.990 > 27 28 Na 0.56475241258517 0.70720865579830 0.40970603354561 22.990 > 27 29 Na 0.56475241258517 0.04279134420170 0.90970603354561 22.990 > 29 30 Na 0.56475241258517 0.54279134420170 0.90970603354561 22.990 > 29 31 Na 0.43524758741483 0.29279134420170 0.59029396645439 22.990 > 31 32 Na 0.43524758741483 0.79279134420170 0.59029396645439 22.990 > 31 33 Ga 0.68261140618688 0.13831992737819 0.15882634750883 69.723 > 33 34 Ga 0.68261140618688 0.63831992737819 0.15882634750883 69.723 > 33 35 Ga 0.31738859381312 0.38831992737819 0.34117365249117 69.723 > 35 36 Ga 0.31738859381312 0.88831992737819 0.34117365249117 69.723 > 35 37 Ga 0.31738859381312 0.36168007262181 0.84117365249117 69.723 > 37 38 Ga 0.31738859381312 0.86168007262181 0.84117365249117 69.723 > 37 39 Ga 0.68261140618688 0.11168007262181 0.65882634750883 69.723 > 39 40 Ga 0.68261140618688 0.61168007262181 0.65882634750883 69.723 > 39 41 Ga 0.09068677528919 0.39033627789526 0.27187261622020 69.723 > 41 42 Ga 0.09068677528919 0.89033627789526 0.27187261622020 69.723 > 41 43 Ga 0.90931322471081 0.14033627789526 0.22812738377980 69.723 > 43 44 Ga 0.90931322471081 0.64033627789526 0.22812738377980 69.723 > 43 45 Ga 0.90931322471081 0.10966372210474 0.72812738377980 69.723 > 45 46 Ga 0.90931322471081 0.60966372210474 0.72812738377980 69.723 > 45 47 Ga 0.09068677528919 0.35966372210474 0.77187261622020 69.723 > 47 48 Ga 0.09068677528919 0.85966372210474 0.77187261622020 69.723 > 47 49 Ga 0.81433755858642 0.37750634613695 0.16813223436843 69.723 > 49 50 Ga 0.81433755858642 0.87750634613695 0.16813223436843 69.723 > 49 51 Ga 0.18566244141358 0.12750634613695 0.33186776563157 69.723 > 51 52 Ga 0.18566244141358 0.62750634613695 0.33186776563157 69.723 > 51 53 Ga 0.18566244141358 0.12249365386305 0.83186776563157 69.723 > 53 54 Ga 0.18566244141358 0.62249365386305 0.83186776563157 69.723 > 53 55 Ga 0.81433755858642 0.37249365386305 0.66813223436843 69.723 > 55 56 Ga 0.81433755858642 0.87249365386305 0.66813223436843 69.723 > 55 57 Ga 0.58737904120323 0.37902500676610 0.24167977606567 69.723 > 57 58 Ga 0.58737904120323 0.87902500676610 0.24167977606567 69.723 > 57 59 Ga 0.41262095879677 0.12902500676610 0.25832022393433 69.723 > 59 60 Ga 0.41262095879677 0.62902500676610 0.25832022393433 69.723 > 59 61 Ga 0.41262095879677 0.12097499323390 0.75832022393433 69.723 > 61 62 Ga 0.41262095879677 0.62097499323390 0.75832022393433 69.723 > 61 63 Ga 0.58737904120323 0.37097499323390 0.74167977606567 69.723 > 63 64 Ga 0.58737904120323 0.87097499323390 0.74167977606567 69.723 > 63 65 As 0.97186366149864 0.47915693552688 0.16713165526892 74.922 > 65 66 As 0.97186366149864 0.97915693552688 0.16713165526892 74.922 > 65 67 As 0.02813633850136 0.22915693552688 0.33286834473108 74.922 > 67 68 As 0.02813633850136 0.72915693552688 0.33286834473108 74.922 > 67 69 As 0.02813633850136 0.02084306447312 0.83286834473108 74.922 > 69 70 As 0.02813633850136 0.52084306447312 0.83286834473108 74.922 > 69 71 As 0.97186366149864 0.27084306447312 0.66713165526892 74.922 > 71 72 As 0.97186366149864 0.77084306447312 0.66713165526892 74.922 > 71 73 As 0.84097092498185 0.22031693877765 0.08325653395363 74.922 > 73 74 As 0.84097092498185 0.72031693877765 0.08325653395363 74.922 > 73 75 As 0.15902907501815 0.47031693877765 0.41674346604637 74.922 > 75 76 As 0.15902907501815 0.97031693877765 0.41674346604637 74.922 > 75 77 As 0.15902907501815 0.27968306122235 0.91674346604637 74.922 > 77 78 As 0.15902907501815 0.77968306122235 0.91674346604637 74.922 > 77 79 As 0.84097092498185 0.02968306122235 0.58325653395363 74.922 > 79 80 As 0.84097092498185 0.52968306122235 0.58325653395363 74.922 > 79 81 As 0.66031539437971 0.46759130714536 0.10103142140137 74.922 > 81 82 As 0.66031539437971 0.96759130714536 0.10103142140137 74.922 > 81 83 As 0.33968460562029 0.21759130714536 0.39896857859863 74.922 > 83 84 As 0.33968460562029 0.71759130714536 0.39896857859863 74.922 > 83 85 As 0.33968460562029 0.03240869285464 0.89896857859863 74.922 > 85 86 As 0.33968460562029 0.53240869285464 0.89896857859863 74.922 > 85 87 As 0.66031539437971 0.28240869285464 0.60103142140137 74.922 > 87 88 As 0.66031539437971 0.78240869285464 0.60103142140137 74.922 > 87 89 As 0.74935456699913 0.42136094453325 0.82663059221978 74.922 > 89 90 As 0.74935456699913 0.92136094453325 0.82663059221978 74.922 > 89 91 As 0.25064543300087 0.17136094453325 0.67336940778022 74.922 > 91 92 As 0.25064543300087 0.67136094453325 0.67336940778022 74.922 > 91 93 As 0.25064543300087 0.07863905546675 0.17336940778022 74.922 > 93 94 As 0.25064543300087 0.57863905546675 0.17336940778022 74.922 > 93 95 As 0.74935456699913 0.32863905546675 0.32663059221978 74.922 > 95 96 As 0.74935456699913 0.82863905546675 0.32663059221978 74.922 > 95 97 As 0.52011602782428 0.23325140234200 0.15447178379623 74.922 > 97 98 As 0.52011602782428 0.73325140234200 0.15447178379623 74.922 > 97 99 As 0.47988397217572 0.48325140234200 0.34552821620377 74.922 > 99 100 As 0.47988397217572 0.98325140234200 0.34552821620377 74.922 > 99 101 As 0.47988397217572 0.26674859765800 0.84552821620377 74.922 > 101 102 As 0.47988397217572 0.76674859765800 0.84552821620377 74.922 > 101 103 As 0.52011602782428 0.01674859765800 0.65447178379623 74.922 > 103 104 As 0.52011602782428 0.51674859765800 0.65447178379623 74.922 > 103 105 As 0.74846112260976 0.10853718012302 0.82028617844178 74.922 > 105 106 As 0.74846112260976 0.60853718012302 0.82028617844178 74.922 > 105 107 As 0.25153887739024 0.35853718012302 0.67971382155822 74.922 > 107 108 As 0.25153887739024 0.85853718012302 0.67971382155822 74.922 > 107 109 As 0.25153887739024 0.39146281987698 0.17971382155822 74.922 > 109 110 As 0.25153887739024 0.89146281987698 0.17971382155822 74.922 > 109 111 As 0.74846112260976 0.14146281987698 0.32028617844178 74.922 > 111 112 As 0.74846112260976 0.64146281987698 0.32028617844178 74.922 > 111 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 13.5768786 0.0000000 -0.2147950 0.0000000 14.1141010 0.0000000 -0.2185317 0.0000000 10.0146163 -------------------------- Born effective charges -------------------------- 1 Na 0.9924340 -0.0067257 -0.0349553 0.0711013 0.9563808 0.0320539 -0.0791325 0.1199573 2.0132288 2 Na 0.9924340 0.0067257 -0.0349553 -0.0711013 0.9563808 -0.0320539 -0.0791325 -0.1199573 2.0132288 3 Na 0.9924340 -0.0067257 -0.0349553 0.0711013 0.9563808 0.0320539 -0.0791325 0.1199573 2.0132288 4 Na 0.9924340 0.0067257 -0.0349553 -0.0711013 0.9563808 -0.0320539 -0.0791325 -0.1199573 2.0132288 5 Na 0.9442295 0.0180857 0.1114354 0.0057015 1.0614326 -0.0160799 0.1266865 0.0551323 2.0383013 6 Na 0.9442295 -0.0180857 0.1114354 -0.0057015 1.0614326 0.0160799 0.1266865 -0.0551323 2.0383013 7 Na 0.9442295 0.0180857 0.1114354 0.0057015 1.0614326 -0.0160799 0.1266865 0.0551323 2.0383013 8 Na 0.9442295 -0.0180857 0.1114354 -0.0057015 1.0614326 0.0160799 0.1266865 -0.0551323 2.0383013 9 Na 1.3219748 0.0405287 -0.0670953 0.0773810 1.3069713 -0.0164918 -0.1371206 -0.0932337 1.4159376 10 Na 1.3219748 -0.0405287 -0.0670953 -0.0773810 1.3069713 0.0164918 -0.1371206 0.0932337 1.4159376 11 Na 1.3219748 0.0405287 -0.0670953 0.0773810 1.3069713 -0.0164918 -0.1371206 -0.0932337 1.4159376 12 Na 1.3219748 -0.0405287 -0.0670953 -0.0773810 1.3069713 0.0164918 -0.1371206 0.0932337 1.4159376 13 Na 1.2230425 -0.1379939 0.0994571 -0.2583173 1.1323209 -0.0606259 0.1146214 -0.0381555 1.5305649 14 Na 1.2230425 0.1379939 0.0994571 0.2583173 1.1323209 0.0606259 0.1146214 0.0381555 1.5305649 15 Na 1.2230425 -0.1379939 0.0994571 -0.2583173 1.1323209 -0.0606259 0.1146214 -0.0381555 1.5305649 16 Na 1.2230425 0.1379939 0.0994571 0.2583173 1.1323209 0.0606259 0.1146214 0.0381555 1.5305649 17 Ga 2.4612612 -0.0120112 0.1354474 0.4701387 2.3026405 0.6523853 -0.2585287 0.1413094 0.8220733 18 Ga 2.4612612 0.0120112 0.1354474 -0.4701387 2.3026405 -0.6523853 -0.2585287 -0.1413094 0.8220733 19 Ga 2.4612612 -0.0120112 0.1354474 0.4701387 2.3026405 0.6523853 -0.2585287 0.1413094 0.8220733 20 Ga 2.4612612 0.0120112 0.1354474 -0.4701387 2.3026405 -0.6523853 -0.2585287 -0.1413094 0.8220733 21 Ga 2.3407245 0.0835956 0.8118677 0.6034307 1.9996232 -0.8621046 0.3491683 -0.0768404 0.8353685 22 Ga 2.3407245 -0.0835956 0.8118677 -0.6034307 1.9996232 0.8621046 0.3491683 0.0768404 0.8353685 23 Ga 2.3407245 0.0835956 0.8118677 0.6034307 1.9996232 -0.8621046 0.3491683 -0.0768404 0.8353685 24 Ga 2.3407245 -0.0835956 0.8118677 -0.6034307 1.9996232 0.8621046 0.3491683 0.0768404 0.8353685 25 Ga 2.5134803 0.2693439 -0.0530830 -0.0107449 2.3798624 -0.1610301 0.1877272 -0.0677465 0.7151054 26 Ga 2.5134803 -0.2693439 -0.0530830 0.0107449 2.3798624 0.1610301 0.1877272 0.0677465 0.7151054 27 Ga 2.5134803 0.2693439 -0.0530830 -0.0107449 2.3798624 -0.1610301 0.1877272 -0.0677465 0.7151054 28 Ga 2.5134803 -0.2693439 -0.0530830 0.0107449 2.3798624 0.1610301 0.1877272 0.0677465 0.7151054 29 Ga 2.3010561 -0.3293113 -0.6322987 -0.1783174 2.1242434 0.2776471 -0.4125403 -0.0275302 0.7413448 30 Ga 2.3010561 0.3293113 -0.6322987 0.1783174 2.1242434 -0.2776471 -0.4125403 0.0275302 0.7413448 31 Ga 2.3010561 -0.3293113 -0.6322987 -0.1783174 2.1242434 0.2776471 -0.4125403 -0.0275302 0.7413448 32 Ga 2.3010561 0.3293113 -0.6322987 0.1783174 2.1242434 -0.2776471 -0.4125403 0.0275302 0.7413448 33 As -2.5032431 0.0815003 -0.3987484 0.1997264 -2.7308899 -0.0365900 -0.1708138 -0.0153325 -1.2700284 34 As -2.5032431 -0.0815003 -0.3987484 -0.1997264 -2.7308899 0.0365900 -0.1708138 0.0153325 -1.2700284 35 As -2.5032431 0.0815003 -0.3987484 0.1997264 -2.7308899 -0.0365900 -0.1708138 -0.0153325 -1.2700284 36 As -2.5032431 -0.0815003 -0.3987484 -0.1997264 -2.7308899 0.0365900 -0.1708138 0.0153325 -1.2700284 37 As -2.7908435 0.0967022 0.0426803 -0.2282298 -2.6665841 -0.0157398 0.4419799 0.1092876 -2.1061315 38 As -2.7908435 -0.0967022 0.0426803 0.2282298 -2.6665841 0.0157398 0.4419799 -0.1092876 -2.1061315 39 As -2.7908435 0.0967022 0.0426803 -0.2282298 -2.6665841 -0.0157398 0.4419799 0.1092876 -2.1061315 40 As -2.7908435 -0.0967022 0.0426803 0.2282298 -2.6665841 0.0157398 0.4419799 -0.1092876 -2.1061315 41 As -2.5801142 -0.1428228 -0.0885689 0.3412635 -2.9989264 0.4258642 -0.2036595 0.1868029 -1.8784406 42 As -2.5801142 0.1428228 -0.0885689 -0.3412635 -2.9989264 -0.4258642 -0.2036595 -0.1868029 -1.8784406 43 As -2.5801142 -0.1428228 -0.0885689 0.3412635 -2.9989264 0.4258642 -0.2036595 0.1868029 -1.8784406 44 As -2.5801142 0.1428228 -0.0885689 -0.3412635 -2.9989264 -0.4258642 -0.2036595 -0.1868029 -1.8784406 45 As -1.6127939 0.1198325 -0.2446567 -0.1998271 -1.3446293 -0.1858219 -0.0669310 0.1834818 -1.6014389 46 As -1.6127939 -0.1198325 -0.2446567 0.1998271 -1.3446293 0.1858219 -0.0669310 -0.1834818 -1.6014389 47 As -1.6127939 0.1198325 -0.2446567 -0.1998271 -1.3446293 -0.1858219 -0.0669310 0.1834818 -1.6014389 48 As -1.6127939 -0.1198325 -0.2446567 0.1998271 -1.3446293 0.1858219 -0.0669310 -0.1834818 -1.6014389 49 As -2.6348628 -0.1264535 0.2805230 -0.3508746 -2.3712426 -0.1267390 0.1724436 -0.0467666 -1.4488500 50 As -2.6348628 0.1264535 0.2805230 0.3508746 -2.3712426 0.1267390 0.1724436 0.0467666 -1.4488500 51 As -2.6348628 -0.1264535 0.2805230 -0.3508746 -2.3712426 -0.1267390 0.1724436 -0.0467666 -1.4488500 52 As -2.6348628 0.1264535 0.2805230 0.3508746 -2.3712426 0.1267390 0.1724436 0.0467666 -1.4488500 53 As -1.9763453 -0.0214943 0.0379955 -0.0263827 -1.1512030 0.2646345 -0.0639004 -0.2232996 -1.8070351 54 As -1.9763453 0.0214943 0.0379955 0.0263827 -1.1512030 -0.2646345 -0.0639004 0.2232996 -1.8070351 55 As -1.9763453 -0.0214943 0.0379955 -0.0263827 -1.1512030 0.2646345 -0.0639004 -0.2232996 -1.8070351 56 As -1.9763453 0.0214943 0.0379955 0.0263827 -1.1512030 -0.2646345 -0.0639004 0.2232996 -1.8070351 ---------------------------------------------------------------------------- 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 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 4 8 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: 0.39, Number of G-points: 305, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/35) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 35 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.833 ( 0.000 0.000 0.000) 0.000 1.043 ( 0.000 0.000 0.000) 0.000 1.211 ( 0.000 0.000 0.000) 0.000 1.378 ( 0.000 0.000 0.000) 0.000 1.482 ( 0.000 0.000 0.000) 0.000 1.518 ( 0.000 0.000 0.000) 0.000 1.525 ( 0.000 0.000 0.000) 0.000 1.553 ( 0.000 0.000 0.000) 0.000 1.635 ( 0.000 0.000 0.000) 0.000 1.636 ( 0.000 0.000 0.000) 0.000 1.664 ( 0.000 0.000 0.000) 0.000 1.787 ( 0.000 0.000 0.000) 0.000 1.816 ( 0.000 0.000 0.000) 0.000 1.840 ( 0.000 0.000 0.000) 0.000 1.855 ( 0.000 0.000 0.000) 0.000 1.882 ( 0.000 0.000 0.000) 0.000 2.029 ( 0.000 0.000 0.000) 0.000 2.091 ( 0.000 0.000 0.000) 0.000 2.101 ( 0.000 0.000 0.000) 0.000 2.104 ( 0.000 0.000 0.000) 0.000 2.159 ( 0.000 0.000 0.000) 0.000 2.178 ( 0.000 0.000 0.000) 0.000 2.229 ( 0.000 0.000 0.000) 0.000 2.258 ( 0.000 0.000 0.000) 0.000 2.306 ( 0.000 0.000 0.000) 0.000 2.314 ( 0.000 0.000 0.000) 0.000 2.319 ( 0.000 0.000 0.000) 0.000 2.501 ( 0.000 0.000 0.000) 0.000 2.520 ( 0.000 0.000 0.000) 0.000 2.554 ( 0.000 0.000 0.000) 0.000 2.596 ( 0.000 0.000 0.000) 0.000 2.678 ( 0.000 0.000 0.000) 0.000 2.700 ( 0.000 0.000 0.000) 0.000 2.720 ( 0.000 0.000 0.000) 0.000 2.761 ( 0.000 0.000 0.000) 0.000 2.771 ( 0.000 0.000 0.000) 0.000 2.825 ( 0.000 0.000 0.000) 0.000 2.846 ( 0.000 0.000 0.000) 0.000 2.860 ( 0.000 0.000 0.000) 0.000 2.879 ( 0.000 0.000 0.000) 0.000 2.896 ( 0.000 0.000 0.000) 0.000 2.935 ( 0.000 0.000 0.000) 0.000 2.942 ( 0.000 0.000 0.000) 0.000 3.010 ( 0.000 0.000 0.000) 0.000 3.030 ( 0.000 0.000 0.000) 0.000 3.033 ( 0.000 0.000 0.000) 0.000 3.096 ( 0.000 0.000 0.000) 0.000 3.143 ( 0.000 0.000 0.000) 0.000 3.153 ( 0.000 0.000 0.000) 0.000 3.158 ( 0.000 0.000 0.000) 0.000 3.191 ( 0.000 0.000 0.000) 0.000 3.224 ( 0.000 0.000 0.000) 0.000 3.248 ( 0.000 0.000 0.000) 0.000 3.282 ( 0.000 0.000 0.000) 0.000 3.308 ( 0.000 0.000 0.000) 0.000 3.316 ( 0.000 0.000 0.000) 0.000 3.342 ( 0.000 0.000 0.000) 0.000 3.361 ( 0.000 0.000 0.000) 0.000 3.361 ( 0.000 0.000 0.000) 0.000 3.504 ( 0.000 0.000 0.000) 0.000 3.509 ( 0.000 0.000 0.000) 0.000 3.516 ( 0.000 0.000 0.000) 0.000 3.610 ( 0.000 0.000 0.000) 0.000 3.637 ( 0.000 0.000 0.000) 0.000 3.670 ( 0.000 0.000 0.000) 0.000 3.672 ( 0.000 0.000 0.000) 0.000 3.681 ( 0.000 0.000 0.000) 0.000 3.718 ( 0.000 0.000 0.000) 0.000 3.794 ( 0.000 0.000 0.000) 0.000 3.879 ( 0.000 0.000 0.000) 0.000 3.882 ( 0.000 0.000 0.000) 0.000 3.897 ( 0.000 0.000 0.000) 0.000 4.000 ( 0.000 0.000 0.000) 0.000 4.013 ( 0.000 0.000 0.000) 0.000 4.101 ( 0.000 0.000 0.000) 0.000 4.140 ( 0.000 0.000 0.000) 0.000 4.164 ( 0.000 0.000 0.000) 0.000 4.204 ( 0.000 0.000 0.000) 0.000 4.208 ( 0.000 0.000 0.000) 0.000 4.232 ( 0.000 0.000 0.000) 0.000 4.316 ( 0.000 0.000 0.000) 0.000 4.329 ( 0.000 0.000 0.000) 0.000 4.347 ( 0.000 0.000 0.000) 0.000 4.362 ( 0.000 0.000 0.000) 0.000 4.461 ( 0.000 0.000 0.000) 0.000 4.496 ( 0.000 0.000 0.000) 0.000 4.533 ( 0.000 0.000 0.000) 0.000 4.567 ( 0.000 0.000 0.000) 0.000 4.739 ( 0.000 0.000 0.000) 0.000 4.752 ( 0.000 0.000 0.000) 0.000 4.793 ( 0.000 0.000 0.000) 0.000 4.803 ( 0.000 0.000 0.000) 0.000 4.863 ( 0.000 0.000 0.000) 0.000 4.866 ( 0.000 0.000 0.000) 0.000 4.988 ( 0.000 0.000 0.000) 0.000 5.010 ( 0.000 0.000 0.000) 0.000 5.019 ( 0.000 0.000 0.000) 0.000 5.062 ( 0.000 0.000 0.000) 0.000 5.140 ( 0.000 0.000 0.000) 0.000 5.165 ( 0.000 0.000 0.000) 0.000 5.191 ( 0.000 0.000 0.000) 0.000 5.277 ( 0.000 0.000 0.000) 0.000 5.279 ( 0.000 0.000 0.000) 0.000 5.357 ( 0.000 0.000 0.000) 0.000 5.426 ( 0.000 0.000 0.000) 0.000 5.458 ( 0.000 0.000 0.000) 0.000 5.533 ( 0.000 0.000 0.000) 0.000 5.555 ( 0.000 0.000 0.000) 0.000 5.609 ( 0.000 0.000 0.000) 0.000 5.673 ( 0.000 0.000 0.000) 0.000 5.673 ( 0.000 0.000 0.000) 0.000 5.738 ( 0.000 0.000 0.000) 0.000 5.760 ( 0.000 0.000 0.000) 0.000 5.781 ( 0.000 0.000 0.000) 0.000 5.867 ( 0.000 0.000 0.000) 0.000 5.911 ( 0.000 0.000 0.000) 0.000 5.978 ( 0.000 0.000 0.000) 0.000 6.029 ( 0.000 0.000 0.000) 0.000 6.084 ( 0.000 0.000 0.000) 0.000 6.104 ( 0.000 0.000 0.000) 0.000 6.167 ( 0.000 0.000 0.000) 0.000 6.204 ( 0.000 0.000 0.000) 0.000 6.253 ( 0.000 0.000 0.000) 0.000 6.261 ( 0.000 0.000 0.000) 0.000 6.264 ( 0.000 0.000 0.000) 0.000 6.326 ( 0.000 0.000 0.000) 0.000 6.377 ( 0.000 0.000 0.000) 0.000 6.392 ( 0.000 0.000 0.000) 0.000 6.403 ( 0.000 0.000 0.000) 0.000 6.447 ( 0.000 0.000 0.000) 0.000 6.504 ( 0.000 0.000 0.000) 0.000 6.535 ( 0.000 0.000 0.000) 0.000 6.556 ( 0.000 0.000 0.000) 0.000 6.585 ( 0.000 0.000 0.000) 0.000 6.645 ( 0.000 0.000 0.000) 0.000 6.654 ( 0.000 0.000 0.000) 0.000 6.689 ( 0.000 0.000 0.000) 0.000 6.726 ( 0.000 0.000 0.000) 0.000 6.732 ( 0.000 0.000 0.000) 0.000 6.775 ( 0.000 0.000 0.000) 0.000 6.794 ( 0.000 0.000 0.000) 0.000 6.901 ( 0.000 0.000 0.000) 0.000 6.922 ( 0.000 0.000 0.000) 0.000 6.992 ( 0.000 0.000 0.000) 0.000 6.996 ( 0.000 0.000 0.000) 0.000 7.050 ( 0.000 0.000 0.000) 0.000 7.088 ( 0.000 0.000 0.000) 0.000 7.101 ( 0.000 0.000 0.000) 0.000 7.116 ( 0.000 0.000 0.000) 0.000 7.133 ( 0.000 0.000 0.000) 0.000 7.152 ( 0.000 0.000 0.000) 0.000 7.186 ( 0.000 0.000 0.000) 0.000 7.239 ( 0.000 0.000 0.000) 0.000 7.268 ( 0.000 0.000 0.000) 0.000 7.272 ( 0.000 0.000 0.000) 0.000 7.418 ( 0.000 0.000 0.000) 0.000 7.427 ( 0.000 0.000 0.000) 0.000 7.479 ( 0.000 0.000 0.000) 0.000 7.489 ( 0.000 0.000 0.000) 0.000 7.497 ( 0.000 0.000 0.000) 0.000 7.553 ( 0.000 0.000 0.000) 0.000 7.631 ( 0.000 0.000 0.000) 0.000 7.662 ( 0.000 0.000 0.000) 0.000 7.667 ( 0.000 0.000 0.000) 0.000 7.694 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/35) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.366 ( 19.388 0.000 6.449) 20.432 0.421 ( 21.417 0.000 0.268) 21.419 0.746 ( 36.681 0.000 -0.704) 36.688 0.957 ( 11.792 0.000 -0.838) 11.822 1.071 ( -6.553 0.000 -0.286) 6.559 1.170 ( -18.923 0.000 -2.341) 19.068 1.173 ( 3.530 0.000 1.946) 4.031 1.368 ( -1.287 0.000 3.150) 3.403 1.426 ( -0.493 0.000 0.388) 0.627 1.513 ( -11.011 0.000 -3.766) 11.637 1.528 ( -6.917 0.000 0.426) 6.930 1.628 ( -6.441 0.000 -3.524) 7.342 1.666 ( -3.387 0.000 -0.201) 3.393 1.686 ( 2.221 0.000 2.099) 3.056 1.798 ( 8.532 0.000 -0.481) 8.545 1.798 ( 5.340 0.000 0.095) 5.340 1.846 ( 0.867 0.000 -4.349) 4.435 1.925 ( 5.856 0.000 0.456) 5.874 1.969 ( -9.176 0.000 -0.103) 9.177 2.016 ( 5.669 0.000 0.734) 5.716 2.076 ( 1.784 0.000 -0.460) 1.842 2.137 ( -0.075 0.000 1.353) 1.355 2.141 ( 1.543 0.000 -0.017) 1.543 2.164 ( 1.799 0.000 2.940) 3.447 2.187 ( 2.074 0.000 0.362) 2.105 2.246 ( -0.515 0.000 2.188) 2.248 2.266 ( 3.938 0.000 -0.544) 3.975 2.313 ( 0.895 0.000 0.964) 1.316 2.332 ( 1.506 0.000 -0.030) 1.506 2.348 ( 0.242 0.000 0.235) 0.337 2.419 ( -6.162 0.000 0.346) 6.171 2.451 ( -3.728 0.000 2.265) 4.362 2.572 ( -1.755 0.000 -4.495) 4.825 2.590 ( -10.049 0.000 -0.127) 10.050 2.613 ( -3.692 0.000 0.277) 3.703 2.694 ( 3.248 0.000 -0.347) 3.267 2.722 ( 1.611 0.000 1.569) 2.249 2.761 ( 4.718 0.000 -1.030) 4.829 2.770 ( -2.032 0.000 0.480) 2.088 2.834 ( 0.916 0.000 2.486) 2.650 2.850 ( 0.851 0.000 1.275) 1.533 2.853 ( 2.835 0.000 -0.813) 2.950 2.872 ( -2.499 0.000 -2.732) 3.702 2.890 ( -0.913 0.000 -0.651) 1.122 2.945 ( 1.336 0.000 -1.441) 1.965 2.996 ( 0.136 0.000 -3.027) 3.030 2.998 ( 2.825 0.000 1.390) 3.149 3.045 ( 0.479 0.000 -3.914) 3.944 3.061 ( 1.155 0.000 0.735) 1.369 3.063 ( -6.716 0.000 0.471) 6.732 3.096 ( -5.142 0.000 0.608) 5.178 3.118 ( 1.050 0.000 3.263) 3.428 3.157 ( -0.115 0.000 -0.607) 0.617 3.158 ( -0.149 0.000 3.257) 3.260 3.231 ( -0.777 0.000 -1.962) 2.110 3.233 ( -2.965 0.000 -0.996) 3.128 3.269 ( -0.625 0.000 -0.345) 0.714 3.287 ( -1.979 0.000 1.614) 2.554 3.336 ( -1.005 0.000 1.655) 1.936 3.340 ( -1.713 0.000 0.276) 1.735 3.376 ( 2.737 0.000 2.518) 3.719 3.427 ( 1.568 0.000 -2.906) 3.302 3.470 ( 1.189 0.000 0.356) 1.241 3.494 ( 2.350 0.000 1.483) 2.779 3.522 ( -5.032 0.000 -4.463) 6.726 3.550 ( -5.589 0.000 -1.536) 5.796 3.645 ( 0.862 0.000 0.056) 0.864 3.658 ( -0.167 0.000 2.718) 2.723 3.692 ( 1.800 0.000 1.112) 2.116 3.711 ( 1.126 0.000 0.343) 1.177 3.739 ( 1.758 0.000 -2.402) 2.977 3.758 ( -1.868 0.000 0.423) 1.916 3.864 ( 0.288 0.000 -1.193) 1.227 3.907 ( -6.040 0.000 0.582) 6.068 3.918 ( 0.548 0.000 2.303) 2.367 3.929 ( 2.369 0.000 -0.985) 2.566 4.043 ( 2.596 0.000 0.718) 2.693 4.076 ( -2.706 0.000 1.192) 2.957 4.112 ( -2.577 0.000 -1.782) 3.133 4.154 ( -2.206 0.000 -1.097) 2.464 4.173 ( -0.274 0.000 -2.814) 2.827 4.187 ( -3.828 0.000 2.227) 4.428 4.246 ( 0.481 0.000 1.466) 1.543 4.309 ( 0.536 0.000 -1.044) 1.174 4.375 ( 1.823 0.000 3.466) 3.916 4.406 ( 4.962 0.000 2.004) 5.351 4.474 ( -0.654 0.000 1.664) 1.788 4.490 ( 3.187 0.000 1.383) 3.474 4.501 ( -1.123 0.000 1.656) 2.001 4.510 ( 9.634 0.000 -2.600) 9.978 4.622 ( -9.310 0.000 -5.823) 10.981 4.632 ( 4.017 0.000 -1.803) 4.403 4.727 ( -0.864 0.000 -5.639) 5.705 4.770 ( -0.673 0.000 -0.524) 0.852 4.817 ( -2.551 0.000 -2.398) 3.501 4.852 ( -0.995 0.000 -0.191) 1.014 4.934 ( 2.298 0.000 4.110) 4.709 4.977 ( -0.827 0.000 -0.783) 1.139 4.979 ( -5.866 0.000 1.783) 6.131 5.059 ( 2.775 0.000 -0.054) 2.775 5.110 ( 4.821 0.000 3.642) 6.042 5.154 ( 0.754 0.000 0.564) 0.942 5.186 ( -2.431 0.000 -1.989) 3.141 5.199 ( 4.033 0.000 -0.286) 4.043 5.309 ( 5.076 0.000 -2.547) 5.679 5.313 ( 2.679 0.000 -0.147) 2.683 5.324 ( -4.030 0.000 0.824) 4.113 5.420 ( 3.461 0.000 2.463) 4.248 5.496 ( -0.958 0.000 -1.131) 1.482 5.538 ( 0.270 0.000 -1.051) 1.085 5.605 ( -2.637 0.000 0.505) 2.685 5.638 ( 0.291 0.000 -0.227) 0.369 5.680 ( -0.948 0.000 3.473) 3.600 5.682 ( 7.835 0.000 -1.386) 7.957 5.731 ( -0.908 0.000 1.024) 1.369 5.781 ( 0.429 0.000 -1.238) 1.310 5.791 ( 3.008 0.000 1.229) 3.249 5.878 ( 1.338 0.000 1.541) 2.040 5.923 ( -0.470 0.000 -0.901) 1.016 5.988 ( 0.363 0.000 -2.548) 2.574 6.018 ( -3.138 0.000 -0.511) 3.179 6.045 ( -3.406 0.000 0.034) 3.406 6.105 ( 1.543 0.000 0.207) 1.557 6.166 ( 0.124 0.000 -0.514) 0.529 6.193 ( -4.219 0.000 1.907) 4.630 6.226 ( -0.479 0.000 0.367) 0.603 6.238 ( -1.710 0.000 -0.354) 1.746 6.255 ( -0.305 0.000 -0.297) 0.426 6.330 ( 0.140 0.000 -0.983) 0.993 6.360 ( -1.835 0.000 -0.289) 1.858 6.369 ( -0.635 0.000 -0.347) 0.724 6.416 ( -0.057 0.000 1.147) 1.148 6.481 ( -2.618 0.000 0.149) 2.623 6.520 ( -0.062 0.000 -1.068) 1.070 6.551 ( 1.106 0.000 0.900) 1.425 6.564 ( 1.236 0.000 0.259) 1.262 6.591 ( 0.476 0.000 0.228) 0.527 6.650 ( -0.016 0.000 -0.065) 0.067 6.659 ( 0.493 0.000 -0.075) 0.499 6.683 ( -0.565 0.000 -0.682) 0.885 6.748 ( 1.391 0.000 -0.749) 1.580 6.788 ( 1.191 0.000 -0.237) 1.215 6.834 ( 3.368 0.000 0.770) 3.455 6.896 ( -0.231 0.000 -0.309) 0.386 6.911 ( -0.839 0.000 0.065) 0.842 6.974 ( -1.496 0.000 -0.221) 1.513 7.010 ( 1.112 0.000 -0.353) 1.166 7.052 ( 1.563 0.000 1.938) 2.490 7.060 ( -1.618 0.000 0.371) 1.660 7.102 ( -0.168 0.000 0.306) 0.349 7.123 ( 1.113 0.000 -0.049) 1.114 7.132 ( -1.675 0.000 -1.836) 2.485 7.137 ( 0.260 0.000 0.088) 0.274 7.178 ( -0.198 0.000 -0.198) 0.280 7.233 ( -0.602 0.000 -0.662) 0.894 7.251 ( 1.387 0.000 -1.001) 1.711 7.276 ( 0.367 0.000 0.174) 0.406 7.297 ( 1.200 0.000 0.106) 1.205 7.421 ( 0.299 0.000 -0.075) 0.309 7.432 ( 0.432 0.000 0.002) 0.432 7.484 ( 0.480 0.000 -0.729) 0.872 7.489 ( 0.211 0.000 1.234) 1.252 7.508 ( 0.990 0.000 -0.557) 1.136 7.534 ( -2.048 0.000 3.409) 3.976 7.637 ( -2.553 0.000 -0.231) 2.563 7.643 ( -0.706 0.000 1.804) 1.938 7.665 ( 0.133 0.000 0.113) 0.175 7.695 ( -0.060 0.000 -0.198) 0.207 ======================= Grid point 2 (3/35) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 20 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( 0.000 0.000 0.000) 0.000 0.779 ( 0.000 0.000 0.000) 0.000 0.828 ( -0.000 0.000 -0.000) 0.000 0.833 ( -0.000 0.000 -0.000) 0.000 1.176 ( 0.000 0.000 0.000) 0.000 1.254 ( -0.000 0.000 -0.000) 0.000 1.262 ( 0.000 0.000 0.000) 0.000 1.341 ( 0.000 0.000 0.000) 0.000 1.365 ( -0.000 0.000 0.000) 0.000 1.393 ( -0.000 0.000 -0.000) 0.000 1.498 ( 0.000 0.000 0.000) 0.000 1.520 ( -0.000 0.000 -0.000) 0.000 1.607 ( -0.000 0.000 0.000) 0.000 1.637 ( 0.000 0.000 -0.000) 0.000 1.692 ( 0.000 0.000 0.000) 0.000 1.875 ( 0.000 0.000 0.000) 0.000 1.878 ( 0.000 0.000 -0.000) 0.000 1.924 ( 0.000 0.000 -0.000) 0.000 2.018 ( 0.000 0.000 -0.000) 0.000 2.122 ( -0.000 0.000 0.000) 0.000 2.138 ( 0.000 0.000 0.000) 0.000 2.166 ( 0.000 0.000 -0.000) 0.000 2.174 ( 0.000 0.000 0.000) 0.000 2.177 ( 0.000 0.000 0.000) 0.000 2.183 ( -0.000 0.000 -0.000) 0.000 2.260 ( -0.000 0.000 0.000) 0.000 2.281 ( 0.000 0.000 0.000) 0.000 2.306 ( 0.000 0.000 -0.000) 0.000 2.330 ( 0.000 0.000 0.000) 0.000 2.331 ( 0.000 0.000 0.000) 0.000 2.336 ( -0.000 0.000 -0.000) 0.000 2.411 ( -0.000 0.000 0.000) 0.000 2.442 ( -0.000 0.000 0.000) 0.000 2.541 ( 0.000 0.000 0.000) 0.000 2.602 ( 0.000 0.000 0.000) 0.000 2.710 ( 0.000 0.000 0.000) 0.000 2.777 ( -0.000 0.000 0.000) 0.000 2.785 ( -0.000 0.000 0.000) 0.000 2.808 ( 0.000 0.000 -0.000) 0.000 2.827 ( 0.000 0.000 0.000) 0.000 2.827 ( -0.000 0.000 -0.000) 0.000 2.841 ( -0.000 0.000 0.000) 0.000 2.884 ( 0.000 0.000 0.000) 0.000 2.905 ( 0.000 0.000 -0.000) 0.000 2.984 ( 0.000 0.000 -0.000) 0.000 2.986 ( -0.000 0.000 0.000) 0.000 2.996 ( 0.000 0.000 -0.000) 0.000 3.024 ( 0.000 0.000 -0.000) 0.000 3.036 ( 0.000 0.000 0.000) 0.000 3.050 ( 0.000 0.000 0.000) 0.000 3.088 ( 0.000 0.000 -0.000) 0.000 3.098 ( -0.000 0.000 0.000) 0.000 3.139 ( 0.000 0.000 0.000) 0.000 3.164 ( 0.000 0.000 0.000) 0.000 3.206 ( 0.000 0.000 0.000) 0.000 3.213 ( 0.000 0.000 -0.000) 0.000 3.259 ( 0.000 0.000 0.000) 0.000 3.268 ( 0.000 0.000 0.000) 0.000 3.309 ( 0.000 0.000 -0.000) 0.000 3.354 ( 0.000 0.000 0.000) 0.000 3.411 ( 0.000 0.000 -0.000) 0.000 3.439 ( -0.000 0.000 -0.000) 0.000 3.459 ( 0.000 0.000 0.000) 0.000 3.462 ( -0.000 0.000 -0.000) 0.000 3.471 ( 0.000 0.000 0.000) 0.000 3.555 ( 0.000 0.000 0.000) 0.000 3.639 ( 0.000 0.000 0.000) 0.000 3.660 ( 0.000 0.000 0.000) 0.000 3.716 ( -0.000 0.000 0.000) 0.000 3.727 ( 0.000 0.000 -0.000) 0.000 3.743 ( 0.000 0.000 -0.000) 0.000 3.758 ( 0.000 0.000 0.000) 0.000 3.828 ( 0.000 0.000 0.000) 0.000 3.882 ( 0.000 0.000 -0.000) 0.000 3.908 ( -0.000 0.000 0.000) 0.000 3.964 ( 0.000 0.000 -0.000) 0.000 4.037 ( -0.000 0.000 -0.000) 0.000 4.080 ( 0.000 0.000 0.000) 0.000 4.089 ( 0.000 0.000 -0.000) 0.000 4.126 ( 0.000 0.000 -0.000) 0.000 4.134 ( 0.000 0.000 -0.000) 0.000 4.165 ( 0.000 0.000 0.000) 0.000 4.249 ( 0.000 0.000 0.000) 0.000 4.318 ( 0.000 0.000 -0.000) 0.000 4.416 ( 0.000 0.000 0.000) 0.000 4.429 ( -0.000 0.000 -0.000) 0.000 4.450 ( 0.000 0.000 -0.000) 0.000 4.499 ( 0.000 0.000 -0.000) 0.000 4.552 ( 0.000 0.000 -0.000) 0.000 4.555 ( 0.000 0.000 0.000) 0.000 4.670 ( 0.000 0.000 0.000) 0.000 4.670 ( 0.000 0.000 0.000) 0.000 4.679 ( -0.000 0.000 -0.000) 0.000 4.709 ( 0.000 0.000 -0.000) 0.000 4.813 ( 0.000 0.000 0.000) 0.000 4.835 ( 0.000 0.000 0.000) 0.000 4.916 ( 0.000 0.000 -0.000) 0.000 4.960 ( 0.000 0.000 -0.000) 0.000 4.964 ( 0.000 0.000 0.000) 0.000 5.095 ( -0.000 0.000 -0.000) 0.000 5.143 ( 0.000 0.000 0.000) 0.000 5.159 ( 0.000 0.000 0.000) 0.000 5.172 ( -0.000 0.000 -0.000) 0.000 5.233 ( 0.000 0.000 -0.000) 0.000 5.276 ( -0.000 0.000 -0.000) 0.000 5.384 ( 0.000 0.000 0.000) 0.000 5.384 ( 0.000 0.000 0.000) 0.000 5.452 ( 0.000 0.000 0.000) 0.000 5.466 ( -0.000 0.000 -0.000) 0.000 5.546 ( 0.000 0.000 -0.000) 0.000 5.568 ( 0.000 0.000 0.000) 0.000 5.613 ( 0.000 0.000 0.000) 0.000 5.648 ( -0.000 0.000 0.000) 0.000 5.715 ( 0.000 0.000 -0.000) 0.000 5.761 ( 0.000 0.000 -0.000) 0.000 5.866 ( 0.000 0.000 -0.000) 0.000 5.869 ( 0.000 0.000 0.000) 0.000 5.902 ( 0.000 0.000 0.000) 0.000 5.908 ( 0.000 0.000 0.000) 0.000 5.956 ( -0.000 0.000 0.000) 0.000 5.977 ( -0.000 0.000 -0.000) 0.000 5.984 ( 0.000 0.000 0.000) 0.000 6.112 ( 0.000 0.000 -0.000) 0.000 6.144 ( 0.000 0.000 0.000) 0.000 6.168 ( 0.000 0.000 -0.000) 0.000 6.204 ( 0.000 0.000 0.000) 0.000 6.237 ( 0.000 0.000 0.000) 0.000 6.252 ( 0.000 0.000 -0.000) 0.000 6.332 ( 0.000 0.000 -0.000) 0.000 6.339 ( 0.000 0.000 0.000) 0.000 6.361 ( 0.000 0.000 -0.000) 0.000 6.410 ( 0.000 0.000 0.000) 0.000 6.451 ( 0.000 0.000 0.000) 0.000 6.514 ( 0.000 0.000 -0.000) 0.000 6.569 ( 0.000 0.000 -0.000) 0.000 6.577 ( 0.000 0.000 0.000) 0.000 6.597 ( 0.000 0.000 0.000) 0.000 6.647 ( 0.000 0.000 0.000) 0.000 6.669 ( -0.000 0.000 -0.000) 0.000 6.674 ( 0.000 0.000 0.000) 0.000 6.765 ( 0.000 0.000 -0.000) 0.000 6.804 ( 0.000 0.000 -0.000) 0.000 6.880 ( 0.000 0.000 -0.000) 0.000 6.897 ( 0.000 0.000 0.000) 0.000 6.901 ( 0.000 0.000 0.000) 0.000 6.947 ( 0.000 0.000 -0.000) 0.000 7.025 ( 0.000 0.000 -0.000) 0.000 7.040 ( -0.000 0.000 0.000) 0.000 7.068 ( -0.000 0.000 -0.000) 0.000 7.107 ( 0.000 0.000 0.000) 0.000 7.109 ( 0.000 0.000 -0.000) 0.000 7.137 ( 0.000 0.000 0.000) 0.000 7.137 ( -0.000 0.000 0.000) 0.000 7.176 ( 0.000 0.000 0.000) 0.000 7.224 ( 0.000 0.000 0.000) 0.000 7.259 ( -0.000 0.000 0.000) 0.000 7.281 ( 0.000 0.000 0.000) 0.000 7.318 ( 0.000 0.000 0.000) 0.000 7.425 ( 0.000 0.000 0.000) 0.000 7.437 ( 0.000 0.000 0.000) 0.000 7.493 ( 0.000 0.000 -0.000) 0.000 7.498 ( -0.000 0.000 0.000) 0.000 7.500 ( 0.000 0.000 -0.000) 0.000 7.526 ( 0.000 0.000 0.000) 0.000 7.600 ( -0.000 0.000 -0.000) 0.000 7.634 ( 0.000 0.000 0.000) 0.000 7.666 ( 0.000 0.000 0.000) 0.000 7.694 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 5 (4/35) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.322 ( 0.000 17.497 0.000) 17.497 0.404 ( 0.000 20.826 0.000) 20.826 0.731 ( 0.000 36.586 0.000) 36.586 1.011 ( 0.000 12.752 0.000) 12.752 1.113 ( 0.000 6.615 0.000) 6.615 1.257 ( 0.000 5.275 0.000) 5.275 1.378 ( 0.000 3.638 0.000) 3.638 1.488 ( 0.000 -1.308 0.000) 1.308 1.537 ( 0.000 -4.926 0.000) 4.926 1.556 ( 0.000 3.228 0.000) 3.228 1.570 ( 0.000 3.514 0.000) 3.514 1.596 ( 0.000 1.643 0.000) 1.643 1.627 ( 0.000 -0.944 0.000) 0.944 1.698 ( 0.000 2.790 0.000) 2.790 1.735 ( 0.000 0.837 0.000) 0.837 1.787 ( 0.000 -2.654 0.000) 2.654 1.849 ( 0.000 -1.801 0.000) 1.801 1.858 ( 0.000 0.758 0.000) 0.758 1.924 ( 0.000 3.103 0.000) 3.103 1.998 ( 0.000 -6.140 0.000) 6.140 2.060 ( 0.000 1.709 0.000) 1.709 2.119 ( 0.000 2.068 0.000) 2.068 2.126 ( 0.000 0.225 0.000) 0.225 2.203 ( 0.000 -4.226 0.000) 4.226 2.217 ( 0.000 -0.775 0.000) 0.775 2.246 ( 0.000 3.483 0.000) 3.483 2.289 ( 0.000 -2.964 0.000) 2.964 2.321 ( 0.000 4.131 0.000) 4.131 2.323 ( 0.000 -0.386 0.000) 0.386 2.388 ( 0.000 4.438 0.000) 4.438 2.466 ( 0.000 0.975 0.000) 0.975 2.526 ( 0.000 -2.654 0.000) 2.654 2.598 ( 0.000 3.220 0.000) 3.220 2.609 ( 0.000 -0.960 0.000) 0.960 2.633 ( 0.000 -2.076 0.000) 2.076 2.677 ( 0.000 -2.743 0.000) 2.743 2.713 ( 0.000 0.226 0.000) 0.226 2.731 ( 0.000 -3.099 0.000) 3.099 2.754 ( 0.000 -2.344 0.000) 2.344 2.787 ( 0.000 0.866 0.000) 0.866 2.844 ( 0.000 -3.035 0.000) 3.035 2.848 ( 0.000 -2.227 0.000) 2.227 2.898 ( 0.000 -2.360 0.000) 2.360 2.915 ( 0.000 -1.870 0.000) 1.870 2.923 ( 0.000 1.455 0.000) 1.455 2.962 ( 0.000 -1.376 0.000) 1.376 2.982 ( 0.000 -6.755 0.000) 6.755 3.054 ( 0.000 -0.782 0.000) 0.782 3.059 ( 0.000 -2.574 0.000) 2.574 3.107 ( 0.000 2.866 0.000) 2.866 3.108 ( 0.000 -2.542 0.000) 2.542 3.133 ( 0.000 -0.455 0.000) 0.455 3.179 ( 0.000 1.202 0.000) 1.202 3.187 ( 0.000 0.229 0.000) 0.229 3.218 ( 0.000 0.241 0.000) 0.241 3.244 ( 0.000 0.598 0.000) 0.598 3.267 ( 0.000 -0.191 0.000) 0.191 3.297 ( 0.000 -0.928 0.000) 0.928 3.301 ( 0.000 -3.834 0.000) 3.834 3.346 ( 0.000 -0.442 0.000) 0.442 3.368 ( 0.000 3.158 0.000) 3.158 3.446 ( 0.000 4.827 0.000) 4.827 3.489 ( 0.000 -1.942 0.000) 1.942 3.514 ( 0.000 0.373 0.000) 0.373 3.561 ( 0.000 4.535 0.000) 4.535 3.592 ( 0.000 -2.948 0.000) 2.948 3.605 ( 0.000 -1.533 0.000) 1.533 3.642 ( 0.000 -3.204 0.000) 3.204 3.669 ( 0.000 0.244 0.000) 0.244 3.700 ( 0.000 -0.438 0.000) 0.438 3.715 ( 0.000 1.232 0.000) 1.232 3.774 ( 0.000 -1.579 0.000) 1.579 3.863 ( 0.000 -2.147 0.000) 2.147 3.914 ( 0.000 1.205 0.000) 1.205 3.931 ( 0.000 3.457 0.000) 3.457 3.998 ( 0.000 -1.522 0.000) 1.522 4.009 ( 0.000 -0.687 0.000) 0.687 4.045 ( 0.000 -3.744 0.000) 3.744 4.103 ( 0.000 -5.501 0.000) 5.501 4.175 ( 0.000 -1.170 0.000) 1.170 4.202 ( 0.000 -0.670 0.000) 0.670 4.215 ( 0.000 5.071 0.000) 5.071 4.228 ( 0.000 -1.104 0.000) 1.104 4.301 ( 0.000 -1.456 0.000) 1.456 4.326 ( 0.000 -0.091 0.000) 0.091 4.353 ( 0.000 0.579 0.000) 0.579 4.376 ( 0.000 0.592 0.000) 0.592 4.428 ( 0.000 -1.489 0.000) 1.489 4.488 ( 0.000 -1.372 0.000) 1.372 4.564 ( 0.000 0.210 0.000) 0.210 4.572 ( 0.000 1.812 0.000) 1.812 4.767 ( 0.000 2.412 0.000) 2.412 4.771 ( 0.000 -1.004 0.000) 1.004 4.788 ( 0.000 -1.870 0.000) 1.870 4.824 ( 0.000 4.614 0.000) 4.614 4.862 ( 0.000 0.130 0.000) 0.130 4.870 ( 0.000 -0.040 0.000) 0.040 4.977 ( 0.000 -1.556 0.000) 1.556 5.001 ( 0.000 -1.281 0.000) 1.281 5.015 ( 0.000 0.459 0.000) 0.459 5.063 ( 0.000 0.155 0.000) 0.155 5.143 ( 0.000 0.762 0.000) 0.762 5.163 ( 0.000 -0.283 0.000) 0.283 5.170 ( 0.000 -1.327 0.000) 1.327 5.272 ( 0.000 -3.052 0.000) 3.052 5.316 ( 0.000 2.606 0.000) 2.606 5.332 ( 0.000 -0.609 0.000) 0.609 5.432 ( 0.000 0.328 0.000) 0.328 5.461 ( 0.000 -0.639 0.000) 0.639 5.521 ( 0.000 -2.398 0.000) 2.398 5.544 ( 0.000 0.015 0.000) 0.015 5.571 ( 0.000 -3.760 0.000) 3.760 5.635 ( 0.000 -3.526 0.000) 3.526 5.675 ( 0.000 0.002 0.000) 0.002 5.750 ( 0.000 -1.539 0.000) 1.539 5.754 ( 0.000 1.462 0.000) 1.462 5.763 ( 0.000 -1.235 0.000) 1.235 5.852 ( 0.000 -0.487 0.000) 0.487 5.917 ( 0.000 0.322 0.000) 0.322 5.980 ( 0.000 -0.622 0.000) 0.622 6.046 ( 0.000 -2.320 0.000) 2.320 6.054 ( 0.000 1.343 0.000) 1.343 6.124 ( 0.000 0.878 0.000) 0.878 6.175 ( 0.000 0.988 0.000) 0.988 6.198 ( 0.000 -0.740 0.000) 0.740 6.256 ( 0.000 0.349 0.000) 0.349 6.261 ( 0.000 0.620 0.000) 0.620 6.268 ( 0.000 -0.062 0.000) 0.062 6.367 ( 0.000 1.926 0.000) 1.926 6.379 ( 0.000 0.135 0.000) 0.135 6.411 ( 0.000 2.224 0.000) 2.224 6.448 ( 0.000 0.188 0.000) 0.188 6.468 ( 0.000 0.659 0.000) 0.659 6.507 ( 0.000 0.404 0.000) 0.404 6.545 ( 0.000 0.691 0.000) 0.691 6.573 ( 0.000 -0.286 0.000) 0.286 6.608 ( 0.000 1.051 0.000) 1.051 6.646 ( 0.000 0.459 0.000) 0.459 6.665 ( 0.000 1.072 0.000) 1.072 6.693 ( 0.000 0.715 0.000) 0.715 6.731 ( 0.000 0.451 0.000) 0.451 6.756 ( 0.000 -2.082 0.000) 2.082 6.779 ( 0.000 -1.306 0.000) 1.306 6.788 ( 0.000 1.150 0.000) 1.150 6.913 ( 0.000 1.367 0.000) 1.367 6.918 ( 0.000 0.190 0.000) 0.190 7.000 ( 0.000 1.340 0.000) 1.340 7.039 ( 0.000 1.887 0.000) 1.887 7.055 ( 0.000 0.430 0.000) 0.430 7.106 ( 0.000 -0.478 0.000) 0.478 7.115 ( 0.000 0.886 0.000) 0.886 7.133 ( 0.000 1.229 0.000) 1.229 7.144 ( 0.000 1.411 0.000) 1.411 7.175 ( 0.000 1.500 0.000) 1.500 7.192 ( 0.000 1.585 0.000) 1.585 7.285 ( 0.000 -0.576 0.000) 0.576 7.286 ( 0.000 1.872 0.000) 1.872 7.308 ( 0.000 3.054 0.000) 3.054 7.425 ( 0.000 -0.173 0.000) 0.173 7.468 ( 0.000 -1.647 0.000) 1.647 7.472 ( 0.000 -0.989 0.000) 0.989 7.494 ( 0.000 -0.034 0.000) 0.034 7.523 ( 0.000 1.081 0.000) 1.081 7.543 ( 0.000 -0.223 0.000) 0.223 7.625 ( 0.000 -1.227 0.000) 1.227 7.654 ( 0.000 -0.660 0.000) 0.660 7.673 ( 0.000 -1.352 0.000) 1.352 7.819 ( 0.000 -1.647 0.000) 1.647 ======================= Grid point 6 (5/35) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.492 ( 14.843 12.102 2.962) 19.379 0.653 ( 16.111 16.767 -1.215) 23.285 0.972 ( 22.462 20.806 0.883) 30.630 1.086 ( 7.496 9.758 -1.793) 12.434 1.148 ( -4.114 8.526 0.847) 9.505 1.199 ( -1.288 3.738 0.628) 4.004 1.224 ( -15.899 5.194 -1.384) 16.783 1.359 ( -1.052 1.451 6.696) 6.932 1.421 ( -4.410 -2.944 -3.944) 6.608 1.519 ( -10.135 1.276 -3.097) 10.674 1.537 ( 0.673 3.183 0.080) 3.254 1.591 ( -2.147 -0.255 0.248) 2.176 1.692 ( 2.165 0.720 1.177) 2.567 1.742 ( -3.905 4.227 -1.133) 5.865 1.806 ( 8.522 3.079 0.305) 9.067 1.847 ( 3.943 0.004 -4.251) 5.798 1.865 ( 3.390 1.306 1.207) 3.828 1.910 ( 3.285 0.406 -0.033) 3.310 1.975 ( 5.396 -1.194 0.322) 5.536 1.985 ( -1.871 -1.306 -0.690) 2.384 2.081 ( 0.776 1.291 1.685) 2.260 2.094 ( 1.555 -2.667 -1.531) 3.446 2.166 ( -1.643 -1.093 1.186) 2.302 2.179 ( -0.927 0.212 1.634) 1.890 2.220 ( -0.816 0.593 1.974) 2.216 2.248 ( -0.099 1.085 -1.245) 1.654 2.276 ( 2.183 -1.268 -0.675) 2.613 2.325 ( 0.764 1.468 0.499) 1.729 2.342 ( 2.410 2.328 -1.098) 3.526 2.357 ( -2.608 1.928 0.798) 3.340 2.437 ( -1.777 2.455 0.741) 3.120 2.458 ( -3.582 0.748 1.153) 3.837 2.559 ( -5.479 -2.243 -0.643) 5.955 2.581 ( -5.969 -1.211 0.685) 6.129 2.616 ( -5.050 1.498 -1.640) 5.517 2.673 ( 0.418 -3.296 1.470) 3.633 2.694 ( -3.648 -3.796 -0.535) 5.291 2.726 ( 2.589 -1.248 -0.011) 2.875 2.753 ( 3.333 -2.408 -2.071) 4.604 2.814 ( 2.131 -0.464 -0.171) 2.188 2.845 ( 1.788 -1.677 0.730) 2.558 2.865 ( 1.741 -0.878 0.099) 1.952 2.874 ( -1.462 -0.294 0.422) 1.550 2.889 ( -1.411 -1.068 0.980) 2.023 2.935 ( 0.552 -0.862 -2.005) 2.252 2.967 ( -1.490 -6.022 3.074) 6.924 3.003 ( -0.631 1.162 0.649) 1.473 3.012 ( -0.606 1.248 -0.774) 1.588 3.047 ( -3.514 -4.355 -0.356) 5.607 3.062 ( 1.005 0.903 -0.745) 1.543 3.079 ( -0.482 -1.199 -0.861) 1.552 3.111 ( -3.317 1.501 2.844) 4.620 3.142 ( 0.369 -1.666 -0.752) 1.865 3.152 ( -3.343 0.004 -2.377) 4.102 3.195 ( -0.910 0.512 -0.412) 1.123 3.223 ( -1.965 -1.029 0.259) 2.233 3.285 ( -0.155 -2.620 0.762) 2.733 3.318 ( -0.132 1.378 0.184) 1.396 3.339 ( 2.781 0.890 -1.608) 3.334 3.358 ( 2.365 0.705 0.600) 2.540 3.405 ( -3.955 1.634 2.209) 4.816 3.426 ( 2.502 1.288 -1.269) 3.087 3.465 ( 0.408 0.891 -1.700) 1.962 3.509 ( -2.673 -2.253 -0.371) 3.515 3.519 ( -3.083 2.233 2.821) 4.738 3.554 ( -2.778 0.170 -2.613) 3.818 3.612 ( 0.158 -3.245 3.622) 4.865 3.649 ( -1.242 -0.243 -0.429) 1.336 3.667 ( 2.791 -1.293 -0.072) 3.077 3.687 ( 1.180 -1.401 0.757) 1.982 3.743 ( -1.134 -0.433 -1.459) 1.898 3.789 ( 1.994 1.772 -0.215) 2.676 3.859 ( -0.105 -1.743 0.257) 1.765 3.894 ( -3.828 0.534 -0.189) 3.870 3.930 ( 1.483 0.303 -1.433) 2.085 3.963 ( -0.638 2.803 1.383) 3.190 4.018 ( 0.908 -1.954 0.314) 2.177 4.054 ( -0.462 -2.541 0.862) 2.723 4.111 ( -0.023 -1.131 -0.871) 1.428 4.126 ( -2.232 -1.612 -1.225) 3.014 4.150 ( -1.596 -1.635 0.135) 2.289 4.217 ( -2.861 0.657 0.084) 2.937 4.238 ( -0.536 0.706 0.858) 1.233 4.285 ( -0.458 -1.867 -1.339) 2.343 4.364 ( 1.868 -0.332 3.797) 4.245 4.404 ( 1.224 -0.092 0.592) 1.363 4.444 ( 6.073 -0.524 0.734) 6.140 4.468 ( 2.833 -1.681 0.187) 3.299 4.511 ( 3.421 -0.002 2.249) 4.094 4.551 ( 3.534 2.193 -3.135) 5.209 4.601 ( -8.054 -2.044 -6.382) 10.478 4.626 ( 0.715 -0.715 1.270) 1.623 4.752 ( -1.627 2.048 -4.950) 5.598 4.797 ( -1.073 -1.009 -1.726) 2.269 4.813 ( -0.245 3.726 -0.405) 3.756 4.866 ( -0.164 1.371 -0.163) 1.390 4.936 ( 1.867 -1.329 2.718) 3.555 4.962 ( -0.905 -0.593 -0.146) 1.092 4.975 ( -4.777 -0.339 3.001) 5.651 5.039 ( 2.914 -1.532 2.183) 3.951 5.107 ( 0.909 0.134 0.379) 0.994 5.137 ( 1.136 -2.477 -1.857) 3.298 5.164 ( 1.762 0.051 2.434) 3.005 5.222 ( 3.022 0.538 -2.242) 3.801 5.288 ( 3.659 -1.146 0.546) 3.873 5.340 ( -2.054 0.969 1.533) 2.740 5.347 ( 2.269 1.768 -1.567) 3.275 5.398 ( 2.291 -1.730 1.291) 3.147 5.492 ( -1.061 -0.872 0.678) 1.531 5.534 ( 0.262 -1.088 -2.407) 2.654 5.572 ( -0.166 -1.530 -0.132) 1.545 5.617 ( 0.228 -2.207 0.123) 2.222 5.640 ( 6.382 -3.347 -2.218) 7.539 5.674 ( -0.932 -0.451 2.860) 3.042 5.746 ( -0.562 -1.010 0.025) 1.156 5.762 ( 1.623 -0.347 -0.091) 1.662 5.782 ( 2.936 -0.677 1.597) 3.410 5.868 ( 1.343 -0.483 2.028) 2.480 5.918 ( -0.275 -0.262 -0.968) 1.040 5.968 ( -1.031 -1.660 -1.821) 2.671 6.016 ( -3.685 -0.949 -0.574) 3.848 6.026 ( -2.237 -0.569 -0.890) 2.474 6.137 ( 1.443 0.797 0.050) 1.650 6.162 ( -3.234 -1.039 0.998) 3.540 6.184 ( -0.383 1.713 0.316) 1.784 6.246 ( -0.405 1.709 0.323) 1.785 6.262 ( -0.268 -0.073 -0.271) 0.388 6.266 ( 0.808 1.446 -0.225) 1.671 6.351 ( -1.548 1.109 0.298) 1.928 6.375 ( -0.283 1.159 -1.132) 1.645 6.396 ( -1.737 2.871 -0.849) 3.461 6.411 ( -1.489 0.221 0.917) 1.762 6.476 ( -1.032 -0.004 0.804) 1.308 6.519 ( 0.571 0.212 -0.712) 0.937 6.543 ( 0.416 -0.037 0.259) 0.491 6.575 ( 0.809 0.653 0.438) 1.128 6.605 ( 0.068 1.274 0.369) 1.328 6.651 ( -0.091 0.182 -0.243) 0.316 6.670 ( 0.452 1.065 -0.016) 1.157 6.691 ( -0.300 0.812 -0.359) 0.937 6.733 ( 1.004 -0.985 -0.621) 1.537 6.771 ( 0.560 -1.905 0.029) 1.985 6.807 ( 1.130 -2.141 0.491) 2.470 6.862 ( 4.172 -3.893 0.129) 5.708 6.915 ( 0.307 1.750 -0.326) 1.807 6.939 ( 1.113 -0.714 -0.461) 1.400 7.007 ( 0.599 1.450 0.306) 1.598 7.060 ( 1.677 0.372 -0.293) 1.742 7.067 ( 0.862 0.031 -0.015) 0.863 7.090 ( -1.631 2.442 0.198) 2.943 7.112 ( 0.392 -1.794 0.287) 1.859 7.118 ( -0.812 1.214 0.364) 1.505 7.169 ( 1.678 1.074 -0.191) 2.002 7.184 ( 0.600 1.393 0.114) 1.521 7.195 ( 0.028 0.530 -0.387) 0.657 7.271 ( -0.851 -0.051 0.236) 0.884 7.309 ( 0.860 2.324 -0.271) 2.492 7.328 ( 2.874 3.098 0.804) 4.302 7.421 ( -0.374 -0.936 -0.145) 1.019 7.459 ( -0.947 -0.463 -1.041) 1.481 7.475 ( 0.096 -0.660 -0.376) 0.765 7.487 ( -0.555 -1.032 1.493) 1.897 7.504 ( -0.991 0.665 -0.549) 1.313 7.539 ( -0.251 1.329 0.291) 1.383 7.591 ( -3.067 -2.277 -0.197) 3.824 7.656 ( 0.124 -0.428 0.070) 0.451 7.673 ( -0.053 -0.159 -0.063) 0.179 7.750 ( -3.777 2.120 1.062) 4.460 ======================= Grid point 7 (6/35) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( 0.000 9.129 0.000) 9.129 0.884 ( -0.000 7.205 0.000) 7.205 0.922 ( 0.000 12.104 -0.000) 12.104 0.965 ( -0.000 12.314 -0.000) 12.314 1.228 ( 0.000 0.033 -0.000) 0.033 1.250 ( 0.000 2.299 0.000) 2.299 1.283 ( -0.000 5.004 -0.000) 5.004 1.312 ( 0.000 2.080 0.000) 2.080 1.423 ( 0.000 5.528 0.000) 5.528 1.499 ( 0.000 2.203 -0.000) 2.203 1.500 ( -0.000 -0.309 0.000) 0.309 1.549 ( -0.000 5.832 0.000) 5.832 1.670 ( -0.000 6.273 0.000) 6.273 1.684 ( 0.000 4.778 -0.000) 4.778 1.731 ( 0.000 4.050 0.000) 4.050 1.907 ( 0.000 1.558 0.000) 1.558 1.936 ( 0.000 6.775 0.000) 6.775 1.953 ( 0.000 2.009 -0.000) 2.009 2.006 ( 0.000 -1.767 0.000) 1.767 2.071 ( 0.000 -7.052 0.000) 7.052 2.090 ( 0.000 -3.220 -0.000) 3.220 2.115 ( 0.000 -3.125 0.000) 3.125 2.137 ( 0.000 -1.229 -0.000) 1.229 2.187 ( -0.000 3.048 0.000) 3.048 2.218 ( 0.000 -0.287 0.000) 0.287 2.273 ( 0.000 2.269 -0.000) 2.269 2.293 ( 0.000 1.783 -0.000) 1.783 2.301 ( 0.000 -1.255 0.000) 1.255 2.333 ( 0.000 1.649 -0.000) 1.649 2.341 ( 0.000 0.773 0.000) 0.773 2.393 ( 0.000 4.403 -0.000) 4.403 2.436 ( 0.000 1.116 -0.000) 1.116 2.481 ( -0.000 1.697 0.000) 1.697 2.531 ( 0.000 -1.490 -0.000) 1.490 2.549 ( 0.000 -2.619 0.000) 2.619 2.648 ( 0.000 -7.177 -0.000) 7.177 2.690 ( -0.000 -5.940 -0.000) 5.940 2.742 ( 0.000 0.081 0.000) 0.081 2.806 ( 0.000 -0.461 -0.000) 0.461 2.808 ( 0.000 -2.819 -0.000) 2.819 2.842 ( -0.000 0.054 -0.000) 0.054 2.858 ( 0.000 -1.427 -0.000) 1.427 2.878 ( 0.000 2.086 0.000) 2.086 2.927 ( 0.000 -7.690 -0.000) 7.690 2.941 ( 0.000 0.931 0.000) 0.931 2.961 ( 0.000 -2.779 0.000) 2.779 3.003 ( -0.000 -5.127 -0.000) 5.127 3.005 ( 0.000 1.653 0.000) 1.653 3.022 ( 0.000 1.981 -0.000) 1.981 3.064 ( 0.000 -0.377 -0.000) 0.377 3.076 ( 0.000 -0.477 0.000) 0.477 3.091 ( 0.000 -2.217 0.000) 2.217 3.091 ( -0.000 3.759 -0.000) 3.759 3.140 ( -0.000 -1.851 0.000) 1.851 3.169 ( 0.000 -0.755 -0.000) 0.755 3.222 ( 0.000 -1.949 0.000) 1.949 3.287 ( 0.000 -2.067 0.000) 2.067 3.316 ( 0.000 2.094 -0.000) 2.094 3.348 ( 0.000 3.167 0.000) 3.167 3.378 ( 0.000 0.341 -0.000) 0.341 3.380 ( -0.000 3.219 0.000) 3.219 3.418 ( 0.000 -1.465 -0.000) 1.465 3.448 ( 0.000 -0.493 0.000) 0.493 3.486 ( 0.000 -1.409 -0.000) 1.409 3.521 ( -0.000 -0.819 -0.000) 0.819 3.525 ( 0.000 3.782 0.000) 3.782 3.615 ( 0.000 -2.370 0.000) 2.370 3.658 ( -0.000 -1.359 0.000) 1.359 3.674 ( 0.000 -3.561 -0.000) 3.561 3.713 ( 0.000 0.986 0.000) 0.986 3.719 ( -0.000 -2.335 -0.000) 2.335 3.806 ( 0.000 3.424 -0.000) 3.424 3.843 ( 0.000 1.151 0.000) 1.151 3.872 ( 0.000 -1.226 0.000) 1.226 3.936 ( 0.000 2.798 0.000) 2.798 3.959 ( 0.000 -0.582 -0.000) 0.582 4.038 ( -0.000 -3.433 0.000) 3.433 4.041 ( 0.000 0.544 -0.000) 0.544 4.107 ( -0.000 -2.851 -0.000) 2.851 4.109 ( 0.000 1.030 -0.000) 1.030 4.152 ( 0.000 -1.911 0.000) 1.911 4.163 ( 0.000 2.574 0.000) 2.574 4.221 ( 0.000 -1.756 0.000) 1.756 4.287 ( 0.000 -2.651 -0.000) 2.651 4.397 ( 0.000 -1.179 0.000) 1.179 4.408 ( 0.000 0.116 -0.000) 0.116 4.465 ( -0.000 -0.320 -0.000) 0.320 4.484 ( 0.000 -1.284 -0.000) 1.284 4.539 ( 0.000 -0.372 -0.000) 0.372 4.570 ( 0.000 0.074 -0.000) 0.074 4.634 ( 0.000 -2.784 0.000) 2.784 4.686 ( 0.000 2.024 0.000) 2.024 4.688 ( -0.000 -0.670 -0.000) 0.670 4.732 ( -0.000 3.240 0.000) 3.240 4.829 ( 0.000 1.335 0.000) 1.335 4.875 ( 0.000 3.280 0.000) 3.280 4.907 ( 0.000 -0.778 -0.000) 0.778 4.943 ( 0.000 -2.003 0.000) 2.003 4.974 ( 0.000 0.592 -0.000) 0.592 5.077 ( -0.000 -2.332 -0.000) 2.332 5.105 ( 0.000 -2.642 0.000) 2.642 5.111 ( -0.000 -1.469 -0.000) 1.469 5.222 ( 0.000 2.060 -0.000) 2.060 5.268 ( 0.000 2.154 0.000) 2.154 5.281 ( -0.000 0.427 -0.000) 0.427 5.344 ( 0.000 -2.431 0.000) 2.431 5.414 ( 0.000 1.574 0.000) 1.574 5.416 ( -0.000 -2.745 -0.000) 2.745 5.469 ( 0.000 -0.071 0.000) 0.071 5.534 ( 0.000 -3.409 -0.000) 3.409 5.571 ( 0.000 2.093 -0.000) 2.093 5.596 ( 0.000 -0.850 0.000) 0.850 5.647 ( -0.000 -1.162 0.000) 1.162 5.701 ( 0.000 -1.340 0.000) 1.340 5.738 ( 0.000 -1.956 -0.000) 1.956 5.846 ( 0.000 -2.339 0.000) 2.339 5.855 ( 0.000 -1.386 -0.000) 1.386 5.879 ( 0.000 -1.469 0.000) 1.469 5.908 ( 0.000 0.058 0.000) 0.058 5.944 ( -0.000 -2.330 0.000) 2.330 5.950 ( -0.000 -0.292 -0.000) 0.292 5.996 ( 0.000 0.725 0.000) 0.725 6.082 ( 0.000 -2.185 -0.000) 2.185 6.163 ( 0.000 -0.944 -0.000) 0.944 6.198 ( 0.000 4.517 0.000) 4.517 6.240 ( 0.000 2.580 0.000) 2.580 6.262 ( 0.000 0.001 -0.000) 0.001 6.271 ( 0.000 2.381 0.000) 2.381 6.337 ( 0.000 0.364 -0.000) 0.364 6.368 ( 0.000 1.113 0.000) 1.113 6.371 ( 0.000 3.308 -0.000) 3.308 6.397 ( 0.000 -1.050 0.000) 1.050 6.461 ( 0.000 1.202 0.000) 1.202 6.521 ( 0.000 0.888 -0.000) 0.888 6.553 ( 0.000 -0.890 0.000) 0.890 6.589 ( -0.000 0.808 0.000) 0.808 6.604 ( 0.000 0.786 0.000) 0.786 6.649 ( 0.000 0.252 0.000) 0.252 6.678 ( 0.000 1.100 -0.000) 1.100 6.684 ( 0.000 0.913 0.000) 0.913 6.745 ( 0.000 -1.433 -0.000) 1.433 6.779 ( 0.000 -2.108 0.000) 2.108 6.816 ( 0.000 -3.665 0.000) 3.665 6.919 ( 0.000 1.868 0.000) 1.868 6.919 ( -0.000 -3.935 -0.000) 3.935 6.932 ( 0.000 1.421 0.000) 1.421 7.015 ( 0.000 1.316 -0.000) 1.316 7.067 ( 0.000 1.742 0.000) 1.742 7.076 ( 0.000 0.975 0.000) 0.975 7.080 ( -0.000 0.591 0.000) 0.591 7.108 ( 0.000 -0.608 -0.000) 0.608 7.121 ( 0.000 -1.605 0.000) 1.605 7.188 ( 0.000 -0.981 0.000) 0.981 7.189 ( -0.000 3.090 -0.000) 3.090 7.196 ( -0.000 1.291 -0.000) 1.291 7.260 ( 0.000 -0.148 0.000) 0.148 7.315 ( 0.000 3.077 0.000) 3.077 7.380 ( 0.000 3.904 0.000) 3.904 7.415 ( 0.000 -2.037 0.000) 2.037 7.440 ( 0.000 0.278 0.000) 0.278 7.470 ( 0.000 -0.493 0.000) 0.493 7.484 ( 0.000 -1.000 -0.000) 1.000 7.506 ( 0.000 -1.922 0.000) 1.922 7.531 ( 0.000 0.188 -0.000) 0.188 7.549 ( 0.000 -0.589 -0.000) 0.589 7.657 ( 0.000 -0.604 0.000) 0.604 7.673 ( 0.000 1.569 0.000) 1.569 7.714 ( 0.000 1.002 0.000) 1.002 ======================= Grid point 10 (7/35) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 35 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( 0.000 17.564 0.000) 17.564 0.773 ( 0.000 18.116 0.000) 18.116 1.126 ( 0.000 2.061 0.000) 2.061 1.247 ( 0.000 6.760 0.000) 6.760 1.303 ( 0.000 21.326 0.000) 21.326 1.396 ( 0.000 -1.680 0.000) 1.680 1.420 ( 0.000 11.334 0.000) 11.334 1.576 ( 0.000 5.254 0.000) 5.254 1.588 ( 0.000 6.234 0.000) 6.234 1.618 ( 0.000 1.689 0.000) 1.689 1.623 ( 0.000 6.426 0.000) 6.426 1.652 ( 0.000 4.107 0.000) 4.107 1.671 ( 0.000 5.848 0.000) 5.848 1.757 ( 0.000 3.480 0.000) 3.480 1.779 ( 0.000 4.939 0.000) 4.939 1.787 ( 0.000 3.636 0.000) 3.636 1.815 ( 0.000 -1.274 0.000) 1.274 1.868 ( 0.000 -0.106 0.000) 0.106 1.904 ( 0.000 -3.808 0.000) 3.808 1.980 ( 0.000 3.154 0.000) 3.154 2.090 ( 0.000 0.702 0.000) 0.702 2.112 ( 0.000 -1.233 0.000) 1.233 2.129 ( 0.000 -0.441 0.000) 0.441 2.175 ( 0.000 1.008 0.000) 1.008 2.185 ( 0.000 -3.778 0.000) 3.778 2.235 ( 0.000 -1.427 0.000) 1.427 2.244 ( 0.000 -0.858 0.000) 0.858 2.332 ( 0.000 -1.740 0.000) 1.740 2.335 ( 0.000 1.675 0.000) 1.675 2.391 ( 0.000 -3.299 0.000) 3.299 2.509 ( 0.000 0.534 0.000) 0.534 2.524 ( 0.000 0.034 0.000) 0.034 2.552 ( 0.000 0.886 0.000) 0.886 2.563 ( 0.000 -5.039 0.000) 5.039 2.643 ( 0.000 -0.078 0.000) 0.078 2.658 ( 0.000 -3.932 0.000) 3.932 2.660 ( 0.000 -0.050 0.000) 0.050 2.687 ( 0.000 -1.476 0.000) 1.476 2.740 ( 0.000 -7.350 0.000) 7.350 2.754 ( 0.000 -2.241 0.000) 2.241 2.792 ( 0.000 -0.967 0.000) 0.967 2.805 ( 0.000 -3.189 0.000) 3.189 2.848 ( 0.000 3.109 0.000) 3.109 2.884 ( 0.000 -6.321 0.000) 6.321 2.887 ( 0.000 -0.870 0.000) 0.870 2.940 ( 0.000 0.448 0.000) 0.448 2.959 ( 0.000 2.387 0.000) 2.387 3.011 ( 0.000 0.451 0.000) 0.451 3.044 ( 0.000 0.395 0.000) 0.395 3.082 ( 0.000 -0.056 0.000) 0.056 3.093 ( 0.000 -4.873 0.000) 4.873 3.177 ( 0.000 -0.815 0.000) 0.815 3.181 ( 0.000 1.463 0.000) 1.463 3.200 ( 0.000 0.261 0.000) 0.261 3.227 ( 0.000 0.138 0.000) 0.138 3.239 ( 0.000 -3.587 0.000) 3.587 3.253 ( 0.000 1.730 0.000) 1.730 3.279 ( 0.000 1.139 0.000) 1.139 3.314 ( 0.000 3.012 0.000) 3.012 3.328 ( 0.000 -0.374 0.000) 0.374 3.419 ( 0.000 0.635 0.000) 0.635 3.470 ( 0.000 -0.446 0.000) 0.446 3.472 ( 0.000 -1.681 0.000) 1.681 3.515 ( 0.000 0.518 0.000) 0.518 3.547 ( 0.000 -1.369 0.000) 1.369 3.572 ( 0.000 -2.116 0.000) 2.116 3.590 ( 0.000 -1.240 0.000) 1.240 3.654 ( 0.000 3.667 0.000) 3.667 3.676 ( 0.000 0.043 0.000) 0.043 3.679 ( 0.000 0.639 0.000) 0.639 3.729 ( 0.000 -3.718 0.000) 3.718 3.740 ( 0.000 0.818 0.000) 0.818 3.806 ( 0.000 -3.051 0.000) 3.051 3.933 ( 0.000 0.805 0.000) 0.805 3.940 ( 0.000 -3.359 0.000) 3.359 3.963 ( 0.000 -2.647 0.000) 2.647 3.979 ( 0.000 -1.916 0.000) 1.916 4.005 ( 0.000 -0.850 0.000) 0.850 4.027 ( 0.000 -0.510 0.000) 0.510 4.156 ( 0.000 -1.560 0.000) 1.560 4.179 ( 0.000 -1.311 0.000) 1.311 4.212 ( 0.000 -0.083 0.000) 0.083 4.271 ( 0.000 -1.410 0.000) 1.410 4.291 ( 0.000 1.561 0.000) 1.561 4.339 ( 0.000 1.646 0.000) 1.646 4.375 ( 0.000 -0.770 0.000) 0.770 4.381 ( 0.000 2.815 0.000) 2.815 4.430 ( 0.000 1.403 0.000) 1.403 4.432 ( 0.000 -3.800 0.000) 3.800 4.583 ( 0.000 1.448 0.000) 1.448 4.616 ( 0.000 3.754 0.000) 3.754 4.728 ( 0.000 -3.975 0.000) 3.975 4.744 ( 0.000 -1.266 0.000) 1.266 4.803 ( 0.000 0.969 0.000) 0.969 4.848 ( 0.000 -2.406 0.000) 2.406 4.860 ( 0.000 -1.260 0.000) 1.260 4.920 ( 0.000 4.227 0.000) 4.227 4.952 ( 0.000 0.395 0.000) 0.395 4.998 ( 0.000 0.748 0.000) 0.748 5.016 ( 0.000 -0.791 0.000) 0.791 5.073 ( 0.000 0.855 0.000) 0.855 5.150 ( 0.000 -1.648 0.000) 1.648 5.151 ( 0.000 -0.766 0.000) 0.766 5.173 ( 0.000 1.815 0.000) 1.815 5.182 ( 0.000 -4.718 0.000) 4.718 5.309 ( 0.000 -2.694 0.000) 2.694 5.341 ( 0.000 0.292 0.000) 0.292 5.416 ( 0.000 -3.901 0.000) 3.901 5.451 ( 0.000 0.538 0.000) 0.538 5.467 ( 0.000 -2.085 0.000) 2.085 5.496 ( 0.000 -3.855 0.000) 3.855 5.563 ( 0.000 1.809 0.000) 1.809 5.573 ( 0.000 -2.123 0.000) 2.123 5.671 ( 0.000 -0.289 0.000) 0.289 5.700 ( 0.000 -3.329 0.000) 3.329 5.742 ( 0.000 -1.290 0.000) 1.290 5.782 ( 0.000 1.337 0.000) 1.337 5.863 ( 0.000 1.256 0.000) 1.256 5.918 ( 0.000 -0.242 0.000) 0.242 5.962 ( 0.000 -1.011 0.000) 1.011 6.014 ( 0.000 -1.165 0.000) 1.165 6.050 ( 0.000 -1.478 0.000) 1.478 6.129 ( 0.000 -0.332 0.000) 0.332 6.171 ( 0.000 -1.110 0.000) 1.110 6.212 ( 0.000 1.280 0.000) 1.280 6.256 ( 0.000 -0.783 0.000) 0.783 6.264 ( 0.000 -0.726 0.000) 0.726 6.267 ( 0.000 0.254 0.000) 0.254 6.376 ( 0.000 -0.009 0.000) 0.009 6.380 ( 0.000 -0.061 0.000) 0.061 6.457 ( 0.000 1.827 0.000) 1.827 6.469 ( 0.000 2.312 0.000) 2.312 6.481 ( 0.000 0.678 0.000) 0.678 6.517 ( 0.000 0.547 0.000) 0.547 6.541 ( 0.000 -0.855 0.000) 0.855 6.566 ( 0.000 -0.804 0.000) 0.804 6.640 ( 0.000 2.272 0.000) 2.272 6.669 ( 0.000 1.733 0.000) 1.733 6.688 ( 0.000 1.249 0.000) 1.249 6.715 ( 0.000 1.257 0.000) 1.257 6.729 ( 0.000 -0.163 0.000) 0.163 6.744 ( 0.000 0.862 0.000) 0.862 6.776 ( 0.000 1.167 0.000) 1.167 6.810 ( 0.000 1.128 0.000) 1.128 6.942 ( 0.000 2.174 0.000) 2.174 6.956 ( 0.000 3.131 0.000) 3.131 7.028 ( 0.000 1.239 0.000) 1.239 7.073 ( 0.000 1.726 0.000) 1.726 7.077 ( 0.000 1.793 0.000) 1.793 7.088 ( 0.000 0.043 0.000) 0.043 7.147 ( 0.000 1.245 0.000) 1.245 7.152 ( 0.000 0.598 0.000) 0.598 7.153 ( 0.000 -0.090 0.000) 0.090 7.204 ( 0.000 1.311 0.000) 1.311 7.236 ( 0.000 1.888 0.000) 1.888 7.263 ( 0.000 -1.783 0.000) 1.783 7.325 ( 0.000 1.820 0.000) 1.820 7.361 ( 0.000 1.804 0.000) 1.804 7.412 ( 0.000 -1.902 0.000) 1.902 7.428 ( 0.000 -2.217 0.000) 2.217 7.450 ( 0.000 -0.639 0.000) 0.639 7.477 ( 0.000 -0.615 0.000) 0.615 7.543 ( 0.000 0.466 0.000) 0.466 7.562 ( 0.000 -1.440 0.000) 1.440 7.581 ( 0.000 0.593 0.000) 0.593 7.653 ( 0.000 0.922 0.000) 0.922 7.676 ( 0.000 1.328 0.000) 1.328 7.782 ( 0.000 -1.976 0.000) 1.976 ======================= Grid point 11 (8/35) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( 10.277 15.386 0.058) 18.502 0.951 ( 14.610 14.538 -0.315) 20.613 1.159 ( 3.176 1.770 -1.934) 4.118 1.281 ( -4.646 9.069 0.284) 10.194 1.320 ( 1.566 5.386 3.684) 6.711 1.370 ( -8.052 10.183 -0.864) 13.010 1.376 ( 0.154 3.851 0.982) 3.977 1.448 ( -0.552 15.441 -0.262) 15.453 1.477 ( -4.695 10.373 2.059) 11.571 1.584 ( -3.812 2.086 -1.997) 4.782 1.595 ( -3.992 4.944 -1.871) 6.624 1.643 ( 1.550 4.784 0.624) 5.067 1.725 ( 3.690 2.515 -0.012) 4.466 1.789 ( -0.449 0.021 -0.544) 0.705 1.818 ( 3.603 -2.069 -1.280) 4.347 1.856 ( 4.140 0.710 -1.349) 4.412 1.878 ( 5.802 3.762 1.312) 7.038 1.938 ( 3.549 -2.251 -0.764) 4.272 1.947 ( -0.393 1.335 -1.909) 2.362 2.013 ( 6.006 1.701 1.487) 6.417 2.044 ( -2.401 0.339 -2.126) 3.225 2.103 ( -2.044 -0.498 3.922) 4.451 2.125 ( -1.071 -1.813 1.734) 2.728 2.162 ( 3.490 0.428 -0.420) 3.541 2.211 ( 0.293 -1.888 -1.726) 2.574 2.258 ( 3.830 0.045 0.255) 3.838 2.278 ( 1.637 1.979 1.390) 2.921 2.329 ( -0.348 -0.193 -0.709) 0.813 2.366 ( 1.619 1.061 0.167) 1.942 2.396 ( -0.134 -1.285 0.556) 1.407 2.451 ( -4.103 -0.626 0.114) 4.152 2.488 ( -0.948 0.802 0.659) 1.406 2.523 ( -4.732 -3.292 -0.173) 5.767 2.547 ( -2.795 1.419 -1.506) 3.478 2.611 ( -1.357 -0.868 -0.123) 1.616 2.630 ( -4.414 -2.917 -0.737) 5.342 2.651 ( -2.180 -1.217 -1.520) 2.923 2.702 ( 0.501 0.539 0.903) 1.165 2.727 ( 0.458 0.493 -0.279) 0.729 2.759 ( 1.075 -6.928 0.933) 7.073 2.811 ( -0.402 -3.729 0.335) 3.766 2.823 ( 1.005 -3.199 1.282) 3.590 2.834 ( 0.085 -0.674 0.043) 0.680 2.861 ( 0.659 -2.443 0.804) 2.655 2.903 ( 0.260 2.287 1.432) 2.711 2.915 ( -0.689 -3.326 -0.011) 3.397 2.984 ( 0.156 1.048 0.277) 1.095 3.009 ( 0.083 -0.846 0.166) 0.866 3.029 ( -3.507 -0.359 0.182) 3.530 3.062 ( 1.115 -0.194 1.658) 2.007 3.084 ( -1.140 -0.157 -0.950) 1.493 3.126 ( -3.059 1.113 -0.943) 3.389 3.141 ( -3.668 -2.225 -1.439) 4.525 3.183 ( -1.190 3.642 -2.853) 4.777 3.189 ( 0.089 -1.454 -2.035) 2.503 3.221 ( -2.831 2.630 0.904) 3.969 3.242 ( -0.120 -1.140 1.168) 1.637 3.287 ( 1.132 -3.153 0.997) 3.495 3.336 ( 0.561 -1.786 -1.545) 2.427 3.381 ( 3.270 2.016 -1.002) 3.970 3.406 ( -1.629 -0.561 0.558) 1.811 3.450 ( -1.023 -2.783 0.847) 3.083 3.467 ( -3.046 1.136 0.164) 3.255 3.500 ( -1.716 -0.531 0.660) 1.913 3.524 ( -1.899 0.773 -0.942) 2.256 3.554 ( -0.399 -1.037 0.539) 1.235 3.593 ( -1.657 0.673 0.455) 1.845 3.625 ( 1.415 -0.521 2.271) 2.726 3.653 ( -0.829 -1.341 -0.949) 1.840 3.684 ( -0.305 0.298 -0.285) 0.513 3.722 ( -0.283 -0.168 -0.839) 0.901 3.807 ( 3.475 -0.079 0.259) 3.485 3.816 ( 2.352 -2.328 0.327) 3.325 3.895 ( -1.131 -0.745 1.094) 1.741 3.937 ( -1.593 1.028 -0.179) 1.904 3.969 ( 0.822 -3.593 -1.399) 3.943 3.986 ( -0.949 -2.332 1.096) 2.746 4.004 ( 2.795 -2.594 0.033) 3.813 4.046 ( -0.691 -1.631 0.812) 1.949 4.135 ( -1.994 0.138 2.528) 3.223 4.156 ( -2.264 2.239 -1.858) 3.687 4.182 ( -0.209 -2.391 -2.611) 3.547 4.245 ( -2.482 -0.861 0.723) 2.725 4.273 ( -1.898 0.273 0.932) 2.132 4.375 ( 0.509 0.265 5.303) 5.334 4.413 ( 1.301 -0.204 -1.946) 2.350 4.436 ( 0.913 -0.700 1.926) 2.244 4.464 ( 5.780 2.113 -1.951) 6.456 4.485 ( 7.753 -1.728 -1.580) 8.098 4.563 ( -7.427 -1.210 -7.300) 10.484 4.587 ( -0.239 1.348 2.370) 2.737 4.627 ( -0.508 1.853 0.583) 2.008 4.774 ( 2.085 -1.436 -1.297) 2.845 4.789 ( -1.860 1.239 -2.140) 3.094 4.861 ( 0.868 -2.030 -1.832) 2.869 4.884 ( -1.284 1.663 -2.367) 3.165 4.910 ( 0.712 0.303 3.997) 4.072 4.961 ( 0.059 -0.140 1.764) 1.770 4.969 ( -4.498 -0.162 2.035) 4.939 5.017 ( 0.597 -0.918 1.265) 1.673 5.079 ( -0.310 -2.736 -2.649) 3.821 5.117 ( -1.610 0.553 -1.799) 2.477 5.175 ( 4.979 0.195 5.688) 7.562 5.210 ( 3.066 -1.693 -2.402) 4.247 5.249 ( 2.616 -2.670 0.955) 3.858 5.332 ( 2.278 -1.568 1.396) 3.097 5.370 ( 3.321 -0.154 -0.013) 3.325 5.381 ( -1.605 1.165 -0.245) 1.998 5.449 ( -0.408 -3.212 1.997) 3.804 5.517 ( -0.041 -1.137 -2.743) 2.969 5.552 ( 2.395 -1.550 0.774) 2.956 5.574 ( 1.691 -1.288 -1.485) 2.592 5.585 ( 5.039 -1.614 -3.073) 6.119 5.667 ( -1.167 -0.383 1.473) 1.918 5.697 ( -0.153 -2.985 -0.082) 2.990 5.742 ( 0.931 -1.952 0.321) 2.186 5.791 ( 1.098 0.958 2.899) 3.245 5.874 ( 0.845 0.833 2.034) 2.354 5.911 ( -0.648 -0.368 -0.668) 1.000 5.942 ( -1.687 -0.856 -1.953) 2.719 5.996 ( -2.462 -0.960 -0.753) 2.748 6.017 ( -2.279 -0.754 -1.296) 2.728 6.109 ( -2.821 -1.954 0.603) 3.485 6.144 ( -2.054 -1.730 0.563) 2.744 6.224 ( 1.322 1.036 0.066) 1.680 6.251 ( -0.059 -0.734 -0.207) 0.765 6.273 ( 0.955 0.056 0.207) 0.979 6.281 ( 0.999 0.854 0.341) 1.358 6.357 ( -1.565 0.128 0.277) 1.594 6.377 ( -0.334 -0.366 -0.671) 0.835 6.443 ( -1.455 2.519 0.627) 2.976 6.455 ( -1.208 2.478 -1.295) 3.046 6.488 ( 0.395 1.114 0.926) 1.501 6.527 ( 1.095 0.605 0.204) 1.268 6.550 ( 0.423 0.323 -0.949) 1.088 6.582 ( 1.379 -0.186 0.476) 1.471 6.635 ( -0.436 1.926 0.007) 1.975 6.661 ( -0.300 0.972 -0.008) 1.017 6.694 ( 0.220 1.221 -0.240) 1.264 6.715 ( -0.093 1.474 -0.518) 1.565 6.727 ( 0.084 0.393 0.351) 0.534 6.739 ( 0.139 -0.327 0.822) 0.895 6.783 ( -0.206 -0.096 -0.287) 0.366 6.834 ( 2.118 -0.022 -0.413) 2.158 6.960 ( 0.312 3.080 -0.307) 3.111 6.962 ( 1.426 2.515 0.350) 2.912 7.039 ( 0.945 1.525 0.143) 1.800 7.062 ( -0.425 0.572 -0.315) 0.779 7.084 ( -0.128 -0.211 0.294) 0.384 7.095 ( 1.179 1.286 0.320) 1.773 7.129 ( -1.280 1.357 -0.514) 1.935 7.137 ( -1.279 0.784 0.169) 1.510 7.171 ( 1.246 -0.137 0.167) 1.265 7.218 ( 0.527 1.093 0.117) 1.219 7.226 ( -0.253 1.435 -0.513) 1.545 7.265 ( -0.033 -0.514 0.283) 0.588 7.334 ( 0.220 -0.228 0.415) 0.522 7.370 ( 2.308 0.484 0.379) 2.388 7.403 ( -1.697 -0.508 -0.748) 1.923 7.434 ( 0.707 -1.334 0.181) 1.520 7.459 ( 0.806 -0.736 0.047) 1.093 7.479 ( 0.294 0.767 0.014) 0.821 7.504 ( -2.906 -1.550 -0.476) 3.328 7.559 ( -1.878 -0.035 0.186) 1.888 7.582 ( 0.889 2.239 0.514) 2.463 7.649 ( -0.351 0.146 -0.569) 0.684 7.678 ( 0.345 0.938 -0.356) 1.061 7.753 ( -2.448 -0.903 0.642) 2.687 ======================= Grid point 12 (9/35) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 29 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( 0.000 12.192 0.000) 12.192 1.049 ( -0.000 10.225 0.000) 10.225 1.185 ( 0.000 5.189 0.000) 5.189 1.205 ( -0.000 13.769 -0.000) 13.769 1.255 ( -0.000 9.903 0.000) 9.903 1.274 ( 0.000 2.693 0.000) 2.693 1.425 ( 0.000 9.126 0.000) 9.126 1.472 ( 0.000 8.298 0.000) 8.298 1.498 ( -0.000 1.802 0.000) 1.802 1.527 ( 0.000 4.226 0.000) 4.226 1.534 ( 0.000 5.894 -0.000) 5.894 1.662 ( 0.000 4.894 -0.000) 4.894 1.778 ( 0.000 3.958 0.000) 3.958 1.803 ( -0.000 4.990 0.000) 4.990 1.826 ( 0.000 4.751 -0.000) 4.751 1.882 ( 0.000 -3.326 0.000) 3.326 1.932 ( -0.000 -4.484 0.000) 4.484 1.949 ( 0.000 -2.536 0.000) 2.536 1.958 ( 0.000 -3.218 -0.000) 3.218 2.037 ( 0.000 0.504 -0.000) 0.504 2.081 ( 0.000 -0.362 -0.000) 0.362 2.098 ( 0.000 3.129 -0.000) 3.129 2.129 ( 0.000 1.542 0.000) 1.542 2.197 ( 0.000 -0.626 0.000) 0.626 2.252 ( 0.000 -2.383 -0.000) 2.383 2.287 ( -0.000 4.400 -0.000) 4.400 2.294 ( 0.000 -0.332 0.000) 0.332 2.325 ( 0.000 -1.117 -0.000) 1.117 2.361 ( 0.000 2.001 0.000) 2.001 2.398 ( 0.000 2.833 -0.000) 2.833 2.433 ( 0.000 -0.273 0.000) 0.273 2.433 ( -0.000 4.118 -0.000) 4.118 2.503 ( 0.000 -2.007 0.000) 2.007 2.509 ( -0.000 2.291 -0.000) 2.291 2.524 ( 0.000 -2.635 -0.000) 2.635 2.570 ( -0.000 2.266 0.000) 2.266 2.624 ( 0.000 -0.440 0.000) 0.440 2.733 ( -0.000 -4.339 0.000) 4.339 2.749 ( 0.000 -6.667 0.000) 6.667 2.769 ( -0.000 -0.977 0.000) 0.977 2.790 ( 0.000 -4.767 -0.000) 4.767 2.812 ( 0.000 -0.934 -0.000) 0.934 2.852 ( -0.000 0.957 0.000) 0.957 2.881 ( 0.000 -4.801 -0.000) 4.801 2.895 ( 0.000 -3.460 -0.000) 3.460 2.916 ( 0.000 2.047 0.000) 2.047 2.957 ( -0.000 -0.664 0.000) 0.664 3.018 ( 0.000 -1.693 0.000) 1.693 3.043 ( 0.000 -0.624 -0.000) 0.624 3.061 ( -0.000 -4.991 0.000) 4.991 3.073 ( 0.000 0.282 0.000) 0.282 3.082 ( 0.000 1.098 -0.000) 1.098 3.106 ( 0.000 4.164 0.000) 4.164 3.163 ( 0.000 3.503 0.000) 3.503 3.186 ( 0.000 3.274 -0.000) 3.274 3.195 ( 0.000 -1.906 0.000) 1.906 3.252 ( 0.000 -0.711 0.000) 0.711 3.304 ( 0.000 -2.772 0.000) 2.772 3.341 ( 0.000 -3.140 0.000) 3.140 3.365 ( 0.000 -1.088 0.000) 1.088 3.401 ( 0.000 -0.653 -0.000) 0.653 3.429 ( -0.000 0.318 -0.000) 0.318 3.437 ( -0.000 -0.494 0.000) 0.494 3.462 ( 0.000 -2.216 0.000) 2.216 3.525 ( 0.000 2.048 -0.000) 2.048 3.561 ( 0.000 -2.285 0.000) 2.285 3.577 ( 0.000 1.248 -0.000) 1.248 3.635 ( 0.000 -0.488 0.000) 0.488 3.640 ( 0.000 -1.956 -0.000) 1.956 3.682 ( 0.000 0.330 -0.000) 0.330 3.739 ( 0.000 1.268 -0.000) 1.268 3.819 ( 0.000 -2.298 0.000) 2.298 3.864 ( -0.000 1.054 0.000) 1.054 3.880 ( 0.000 2.707 -0.000) 2.707 3.932 ( 0.000 -2.359 -0.000) 2.359 3.966 ( -0.000 -2.681 0.000) 2.681 3.993 ( 0.000 0.727 -0.000) 0.727 4.012 ( -0.000 -5.926 -0.000) 5.926 4.073 ( 0.000 -2.726 -0.000) 2.726 4.077 ( -0.000 1.417 0.000) 1.417 4.151 ( 0.000 2.055 -0.000) 2.055 4.173 ( 0.000 -1.692 -0.000) 1.692 4.211 ( 0.000 -0.017 -0.000) 0.017 4.244 ( 0.000 -1.469 0.000) 1.469 4.384 ( 0.000 -1.599 0.000) 1.599 4.429 ( 0.000 0.741 -0.000) 0.741 4.443 ( -0.000 -0.816 -0.000) 0.816 4.470 ( 0.000 0.157 0.000) 0.157 4.535 ( 0.000 0.680 0.000) 0.680 4.575 ( -0.000 1.206 0.000) 1.206 4.577 ( 0.000 -3.272 -0.000) 3.272 4.673 ( 0.000 -0.185 -0.000) 0.185 4.740 ( -0.000 2.847 0.000) 2.847 4.791 ( -0.000 2.386 0.000) 2.386 4.857 ( 0.000 1.589 0.000) 1.589 4.887 ( 0.000 -1.290 0.000) 1.290 4.901 ( 0.000 -1.632 0.000) 1.632 4.927 ( 0.000 1.008 0.000) 1.008 4.964 ( 0.000 -1.364 -0.000) 1.364 5.012 ( -0.000 -4.260 -0.000) 4.260 5.075 ( 0.000 -0.002 0.000) 0.002 5.103 ( -0.000 0.022 -0.000) 0.022 5.229 ( -0.000 -1.421 -0.000) 1.421 5.244 ( 0.000 -4.652 0.000) 4.652 5.292 ( 0.000 0.355 0.000) 0.355 5.340 ( -0.000 1.674 0.000) 1.674 5.370 ( 0.000 -1.377 -0.000) 1.377 5.428 ( 0.000 -1.250 0.000) 1.250 5.468 ( 0.000 -0.064 0.000) 0.064 5.478 ( -0.000 -0.785 -0.000) 0.785 5.573 ( 0.000 -2.399 0.000) 2.399 5.600 ( 0.000 0.573 -0.000) 0.573 5.615 ( -0.000 -0.888 0.000) 0.888 5.676 ( 0.000 -1.120 0.000) 1.120 5.694 ( 0.000 -2.771 -0.000) 2.771 5.781 ( 0.000 -4.252 -0.000) 4.252 5.822 ( 0.000 -1.665 0.000) 1.665 5.868 ( 0.000 0.204 0.000) 0.204 5.912 ( 0.000 0.433 0.000) 0.433 5.915 ( -0.000 -0.714 -0.000) 0.714 5.948 ( -0.000 0.066 -0.000) 0.066 6.004 ( 0.000 0.135 -0.000) 0.135 6.043 ( 0.000 -1.831 0.000) 1.831 6.129 ( 0.000 -2.567 -0.000) 2.567 6.249 ( -0.000 -0.807 0.000) 0.807 6.253 ( 0.000 0.159 -0.000) 0.159 6.277 ( 0.000 1.068 0.000) 1.068 6.296 ( 0.000 0.816 -0.000) 0.816 6.339 ( 0.000 0.090 0.000) 0.090 6.372 ( 0.000 -0.415 0.000) 0.415 6.424 ( 0.000 3.055 0.000) 3.055 6.439 ( 0.000 2.953 -0.000) 2.953 6.491 ( 0.000 1.628 0.000) 1.628 6.546 ( 0.000 1.323 -0.000) 1.323 6.550 ( 0.000 0.549 0.000) 0.549 6.602 ( -0.000 0.354 -0.000) 0.354 6.626 ( 0.000 1.653 0.000) 1.653 6.660 ( 0.000 0.967 0.000) 0.967 6.698 ( 0.000 0.461 0.000) 0.461 6.710 ( 0.000 1.413 -0.000) 1.413 6.729 ( 0.000 0.531 0.000) 0.531 6.745 ( 0.000 -0.906 0.000) 0.906 6.776 ( 0.000 -0.373 0.000) 0.373 6.862 ( 0.000 -1.532 0.000) 1.532 6.961 ( 0.000 2.835 0.000) 2.835 6.975 ( 0.000 3.537 0.000) 3.537 7.044 ( 0.000 0.561 -0.000) 0.561 7.073 ( 0.000 -1.429 0.000) 1.429 7.090 ( 0.000 1.163 0.000) 1.163 7.100 ( 0.000 0.169 -0.000) 0.169 7.115 ( 0.000 2.215 0.000) 2.215 7.117 ( -0.000 1.731 -0.000) 1.731 7.188 ( 0.000 -0.247 0.000) 0.247 7.207 ( -0.000 -0.048 -0.000) 0.048 7.242 ( -0.000 1.698 0.000) 1.698 7.256 ( 0.000 -0.608 0.000) 0.608 7.355 ( -0.000 1.181 0.000) 1.181 7.363 ( 0.000 -2.574 0.000) 2.574 7.430 ( -0.000 0.335 0.000) 0.335 7.432 ( 0.000 -2.741 -0.000) 2.741 7.446 ( -0.000 0.412 -0.000) 0.412 7.472 ( 0.000 -1.082 0.000) 1.082 7.490 ( 0.000 2.149 0.000) 2.149 7.530 ( 0.000 0.684 -0.000) 0.684 7.592 ( 0.000 2.925 -0.000) 2.925 7.644 ( 0.000 -0.637 0.000) 0.637 7.688 ( 0.000 0.423 0.000) 0.423 7.719 ( -0.000 -0.183 -0.000) 0.183 ======================= Grid point 15 (10/35) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( 0.000 14.497 0.000) 14.497 1.081 ( 0.000 14.518 0.000) 14.518 1.174 ( 0.000 2.696 0.000) 2.696 1.358 ( 0.000 5.061 0.000) 5.061 1.455 ( 0.000 7.299 0.000) 7.299 1.479 ( 0.000 -3.408 0.000) 3.408 1.525 ( 0.000 -2.684 0.000) 2.684 1.614 ( 0.000 5.454 0.000) 5.454 1.619 ( 0.000 -0.234 0.000) 0.234 1.694 ( 0.000 -1.245 0.000) 1.245 1.701 ( 0.000 3.757 0.000) 3.757 1.740 ( 0.000 3.123 0.000) 3.123 1.782 ( 0.000 5.471 0.000) 5.471 1.785 ( 0.000 -1.080 0.000) 1.080 1.806 ( 0.000 2.771 0.000) 2.771 1.860 ( 0.000 0.029 0.000) 0.029 1.874 ( 0.000 4.846 0.000) 4.846 1.877 ( 0.000 1.139 0.000) 1.139 1.968 ( 0.000 8.772 0.000) 8.772 2.034 ( 0.000 1.543 0.000) 1.543 2.079 ( 0.000 -1.972 0.000) 1.972 2.109 ( 0.000 -1.181 0.000) 1.181 2.129 ( 0.000 4.011 0.000) 4.011 2.129 ( 0.000 -0.260 0.000) 0.260 2.192 ( 0.000 1.299 0.000) 1.299 2.206 ( 0.000 -1.507 0.000) 1.507 2.301 ( 0.000 1.298 0.000) 1.298 2.312 ( 0.000 0.081 0.000) 0.081 2.366 ( 0.000 0.786 0.000) 0.786 2.381 ( 0.000 5.380 0.000) 5.380 2.459 ( 0.000 -4.182 0.000) 4.182 2.486 ( 0.000 -3.681 0.000) 3.681 2.491 ( 0.000 -0.799 0.000) 0.799 2.582 ( 0.000 -4.166 0.000) 4.166 2.594 ( 0.000 -3.488 0.000) 3.488 2.599 ( 0.000 -3.014 0.000) 3.014 2.632 ( 0.000 2.479 0.000) 2.479 2.653 ( 0.000 -3.192 0.000) 3.192 2.697 ( 0.000 -3.915 0.000) 3.915 2.732 ( 0.000 2.061 0.000) 2.061 2.761 ( 0.000 2.154 0.000) 2.154 2.768 ( 0.000 0.968 0.000) 0.968 2.834 ( 0.000 0.348 0.000) 0.348 2.840 ( 0.000 -1.716 0.000) 1.716 2.915 ( 0.000 -1.014 0.000) 1.014 2.956 ( 0.000 0.616 0.000) 0.616 2.965 ( 0.000 -0.805 0.000) 0.805 2.996 ( 0.000 -2.578 0.000) 2.578 3.016 ( 0.000 0.043 0.000) 0.043 3.057 ( 0.000 -0.876 0.000) 0.876 3.100 ( 0.000 0.617 0.000) 0.617 3.148 ( 0.000 -3.387 0.000) 3.387 3.173 ( 0.000 -2.618 0.000) 2.618 3.177 ( 0.000 2.139 0.000) 2.139 3.189 ( 0.000 -0.284 0.000) 0.284 3.254 ( 0.000 2.326 0.000) 2.326 3.261 ( 0.000 -3.711 0.000) 3.711 3.292 ( 0.000 0.736 0.000) 0.736 3.337 ( 0.000 1.522 0.000) 1.522 3.381 ( 0.000 2.429 0.000) 2.429 3.393 ( 0.000 -1.361 0.000) 1.361 3.457 ( 0.000 -0.716 0.000) 0.716 3.471 ( 0.000 -2.902 0.000) 2.902 3.513 ( 0.000 2.509 0.000) 2.509 3.544 ( 0.000 -0.112 0.000) 0.112 3.560 ( 0.000 2.687 0.000) 2.687 3.574 ( 0.000 -0.729 0.000) 0.729 3.621 ( 0.000 -3.934 0.000) 3.934 3.665 ( 0.000 -0.115 0.000) 0.115 3.680 ( 0.000 -1.004 0.000) 1.004 3.748 ( 0.000 0.421 0.000) 0.421 3.755 ( 0.000 1.533 0.000) 1.533 3.777 ( 0.000 1.711 0.000) 1.711 3.870 ( 0.000 -3.119 0.000) 3.119 3.881 ( 0.000 -5.062 0.000) 5.062 3.944 ( 0.000 -2.965 0.000) 2.965 3.960 ( 0.000 0.605 0.000) 0.605 3.994 ( 0.000 2.716 0.000) 2.716 4.065 ( 0.000 2.172 0.000) 2.172 4.104 ( 0.000 -2.987 0.000) 2.987 4.169 ( 0.000 0.202 0.000) 0.202 4.197 ( 0.000 -2.785 0.000) 2.785 4.261 ( 0.000 0.680 0.000) 0.680 4.298 ( 0.000 -0.054 0.000) 0.054 4.332 ( 0.000 -2.271 0.000) 2.271 4.340 ( 0.000 -1.606 0.000) 1.606 4.410 ( 0.000 1.104 0.000) 1.104 4.434 ( 0.000 1.688 0.000) 1.688 4.495 ( 0.000 5.503 0.000) 5.503 4.601 ( 0.000 0.137 0.000) 0.137 4.651 ( 0.000 -2.646 0.000) 2.646 4.724 ( 0.000 5.547 0.000) 5.547 4.730 ( 0.000 -0.323 0.000) 0.323 4.776 ( 0.000 -5.100 0.000) 5.100 4.804 ( 0.000 -1.031 0.000) 1.031 4.833 ( 0.000 0.535 0.000) 0.535 4.941 ( 0.000 -3.043 0.000) 3.043 4.976 ( 0.000 -3.471 0.000) 3.471 4.994 ( 0.000 3.201 0.000) 3.201 5.020 ( 0.000 1.436 0.000) 1.436 5.057 ( 0.000 -1.659 0.000) 1.659 5.105 ( 0.000 -2.486 0.000) 2.486 5.132 ( 0.000 -0.938 0.000) 0.938 5.139 ( 0.000 -0.350 0.000) 0.350 5.214 ( 0.000 2.533 0.000) 2.533 5.278 ( 0.000 0.412 0.000) 0.412 5.338 ( 0.000 -3.901 0.000) 3.901 5.345 ( 0.000 0.233 0.000) 0.233 5.399 ( 0.000 -3.429 0.000) 3.429 5.422 ( 0.000 -3.785 0.000) 3.785 5.490 ( 0.000 2.004 0.000) 2.004 5.557 ( 0.000 -0.355 0.000) 0.355 5.600 ( 0.000 1.512 0.000) 1.512 5.638 ( 0.000 -2.845 0.000) 2.845 5.670 ( 0.000 0.468 0.000) 0.468 5.716 ( 0.000 -1.372 0.000) 1.372 5.803 ( 0.000 1.087 0.000) 1.087 5.866 ( 0.000 -1.451 0.000) 1.451 5.923 ( 0.000 1.044 0.000) 1.044 5.948 ( 0.000 -0.451 0.000) 0.451 5.996 ( 0.000 -0.793 0.000) 0.793 6.016 ( 0.000 -1.781 0.000) 1.781 6.117 ( 0.000 -0.598 0.000) 0.598 6.145 ( 0.000 -1.632 0.000) 1.632 6.221 ( 0.000 0.035 0.000) 0.035 6.237 ( 0.000 -1.021 0.000) 1.021 6.246 ( 0.000 -0.625 0.000) 0.625 6.266 ( 0.000 -0.514 0.000) 0.514 6.377 ( 0.000 -0.133 0.000) 0.133 6.379 ( 0.000 0.143 0.000) 0.143 6.487 ( 0.000 1.231 0.000) 1.231 6.492 ( 0.000 0.476 0.000) 0.476 6.506 ( 0.000 1.320 0.000) 1.320 6.527 ( 0.000 0.467 0.000) 0.467 6.528 ( 0.000 -0.469 0.000) 0.469 6.546 ( 0.000 -1.002 0.000) 1.002 6.685 ( 0.000 2.206 0.000) 2.206 6.700 ( 0.000 1.475 0.000) 1.475 6.717 ( 0.000 1.735 0.000) 1.735 6.732 ( 0.000 0.616 0.000) 0.616 6.739 ( 0.000 0.653 0.000) 0.653 6.755 ( 0.000 0.180 0.000) 0.180 6.810 ( 0.000 1.856 0.000) 1.856 6.828 ( 0.000 0.667 0.000) 0.667 6.985 ( 0.000 2.245 0.000) 2.245 7.020 ( 0.000 3.243 0.000) 3.243 7.041 ( 0.000 -0.035 0.000) 0.035 7.088 ( 0.000 -0.584 0.000) 0.584 7.112 ( 0.000 2.587 0.000) 2.587 7.128 ( 0.000 3.172 0.000) 3.172 7.154 ( 0.000 0.074 0.000) 0.074 7.160 ( 0.000 0.654 0.000) 0.654 7.163 ( 0.000 0.903 0.000) 0.903 7.197 ( 0.000 -2.031 0.000) 2.031 7.219 ( 0.000 -2.412 0.000) 2.412 7.257 ( 0.000 -0.210 0.000) 0.210 7.341 ( 0.000 0.057 0.000) 0.057 7.365 ( 0.000 -2.016 0.000) 2.016 7.373 ( 0.000 -0.089 0.000) 0.089 7.387 ( 0.000 -2.094 0.000) 2.094 7.456 ( 0.000 0.873 0.000) 0.873 7.490 ( 0.000 0.797 0.000) 0.797 7.510 ( 0.000 -1.431 0.000) 1.431 7.539 ( 0.000 -0.562 0.000) 0.562 7.635 ( 0.000 3.090 0.000) 3.090 7.680 ( 0.000 1.287 0.000) 1.287 7.708 ( 0.000 1.691 0.000) 1.691 7.751 ( 0.000 -1.339 0.000) 1.339 ======================= Grid point 16 (11/35) ======================= q-point: ( 0.25 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( 7.438 13.618 -1.844) 15.625 1.193 ( 9.351 11.182 1.397) 14.643 1.216 ( 3.499 3.919 -1.891) 5.584 1.383 ( 1.581 3.142 3.756) 5.146 1.418 ( -4.195 5.963 0.149) 7.293 1.462 ( -2.158 4.870 0.223) 5.332 1.543 ( 2.252 -5.567 2.033) 6.340 1.556 ( -5.363 2.252 0.286) 5.823 1.597 ( -1.691 6.497 -0.712) 6.751 1.657 ( -0.369 1.442 -0.096) 1.491 1.686 ( -3.031 2.120 -2.437) 4.429 1.726 ( -2.052 4.186 -2.560) 5.319 1.762 ( 1.978 3.206 0.122) 3.769 1.798 ( 0.216 1.912 -1.175) 2.254 1.822 ( 2.204 -2.235 -0.682) 3.212 1.858 ( 0.146 -1.834 -1.702) 2.506 1.883 ( 0.804 5.973 1.278) 6.161 1.940 ( 3.236 -1.501 1.513) 3.875 1.995 ( 1.207 5.346 0.884) 5.551 2.032 ( -2.392 1.071 -2.110) 3.365 2.078 ( -2.556 -1.416 1.518) 3.293 2.105 ( -0.591 1.474 2.241) 2.747 2.108 ( 5.073 2.851 -0.355) 5.830 2.163 ( 2.380 -0.247 -0.203) 2.401 2.217 ( 2.858 1.672 -0.967) 3.450 2.247 ( 2.235 -1.775 -0.655) 2.928 2.307 ( 0.922 0.515 2.105) 2.355 2.352 ( 2.562 0.717 -2.016) 3.338 2.369 ( -2.102 0.592 -0.572) 2.257 2.407 ( 3.456 3.894 1.094) 5.321 2.439 ( -1.723 -1.599 1.973) 3.068 2.467 ( -0.667 -1.821 -0.518) 2.007 2.477 ( -0.106 0.189 1.359) 1.376 2.576 ( -2.153 -2.152 -1.792) 3.533 2.581 ( -0.168 -1.403 -1.569) 2.112 2.611 ( -1.425 -3.966 -0.712) 4.274 2.619 ( -0.797 -1.294 -0.731) 1.686 2.649 ( -0.947 -1.539 1.224) 2.183 2.689 ( 1.009 -4.043 0.213) 4.172 2.728 ( -0.667 1.603 1.344) 2.196 2.755 ( -0.622 1.692 1.048) 2.085 2.769 ( 1.929 0.077 0.861) 2.113 2.833 ( -0.665 -2.505 -1.228) 2.867 2.842 ( -0.686 -2.463 0.331) 2.578 2.907 ( -5.176 2.688 0.797) 5.886 2.927 ( 1.036 -1.544 0.240) 1.875 2.955 ( -0.728 1.469 0.581) 1.740 3.002 ( 1.499 0.117 0.998) 1.804 3.022 ( -1.406 -3.409 -1.493) 3.978 3.062 ( 0.927 -1.664 2.116) 2.847 3.075 ( -3.173 2.612 0.826) 4.192 3.119 ( -0.586 0.152 -3.495) 3.547 3.145 ( -1.389 -1.510 -1.267) 2.412 3.165 ( -0.421 1.183 -0.325) 1.297 3.209 ( 2.498 -2.246 -1.064) 3.524 3.231 ( -0.527 -0.240 1.137) 1.275 3.256 ( -0.249 2.304 3.017) 3.804 3.302 ( -2.665 3.800 1.016) 4.751 3.311 ( -0.812 -0.576 -1.747) 2.011 3.372 ( -1.342 -2.613 0.070) 2.939 3.404 ( -0.731 -0.471 -2.161) 2.329 3.414 ( -0.745 -1.199 0.908) 1.678 3.444 ( -3.162 -2.849 -0.557) 4.292 3.491 ( -3.079 1.666 -1.357) 3.754 3.531 ( 0.112 -0.419 -0.146) 0.457 3.572 ( -1.230 2.440 0.379) 2.759 3.577 ( -0.456 -1.355 -1.922) 2.395 3.609 ( -0.737 -2.013 -0.464) 2.193 3.642 ( -0.369 0.108 -0.578) 0.694 3.708 ( -0.116 4.020 -0.697) 4.081 3.743 ( 2.634 -1.090 0.533) 2.900 3.779 ( 3.132 -1.219 0.167) 3.365 3.793 ( -0.267 -0.465 1.832) 1.909 3.867 ( -0.515 -2.558 2.054) 3.321 3.895 ( 0.812 -4.042 1.131) 4.275 3.916 ( 0.369 -2.772 0.047) 2.797 3.960 ( -0.418 -0.471 0.273) 0.686 3.976 ( -0.337 2.472 -2.169) 3.306 4.059 ( -1.260 1.180 0.099) 1.729 4.099 ( -0.159 -1.865 1.618) 2.474 4.142 ( -0.786 -2.185 -0.663) 2.415 4.211 ( -0.587 0.861 0.869) 1.357 4.246 ( -1.546 1.165 0.295) 1.958 4.271 ( -3.076 -0.176 2.486) 3.959 4.309 ( -1.168 -5.114 -0.195) 5.250 4.365 ( 0.970 -3.485 0.010) 3.617 4.466 ( 0.958 2.653 -1.039) 3.006 4.482 ( 5.919 1.762 1.864) 6.451 4.534 ( 4.803 3.438 -2.974) 6.613 4.563 ( -4.611 0.588 -3.808) 6.009 4.612 ( -1.399 1.931 2.891) 3.748 4.693 ( -2.472 4.508 -1.793) 5.445 4.739 ( 2.601 -2.077 -0.344) 3.346 4.793 ( 1.229 -2.007 -2.772) 3.637 4.812 ( 2.270 -0.481 2.992) 3.786 4.863 ( -0.217 -4.459 -0.886) 4.551 4.921 ( -1.033 0.115 0.821) 1.325 4.953 ( -0.703 -1.423 1.807) 2.406 4.964 ( -3.666 0.262 -1.408) 3.936 4.995 ( -4.496 -0.621 -3.195) 5.550 5.059 ( 2.529 0.194 1.927) 3.185 5.116 ( 1.107 -2.780 0.265) 3.004 5.133 ( -0.182 -0.862 2.299) 2.462 5.171 ( 1.906 -1.984 -2.736) 3.880 5.248 ( 2.516 1.748 2.386) 3.884 5.311 ( 2.207 -0.672 0.379) 2.338 5.355 ( 1.488 -1.302 2.172) 2.937 5.398 ( 2.752 -0.547 -1.148) 3.032 5.409 ( 2.989 -0.045 0.455) 3.024 5.465 ( 3.702 -3.082 -2.495) 5.425 5.532 ( 2.347 -0.414 1.397) 2.763 5.564 ( 0.921 -0.375 -1.526) 1.821 5.586 ( -0.387 0.897 -1.984) 2.211 5.640 ( 0.238 -2.298 -0.315) 2.332 5.665 ( -0.510 -0.267 1.018) 1.169 5.703 ( -0.905 -2.008 1.080) 2.453 5.808 ( 0.269 1.029 2.560) 2.772 5.871 ( 0.251 -1.405 1.045) 1.769 5.919 ( -0.291 1.035 -0.265) 1.107 5.935 ( -1.124 0.038 -1.804) 2.126 5.984 ( -1.474 -0.223 -0.934) 1.759 5.999 ( -1.224 -0.943 -1.299) 2.019 6.079 ( -3.433 -1.134 0.646) 3.672 6.103 ( -3.075 -2.268 0.623) 3.872 6.226 ( 0.573 -0.220 -0.177) 0.638 6.239 ( 0.351 -0.632 -0.181) 0.745 6.264 ( 1.487 -0.368 0.482) 1.606 6.284 ( 0.971 -0.605 0.122) 1.150 6.362 ( -1.191 0.308 0.327) 1.273 6.375 ( -0.370 -0.054 0.093) 0.386 6.475 ( -1.035 0.896 -0.079) 1.372 6.486 ( -0.990 0.720 -0.599) 1.363 6.512 ( 0.700 1.345 0.302) 1.546 6.540 ( 1.343 0.579 0.254) 1.485 6.550 ( 1.361 -0.230 -1.080) 1.753 6.568 ( 1.910 -1.060 0.559) 2.254 6.676 ( -0.723 2.134 -0.453) 2.298 6.685 ( -0.589 1.388 0.359) 1.550 6.718 ( -0.619 1.177 -0.039) 1.330 6.728 ( -0.786 0.273 -0.218) 0.860 6.739 ( 0.495 0.858 0.506) 1.112 6.756 ( 0.095 0.622 0.653) 0.907 6.804 ( -0.354 1.974 -0.490) 2.065 6.839 ( 0.806 0.212 -0.399) 0.924 7.006 ( 1.659 2.083 0.640) 2.739 7.026 ( 0.587 3.429 -0.358) 3.497 7.062 ( 1.703 0.850 0.033) 1.904 7.086 ( -0.707 0.316 0.003) 0.774 7.098 ( -2.331 2.156 -0.137) 3.178 7.113 ( 0.543 1.506 0.061) 1.602 7.143 ( -0.670 0.393 0.407) 0.877 7.151 ( 0.085 0.642 -0.454) 0.790 7.166 ( -0.081 -0.486 -0.148) 0.514 7.199 ( -0.426 -2.340 -0.131) 2.382 7.224 ( -0.104 -1.733 -0.043) 1.736 7.250 ( -0.999 -2.007 0.315) 2.264 7.326 ( 0.298 0.680 0.461) 0.874 7.368 ( 1.563 0.452 -0.222) 1.642 7.388 ( -0.582 -1.633 -0.257) 1.753 7.421 ( 2.306 -0.850 0.064) 2.458 7.456 ( 0.043 0.637 -0.022) 0.638 7.474 ( -1.827 -0.689 0.097) 1.955 7.506 ( 0.747 1.316 0.077) 1.515 7.548 ( 0.061 -1.080 -0.185) 1.098 7.631 ( -0.117 2.677 0.293) 2.695 7.668 ( -1.175 1.165 -0.524) 1.736 7.702 ( -0.397 1.375 -0.121) 1.436 7.735 ( -1.341 -0.815 0.376) 1.614 ======================= Grid point 17 (12/35) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( 0.000 10.542 -0.000) 10.542 1.244 ( -0.000 10.019 0.000) 10.019 1.265 ( 0.000 5.569 -0.000) 5.569 1.297 ( 0.000 3.897 -0.000) 3.897 1.448 ( 0.000 4.440 -0.000) 4.440 1.451 ( 0.000 6.875 0.000) 6.875 1.528 ( 0.000 1.879 -0.000) 1.879 1.545 ( -0.000 6.955 0.000) 6.955 1.574 ( 0.000 1.225 0.000) 1.225 1.617 ( 0.000 3.948 -0.000) 3.948 1.663 ( 0.000 -6.584 0.000) 6.584 1.711 ( 0.000 6.252 -0.000) 6.252 1.781 ( -0.000 -0.194 -0.000) 0.194 1.798 ( 0.000 2.330 0.000) 2.330 1.870 ( -0.000 -0.712 0.000) 0.712 1.884 ( -0.000 1.642 0.000) 1.642 1.890 ( 0.000 -1.979 -0.000) 1.979 1.953 ( 0.000 2.082 -0.000) 2.082 1.982 ( 0.000 5.620 0.000) 5.620 2.018 ( 0.000 -2.090 -0.000) 2.090 2.053 ( 0.000 -1.494 -0.000) 1.494 2.099 ( 0.000 0.838 -0.000) 0.838 2.196 ( -0.000 0.352 0.000) 0.352 2.202 ( 0.000 -0.405 0.000) 0.405 2.229 ( -0.000 3.601 -0.000) 3.601 2.267 ( 0.000 -3.101 0.000) 3.101 2.302 ( -0.000 2.508 0.000) 2.508 2.338 ( 0.000 0.362 0.000) 0.362 2.409 ( -0.000 1.669 0.000) 1.669 2.417 ( 0.000 -0.402 0.000) 0.402 2.427 ( 0.000 -1.392 -0.000) 1.392 2.488 ( -0.000 3.835 -0.000) 3.835 2.512 ( 0.000 1.786 -0.000) 1.786 2.537 ( -0.000 -0.522 -0.000) 0.522 2.540 ( 0.000 -0.502 0.000) 0.502 2.584 ( -0.000 -0.653 -0.000) 0.653 2.596 ( 0.000 -3.064 -0.000) 3.064 2.645 ( 0.000 -3.701 0.000) 3.701 2.706 ( -0.000 1.409 0.000) 1.409 2.719 ( 0.000 -5.129 0.000) 5.129 2.772 ( -0.000 -0.319 0.000) 0.319 2.784 ( 0.000 -0.106 0.000) 0.106 2.800 ( -0.000 0.618 -0.000) 0.618 2.838 ( 0.000 -0.485 -0.000) 0.485 2.847 ( -0.000 -4.131 0.000) 4.131 2.925 ( 0.000 -3.339 0.000) 3.339 2.972 ( -0.000 3.235 -0.000) 3.235 2.982 ( 0.000 1.568 0.000) 1.568 3.016 ( -0.000 -0.690 -0.000) 0.690 3.018 ( 0.000 -0.320 0.000) 0.320 3.105 ( 0.000 0.694 0.000) 0.694 3.130 ( 0.000 3.735 -0.000) 3.735 3.139 ( 0.000 -3.094 -0.000) 3.094 3.183 ( 0.000 1.991 0.000) 1.991 3.212 ( 0.000 1.374 0.000) 1.374 3.218 ( 0.000 -1.973 0.000) 1.973 3.261 ( 0.000 2.382 -0.000) 2.382 3.265 ( 0.000 1.620 0.000) 1.620 3.331 ( 0.000 0.458 -0.000) 0.458 3.336 ( -0.000 -0.775 0.000) 0.775 3.360 ( 0.000 -2.550 -0.000) 2.550 3.399 ( -0.000 -2.256 0.000) 2.256 3.411 ( 0.000 -1.548 -0.000) 1.548 3.455 ( 0.000 -0.793 0.000) 0.793 3.536 ( 0.000 0.658 -0.000) 0.658 3.544 ( -0.000 -1.037 0.000) 1.037 3.578 ( 0.000 0.356 0.000) 0.356 3.597 ( 0.000 -2.111 0.000) 2.111 3.647 ( 0.000 1.042 -0.000) 1.042 3.723 ( 0.000 2.920 -0.000) 2.920 3.762 ( 0.000 1.971 -0.000) 1.971 3.782 ( 0.000 -2.838 0.000) 2.838 3.841 ( -0.000 -5.104 0.000) 5.104 3.852 ( 0.000 -2.396 -0.000) 2.396 3.910 ( 0.000 -2.233 -0.000) 2.233 3.918 ( 0.000 -4.168 -0.000) 4.168 3.956 ( 0.000 3.112 0.000) 3.112 3.977 ( 0.000 1.192 -0.000) 1.192 4.055 ( -0.000 -2.883 0.000) 2.883 4.093 ( 0.000 2.682 -0.000) 2.682 4.164 ( 0.000 0.535 -0.000) 0.535 4.171 ( -0.000 -1.067 0.000) 1.067 4.219 ( 0.000 0.551 -0.000) 0.551 4.221 ( -0.000 -0.894 0.000) 0.894 4.301 ( 0.000 -4.959 0.000) 4.959 4.380 ( 0.000 -4.643 0.000) 4.643 4.468 ( 0.000 2.528 -0.000) 2.528 4.511 ( 0.000 2.881 0.000) 2.881 4.546 ( 0.000 1.082 0.000) 1.082 4.580 ( 0.000 2.806 -0.000) 2.806 4.620 ( 0.000 3.862 0.000) 3.862 4.683 ( 0.000 0.763 -0.000) 0.763 4.745 ( 0.000 -2.846 0.000) 2.846 4.816 ( 0.000 -0.411 -0.000) 0.411 4.857 ( 0.000 -2.743 0.000) 2.743 4.881 ( -0.000 1.091 -0.000) 1.091 4.889 ( 0.000 1.092 0.000) 1.092 4.919 ( -0.000 -4.301 -0.000) 4.301 4.922 ( 0.000 -0.177 0.000) 0.177 4.950 ( 0.000 -0.891 -0.000) 0.891 5.100 ( 0.000 1.775 0.000) 1.775 5.100 ( -0.000 -0.316 -0.000) 0.316 5.151 ( -0.000 -4.229 -0.000) 4.229 5.181 ( 0.000 -3.199 -0.000) 3.199 5.280 ( 0.000 -0.836 0.000) 0.836 5.330 ( 0.000 -2.887 0.000) 2.887 5.384 ( 0.000 2.076 0.000) 2.076 5.417 ( 0.000 1.107 0.000) 1.107 5.469 ( 0.000 0.368 -0.000) 0.368 5.495 ( -0.000 0.887 0.000) 0.887 5.527 ( -0.000 -1.123 0.000) 1.123 5.590 ( -0.000 -1.499 0.000) 1.499 5.611 ( 0.000 -0.444 -0.000) 0.444 5.645 ( -0.000 -1.469 0.000) 1.469 5.648 ( 0.000 -2.200 -0.000) 2.200 5.702 ( 0.000 -3.665 -0.000) 3.665 5.811 ( 0.000 0.689 0.000) 0.689 5.868 ( 0.000 -0.688 0.000) 0.688 5.915 ( 0.000 0.535 0.000) 0.535 5.925 ( 0.000 0.811 -0.000) 0.811 5.953 ( -0.000 0.620 -0.000) 0.620 6.006 ( 0.000 0.352 -0.000) 0.352 6.011 ( -0.000 -1.695 0.000) 1.695 6.075 ( 0.000 -2.954 -0.000) 2.954 6.238 ( -0.000 -0.348 0.000) 0.348 6.240 ( 0.000 -0.664 -0.000) 0.664 6.284 ( 0.000 -0.066 0.000) 0.066 6.292 ( 0.000 -0.811 -0.000) 0.811 6.347 ( 0.000 0.707 -0.000) 0.707 6.371 ( 0.000 -0.136 0.000) 0.136 6.463 ( -0.000 1.047 -0.000) 1.047 6.470 ( 0.000 0.604 0.000) 0.604 6.520 ( 0.000 1.550 0.000) 1.550 6.559 ( 0.000 0.122 -0.000) 0.122 6.561 ( 0.000 0.426 0.000) 0.426 6.594 ( 0.000 -1.249 -0.000) 1.249 6.666 ( 0.000 2.230 -0.000) 2.230 6.683 ( 0.000 1.274 0.000) 1.274 6.712 ( 0.000 0.890 0.000) 0.890 6.713 ( 0.000 -0.023 -0.000) 0.023 6.745 ( 0.000 0.562 0.000) 0.562 6.757 ( 0.000 0.917 -0.000) 0.917 6.800 ( 0.000 2.372 0.000) 2.372 6.849 ( 0.000 -0.321 0.000) 0.321 7.025 ( 0.000 3.569 0.000) 3.569 7.047 ( 0.000 0.601 -0.000) 0.601 7.052 ( -0.000 3.861 0.000) 3.861 7.066 ( 0.000 1.073 0.000) 1.073 7.103 ( 0.000 0.165 0.000) 0.165 7.119 ( 0.000 1.185 0.000) 1.185 7.139 ( 0.000 0.957 0.000) 0.957 7.156 ( 0.000 1.477 -0.000) 1.477 7.160 ( 0.000 -2.524 0.000) 2.524 7.188 ( 0.000 -1.935 -0.000) 1.935 7.225 ( -0.000 -2.956 -0.000) 2.956 7.231 ( 0.000 -2.074 0.000) 2.074 7.348 ( 0.000 0.512 0.000) 0.512 7.367 ( -0.000 0.001 0.000) 0.001 7.405 ( -0.000 0.038 0.000) 0.038 7.419 ( 0.000 -0.359 -0.000) 0.359 7.456 ( 0.000 0.627 -0.000) 0.627 7.463 ( -0.000 -0.223 0.000) 0.223 7.528 ( 0.000 0.990 0.000) 0.990 7.534 ( -0.000 -0.254 -0.000) 0.254 7.641 ( 0.000 1.981 0.000) 1.981 7.644 ( -0.000 0.749 -0.000) 0.749 7.699 ( 0.000 0.769 -0.000) 0.769 7.717 ( 0.000 -0.030 -0.000) 0.030 ======================= Grid point 20 (13/35) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 21 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( 0.000 -5.596 0.000) 5.596 1.165 ( 0.000 5.596 0.000) 5.596 1.315 ( 0.000 -10.688 0.000) 10.688 1.315 ( 0.000 10.688 0.000) 10.688 1.456 ( 0.000 -5.426 0.000) 5.426 1.456 ( 0.000 5.426 0.000) 5.426 1.608 ( 0.000 -6.819 0.000) 6.819 1.608 ( 0.000 6.819 0.000) 6.819 1.625 ( 0.000 -0.734 0.000) 0.734 1.625 ( 0.000 0.734 0.000) 0.734 1.741 ( 0.000 -2.124 0.000) 2.124 1.741 ( 0.000 2.124 0.000) 2.124 1.787 ( 0.000 -1.950 0.000) 1.950 1.787 ( 0.000 1.950 0.000) 1.950 1.882 ( 0.000 -0.089 0.000) 0.089 1.882 ( 0.000 0.089 0.000) 0.089 1.920 ( 0.000 -2.026 0.000) 2.026 1.920 ( 0.000 2.026 0.000) 2.026 2.046 ( 0.000 -0.063 0.000) 0.063 2.046 ( 0.000 0.063 0.000) 0.063 2.077 ( 0.000 -1.617 0.000) 1.617 2.077 ( 0.000 1.617 0.000) 1.617 2.167 ( 0.000 -2.125 0.000) 2.125 2.167 ( 0.000 2.125 0.000) 2.125 2.204 ( 0.000 -0.349 0.000) 0.349 2.204 ( 0.000 0.349 0.000) 0.349 2.310 ( 0.000 -0.873 0.000) 0.873 2.310 ( 0.000 0.873 0.000) 0.873 2.399 ( 0.000 -2.586 0.000) 2.586 2.399 ( 0.000 2.586 0.000) 2.586 2.444 ( 0.000 -0.218 0.000) 0.218 2.444 ( 0.000 0.218 0.000) 0.218 2.521 ( 0.000 -3.186 0.000) 3.186 2.521 ( 0.000 3.186 0.000) 3.186 2.529 ( 0.000 -1.131 0.000) 1.131 2.529 ( 0.000 1.131 0.000) 1.131 2.613 ( 0.000 -2.207 0.000) 2.207 2.613 ( 0.000 2.207 0.000) 2.207 2.725 ( 0.000 -3.014 0.000) 3.014 2.725 ( 0.000 3.014 0.000) 3.014 2.797 ( 0.000 -2.059 0.000) 2.059 2.797 ( 0.000 2.059 0.000) 2.059 2.835 ( 0.000 -1.670 0.000) 1.670 2.835 ( 0.000 1.670 0.000) 1.670 2.929 ( 0.000 -3.779 0.000) 3.779 2.929 ( 0.000 3.779 0.000) 3.779 2.967 ( 0.000 -0.863 0.000) 0.863 2.967 ( 0.000 0.863 0.000) 0.863 3.064 ( 0.000 -3.325 0.000) 3.325 3.064 ( 0.000 3.325 0.000) 3.325 3.094 ( 0.000 -6.698 0.000) 6.698 3.094 ( 0.000 6.698 0.000) 6.698 3.142 ( 0.000 -2.433 0.000) 2.433 3.142 ( 0.000 2.433 0.000) 2.433 3.213 ( 0.000 -1.108 0.000) 1.108 3.213 ( 0.000 1.108 0.000) 1.108 3.305 ( 0.000 -0.834 0.000) 0.834 3.305 ( 0.000 0.834 0.000) 0.834 3.342 ( 0.000 -1.322 0.000) 1.322 3.342 ( 0.000 1.322 0.000) 1.322 3.438 ( 0.000 -1.862 0.000) 1.862 3.438 ( 0.000 1.862 0.000) 1.862 3.466 ( 0.000 -3.584 0.000) 3.584 3.466 ( 0.000 3.584 0.000) 3.584 3.569 ( 0.000 -1.885 0.000) 1.885 3.569 ( 0.000 1.885 0.000) 1.885 3.623 ( 0.000 -0.315 0.000) 0.315 3.623 ( 0.000 0.315 0.000) 0.315 3.645 ( 0.000 -0.383 0.000) 0.383 3.645 ( 0.000 0.383 0.000) 0.383 3.757 ( 0.000 -2.304 0.000) 2.304 3.757 ( 0.000 2.304 0.000) 2.304 3.820 ( 0.000 -1.246 0.000) 1.246 3.820 ( 0.000 1.246 0.000) 1.246 3.861 ( 0.000 -3.258 0.000) 3.258 3.861 ( 0.000 3.258 0.000) 3.258 4.009 ( 0.000 -4.173 0.000) 4.173 4.009 ( 0.000 4.173 0.000) 4.173 4.077 ( 0.000 -4.262 0.000) 4.262 4.077 ( 0.000 4.262 0.000) 4.262 4.167 ( 0.000 -0.774 0.000) 0.774 4.167 ( 0.000 0.774 0.000) 0.774 4.286 ( 0.000 -1.478 0.000) 1.478 4.286 ( 0.000 1.478 0.000) 1.478 4.313 ( 0.000 -0.186 0.000) 0.186 4.313 ( 0.000 0.186 0.000) 0.186 4.438 ( 0.000 -1.179 0.000) 1.179 4.438 ( 0.000 1.179 0.000) 1.179 4.585 ( 0.000 -2.263 0.000) 2.263 4.585 ( 0.000 2.263 0.000) 2.263 4.658 ( 0.000 -4.908 0.000) 4.908 4.658 ( 0.000 4.909 0.000) 4.909 4.748 ( 0.000 -1.219 0.000) 1.219 4.748 ( 0.000 1.219 0.000) 1.219 4.852 ( 0.000 -4.925 0.000) 4.925 4.852 ( 0.000 4.925 0.000) 4.925 4.891 ( 0.000 -4.883 0.000) 4.883 4.891 ( 0.000 4.883 0.000) 4.883 5.041 ( 0.000 -1.036 0.000) 1.036 5.041 ( 0.000 1.036 0.000) 1.036 5.056 ( 0.000 -2.592 0.000) 2.592 5.056 ( 0.000 2.592 0.000) 2.592 5.129 ( 0.000 -0.800 0.000) 0.800 5.129 ( 0.000 0.800 0.000) 0.800 5.266 ( 0.000 -2.885 0.000) 2.885 5.266 ( 0.000 2.885 0.000) 2.885 5.322 ( 0.000 -2.707 0.000) 2.707 5.322 ( 0.000 2.707 0.000) 2.707 5.371 ( 0.000 -1.231 0.000) 1.231 5.371 ( 0.000 1.231 0.000) 1.231 5.532 ( 0.000 -2.263 0.000) 2.263 5.532 ( 0.000 2.263 0.000) 2.263 5.611 ( 0.000 -0.220 0.000) 0.220 5.611 ( 0.000 0.220 0.000) 0.220 5.691 ( 0.000 -1.384 0.000) 1.384 5.691 ( 0.000 1.384 0.000) 1.384 5.830 ( 0.000 -1.828 0.000) 1.828 5.830 ( 0.000 1.828 0.000) 1.828 5.941 ( 0.000 -0.574 0.000) 0.574 5.941 ( 0.000 0.574 0.000) 0.574 5.992 ( 0.000 -0.595 0.000) 0.595 5.992 ( 0.000 0.595 0.000) 0.595 6.119 ( 0.000 -0.870 0.000) 0.870 6.119 ( 0.000 0.870 0.000) 0.870 6.223 ( 0.000 -0.370 0.000) 0.370 6.223 ( 0.000 0.370 0.000) 0.370 6.251 ( 0.000 -0.885 0.000) 0.885 6.251 ( 0.000 0.885 0.000) 0.885 6.378 ( 0.000 -0.164 0.000) 0.164 6.378 ( 0.000 0.164 0.000) 0.164 6.498 ( 0.000 -0.067 0.000) 0.067 6.498 ( 0.000 0.067 0.000) 0.067 6.521 ( 0.000 -0.432 0.000) 0.432 6.521 ( 0.000 0.432 0.000) 0.432 6.534 ( 0.000 -0.350 0.000) 0.350 6.534 ( 0.000 0.350 0.000) 0.350 6.713 ( 0.000 -0.498 0.000) 0.498 6.713 ( 0.000 0.498 0.000) 0.498 6.739 ( 0.000 -0.048 0.000) 0.048 6.739 ( 0.000 0.048 0.000) 0.048 6.749 ( 0.000 -0.721 0.000) 0.721 6.749 ( 0.000 0.721 0.000) 0.721 6.832 ( 0.000 -0.379 0.000) 0.379 6.832 ( 0.000 0.379 0.000) 0.379 7.024 ( 0.000 -1.666 0.000) 1.666 7.024 ( 0.000 1.666 0.000) 1.666 7.067 ( 0.000 -1.664 0.000) 1.664 7.067 ( 0.000 1.664 0.000) 1.664 7.155 ( 0.000 -1.317 0.000) 1.317 7.155 ( 0.000 1.317 0.000) 1.317 7.162 ( 0.000 -1.322 0.000) 1.322 7.162 ( 0.000 1.322 0.000) 1.322 7.171 ( 0.000 -2.215 0.000) 2.215 7.171 ( 0.000 2.215 0.000) 2.215 7.217 ( 0.000 -3.599 0.000) 3.599 7.217 ( 0.000 3.599 0.000) 3.599 7.349 ( 0.000 -0.820 0.000) 0.820 7.349 ( 0.000 0.820 0.000) 0.820 7.363 ( 0.000 -0.399 0.000) 0.399 7.363 ( 0.000 0.399 0.000) 0.399 7.474 ( 0.000 -1.034 0.000) 1.034 7.474 ( 0.000 1.034 0.000) 1.034 7.525 ( 0.000 -1.083 0.000) 1.083 7.525 ( 0.000 1.083 0.000) 1.083 7.681 ( 0.000 -1.417 0.000) 1.417 7.681 ( 0.000 1.417 0.000) 1.417 7.732 ( 0.000 -0.886 0.000) 0.886 7.732 ( 0.000 0.886 0.000) 0.886 ======================= Grid point 22 (14/35) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( 6.001 -4.842 -2.754) 8.188 1.234 ( 6.001 4.842 -2.754) 8.188 1.379 ( 5.570 -8.437 2.674) 10.457 1.379 ( 5.570 8.437 2.674) 10.457 1.440 ( -1.938 -3.197 2.582) 4.543 1.440 ( -1.938 3.197 2.582) 4.543 1.556 ( -2.415 -2.883 -1.788) 4.164 1.556 ( -2.415 2.883 -1.788) 4.164 1.664 ( -1.687 -5.819 -0.012) 6.058 1.664 ( -1.687 5.819 -0.012) 6.058 1.683 ( -1.075 -2.878 -1.025) 3.239 1.683 ( -1.075 2.878 -1.025) 3.239 1.797 ( 0.726 -0.877 -1.499) 1.883 1.797 ( 0.726 0.877 -1.499) 1.883 1.891 ( 1.158 -2.826 1.857) 3.575 1.891 ( 1.158 2.826 1.857) 3.575 1.908 ( -1.062 -4.027 -0.460) 4.190 1.908 ( -1.062 4.027 -0.460) 4.190 2.051 ( 0.352 -0.900 0.267) 1.003 2.051 ( 0.352 0.900 0.267) 1.003 2.103 ( -2.017 -3.099 -0.499) 3.731 2.103 ( -2.017 3.099 -0.499) 3.731 2.160 ( 3.674 -1.501 -0.748) 4.039 2.160 ( 3.674 1.501 -0.748) 4.039 2.222 ( 1.033 -0.403 -0.027) 1.109 2.222 ( 1.033 0.403 -0.027) 1.109 2.335 ( 1.742 -1.974 -0.593) 2.699 2.335 ( 1.742 1.974 -0.593) 2.699 2.400 ( -0.228 -1.718 1.237) 2.130 2.400 ( -0.228 1.718 1.237) 2.130 2.463 ( 1.938 -0.604 1.479) 2.512 2.463 ( 1.938 0.604 1.479) 2.512 2.508 ( 0.026 -6.113 0.544) 6.137 2.508 ( 0.026 6.113 0.544) 6.137 2.538 ( -0.050 -2.279 -0.563) 2.348 2.538 ( -0.050 2.279 -0.563) 2.348 2.603 ( -0.874 -2.436 -1.224) 2.863 2.603 ( -0.874 2.436 -1.224) 2.863 2.719 ( -1.136 -4.377 -0.626) 4.565 2.719 ( -1.136 4.377 -0.626) 4.565 2.771 ( -2.025 -2.397 0.976) 3.287 2.771 ( -2.025 2.397 0.976) 3.287 2.824 ( -0.117 -0.261 1.210) 1.243 2.824 ( -0.117 0.261 1.210) 1.243 2.924 ( -1.658 -3.037 -1.146) 3.645 2.924 ( -1.658 3.037 -1.146) 3.645 2.992 ( -0.569 -0.860 0.271) 1.067 2.992 ( -0.569 0.860 0.271) 1.067 3.018 ( 0.091 -1.545 2.082) 2.595 3.018 ( 0.091 1.545 2.082) 2.595 3.116 ( -0.153 -1.972 -0.275) 1.997 3.116 ( -0.153 1.972 -0.275) 1.997 3.144 ( 2.303 -3.869 -1.202) 4.660 3.144 ( 2.303 3.869 -1.202) 4.660 3.202 ( -1.173 -2.053 -1.088) 2.603 3.202 ( -1.173 2.053 -1.088) 2.603 3.303 ( -1.602 -0.884 1.665) 2.474 3.303 ( -1.602 0.884 1.665) 2.474 3.330 ( 1.524 -0.498 2.035) 2.591 3.330 ( 1.524 0.498 2.035) 2.591 3.400 ( -3.843 -0.876 -0.470) 3.969 3.400 ( -3.843 0.876 -0.470) 3.969 3.455 ( -1.596 -4.287 -4.087) 6.134 3.455 ( -1.596 4.287 -4.087) 6.134 3.571 ( -0.970 -1.126 -2.509) 2.916 3.571 ( -0.970 1.126 -2.509) 2.916 3.584 ( -1.756 -2.153 0.759) 2.880 3.584 ( -1.756 2.153 0.759) 2.880 3.670 ( 0.902 -4.084 0.375) 4.199 3.670 ( 0.902 4.084 0.375) 4.199 3.776 ( 1.517 -0.506 1.226) 2.015 3.776 ( 1.517 0.506 1.226) 2.015 3.821 ( 0.754 -3.065 1.229) 3.387 3.821 ( 0.754 3.065 1.229) 3.387 3.848 ( -0.929 -2.006 -0.435) 2.254 3.848 ( -0.929 2.006 -0.435) 2.254 4.008 ( -0.051 -3.120 -0.359) 3.140 4.008 ( -0.051 3.120 -0.359) 3.140 4.058 ( -0.334 -5.010 0.096) 5.022 4.058 ( -0.334 5.010 0.096) 5.022 4.156 ( -0.606 -4.505 1.653) 4.836 4.156 ( -0.606 4.505 1.653) 4.836 4.265 ( -3.068 -0.387 1.113) 3.287 4.265 ( -3.068 0.387 1.113) 3.287 4.301 ( -0.246 -2.598 -0.593) 2.676 4.301 ( -0.246 2.598 -0.593) 2.676 4.508 ( 3.988 -0.365 -1.090) 4.150 4.508 ( 3.988 0.365 -1.090) 4.150 4.561 ( -0.515 -0.348 0.754) 0.977 4.561 ( -0.515 0.348 0.754) 0.977 4.679 ( 1.334 -4.252 -1.215) 4.620 4.679 ( 1.334 4.252 -1.215) 4.620 4.773 ( -2.417 -3.194 -0.863) 4.098 4.773 ( -2.417 3.194 -0.863) 4.098 4.791 ( 1.931 -2.173 0.435) 2.939 4.791 ( 1.931 2.173 0.435) 2.939 4.919 ( 0.136 -1.344 1.619) 2.108 4.919 ( 0.136 1.344 1.619) 2.108 4.985 ( -4.059 -1.097 -3.795) 5.664 4.985 ( -4.059 1.097 -3.795) 5.664 5.072 ( 1.708 -1.354 3.637) 4.240 5.072 ( 1.708 1.354 3.637) 4.240 5.142 ( 0.358 -1.078 -2.221) 2.495 5.142 ( 0.358 1.078 -2.221) 2.495 5.282 ( -0.621 -1.919 2.189) 2.976 5.282 ( -0.621 1.919 2.189) 2.976 5.367 ( 5.844 -2.117 -0.061) 6.216 5.367 ( 5.844 2.117 -0.061) 6.216 5.424 ( 3.702 -1.365 -1.435) 4.198 5.424 ( 3.702 1.365 -1.435) 4.198 5.545 ( 1.121 -1.447 0.515) 1.901 5.545 ( 1.121 1.447 0.515) 1.901 5.607 ( -0.495 -1.324 -1.291) 1.914 5.607 ( -0.495 1.324 -1.291) 1.914 5.672 ( -1.384 -1.088 1.211) 2.137 5.672 ( -1.384 1.088 1.211) 2.137 5.836 ( 0.398 -1.914 1.403) 2.406 5.836 ( 0.398 1.914 1.403) 2.406 5.934 ( -0.561 -0.420 -0.928) 1.163 5.934 ( -0.561 0.420 -0.928) 1.163 5.987 ( -0.547 -0.371 -1.211) 1.380 5.987 ( -0.547 0.371 -1.211) 1.380 6.073 ( -3.714 -0.648 0.739) 3.842 6.073 ( -3.714 0.648 0.739) 3.842 6.228 ( 0.505 -0.429 -0.228) 0.701 6.228 ( 0.505 0.429 -0.228) 0.701 6.268 ( 1.229 -0.746 0.344) 1.478 6.268 ( 1.229 0.746 0.344) 1.478 6.370 ( -0.661 -0.446 0.345) 0.868 6.370 ( -0.661 0.446 0.345) 0.868 6.487 ( -1.055 -0.417 -0.413) 1.208 6.487 ( -1.055 0.417 -0.413) 1.208 6.536 ( 1.125 -1.082 0.094) 1.564 6.536 ( 1.125 1.082 0.094) 1.564 6.551 ( 1.509 -0.560 -0.152) 1.616 6.551 ( 1.509 0.560 -0.152) 1.616 6.701 ( -0.714 -0.158 0.095) 0.737 6.701 ( -0.714 0.158 0.095) 0.737 6.728 ( -0.989 -0.192 -0.112) 1.014 6.728 ( -0.989 0.192 -0.112) 1.014 6.755 ( 0.441 -0.638 0.427) 0.886 6.755 ( 0.441 0.638 0.427) 0.886 6.834 ( 0.199 -0.942 -0.388) 1.038 6.834 ( 0.199 0.942 -0.388) 1.038 7.046 ( 1.763 -1.993 0.620) 2.733 7.046 ( 1.763 1.993 0.620) 2.733 7.078 ( 1.039 -1.720 -0.345) 2.039 7.078 ( 1.039 1.720 -0.345) 2.039 7.130 ( -2.009 -1.830 -0.293) 2.733 7.130 ( -2.009 1.830 -0.293) 2.733 7.160 ( -0.470 -0.594 0.018) 0.757 7.160 ( -0.470 0.594 0.018) 0.757 7.165 ( -0.421 -0.962 -0.416) 1.129 7.165 ( -0.421 0.962 -0.416) 1.129 7.202 ( -1.015 -1.709 0.556) 2.064 7.202 ( -1.015 1.709 0.556) 2.064 7.353 ( 0.469 -1.829 0.150) 1.894 7.353 ( 0.469 1.829 0.150) 1.894 7.392 ( 2.050 -1.736 -0.213) 2.695 7.392 ( 2.050 1.736 -0.213) 2.695 7.469 ( -0.461 -0.337 0.055) 0.574 7.469 ( -0.461 0.337 0.055) 0.574 7.527 ( 0.260 -1.100 0.005) 1.131 7.527 ( 0.260 1.100 0.005) 1.131 7.670 ( -0.920 -1.144 -0.150) 1.476 7.670 ( -0.920 1.144 -0.150) 1.476 7.722 ( -0.776 -0.735 0.110) 1.075 7.722 ( -0.776 0.735 0.110) 1.075 ======================= Grid point 24 (15/35) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 18 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( 0.000 -2.223 0.000) 2.223 1.332 ( 0.000 2.223 -0.000) 2.223 1.385 ( 0.000 -1.673 0.000) 1.673 1.385 ( 0.000 1.673 -0.000) 1.673 1.468 ( 0.000 -4.271 0.000) 4.271 1.468 ( 0.000 4.271 0.000) 4.271 1.507 ( -0.000 -2.493 -0.000) 2.493 1.507 ( 0.000 2.493 -0.000) 2.493 1.621 ( -0.000 -1.009 0.000) 1.009 1.621 ( 0.000 1.009 0.000) 1.009 1.702 ( 0.000 -6.524 0.000) 6.524 1.702 ( 0.000 6.524 0.000) 6.524 1.806 ( 0.000 -0.355 0.000) 0.355 1.806 ( 0.000 0.355 -0.000) 0.355 1.895 ( 0.000 -0.977 0.000) 0.977 1.895 ( 0.000 0.977 -0.000) 0.977 1.914 ( -0.000 -3.779 0.000) 3.779 1.914 ( 0.000 3.779 -0.000) 3.779 2.041 ( 0.000 -2.725 0.000) 2.725 2.041 ( 0.000 2.725 0.000) 2.725 2.071 ( 0.000 -0.654 -0.000) 0.654 2.071 ( 0.000 0.654 -0.000) 0.654 2.212 ( 0.000 -1.641 0.000) 1.641 2.212 ( 0.000 1.641 0.000) 1.641 2.240 ( 0.000 -0.737 -0.000) 0.737 2.240 ( 0.000 0.737 0.000) 0.737 2.353 ( 0.000 -2.406 -0.000) 2.406 2.353 ( 0.000 2.406 0.000) 2.406 2.393 ( 0.000 -3.650 0.000) 3.650 2.393 ( 0.000 3.650 -0.000) 3.650 2.492 ( 0.000 -2.308 0.000) 2.308 2.492 ( 0.000 2.308 -0.000) 2.308 2.519 ( 0.000 -2.843 0.000) 2.843 2.519 ( -0.000 2.843 -0.000) 2.843 2.550 ( 0.000 -0.167 0.000) 0.167 2.550 ( 0.000 0.167 0.000) 0.167 2.568 ( -0.000 -3.513 -0.000) 3.513 2.568 ( 0.000 3.513 -0.000) 3.513 2.700 ( 0.000 -3.762 -0.000) 3.762 2.700 ( -0.000 3.762 0.000) 3.762 2.747 ( 0.000 -3.153 0.000) 3.153 2.747 ( -0.000 3.153 -0.000) 3.153 2.835 ( 0.000 -2.064 -0.000) 2.064 2.835 ( -0.000 2.064 -0.000) 2.064 2.881 ( 0.000 -4.904 0.000) 4.904 2.881 ( 0.000 4.904 -0.000) 4.904 2.965 ( 0.000 -2.182 0.000) 2.182 2.965 ( 0.000 2.182 -0.000) 2.182 3.053 ( 0.000 -1.118 -0.000) 1.118 3.053 ( -0.000 1.118 -0.000) 1.118 3.121 ( 0.000 -0.193 -0.000) 0.193 3.121 ( 0.000 0.193 0.000) 0.193 3.158 ( 0.000 -1.145 0.000) 1.145 3.158 ( 0.000 1.145 0.000) 1.145 3.208 ( 0.000 -1.377 -0.000) 1.377 3.208 ( 0.000 1.377 -0.000) 1.377 3.288 ( 0.000 -1.059 0.000) 1.059 3.288 ( 0.000 1.059 -0.000) 1.059 3.332 ( 0.000 -1.438 0.000) 1.438 3.332 ( -0.000 1.438 0.000) 1.438 3.372 ( -0.000 -0.650 -0.000) 0.650 3.372 ( 0.000 0.650 0.000) 0.650 3.410 ( 0.000 -0.774 0.000) 0.774 3.410 ( -0.000 0.774 -0.000) 0.774 3.541 ( 0.000 -2.420 -0.000) 2.420 3.541 ( 0.000 2.420 -0.000) 2.420 3.584 ( 0.000 -1.578 -0.000) 1.578 3.584 ( 0.000 1.578 0.000) 1.578 3.677 ( 0.000 -4.149 -0.000) 4.149 3.677 ( 0.000 4.149 0.000) 4.149 3.783 ( 0.000 -2.339 -0.000) 2.339 3.783 ( 0.000 2.339 -0.000) 2.339 3.834 ( 0.000 -0.941 0.000) 0.941 3.834 ( 0.000 0.941 -0.000) 0.941 3.852 ( 0.000 -1.557 0.000) 1.557 3.852 ( 0.000 1.557 -0.000) 1.557 4.008 ( 0.000 -1.618 0.000) 1.618 4.008 ( 0.000 1.618 0.000) 1.618 4.059 ( 0.000 -6.147 -0.000) 6.147 4.059 ( 0.000 6.147 0.000) 6.147 4.166 ( 0.000 -0.498 -0.000) 0.498 4.166 ( 0.000 0.498 0.000) 0.498 4.206 ( 0.000 -0.680 0.000) 0.680 4.206 ( 0.000 0.680 -0.000) 0.680 4.299 ( 0.000 -3.070 -0.000) 3.070 4.299 ( 0.000 3.070 0.000) 3.070 4.516 ( 0.000 -2.087 0.000) 2.087 4.516 ( 0.000 2.087 -0.000) 2.087 4.602 ( 0.000 -2.709 0.000) 2.709 4.602 ( 0.000 2.709 0.000) 2.709 4.684 ( -0.000 -0.700 -0.000) 0.700 4.684 ( 0.000 0.700 -0.000) 0.700 4.731 ( 0.000 -5.530 -0.000) 5.530 4.731 ( 0.000 5.530 0.000) 5.530 4.855 ( -0.000 -1.943 -0.000) 1.943 4.855 ( 0.000 1.943 -0.000) 1.943 4.898 ( 0.000 -0.228 -0.000) 0.228 4.898 ( -0.000 0.228 -0.000) 0.228 4.937 ( 0.000 -0.970 0.000) 0.970 4.937 ( 0.000 0.970 0.000) 0.970 5.102 ( 0.000 -0.899 -0.000) 0.899 5.102 ( 0.000 0.899 0.000) 0.899 5.131 ( 0.000 -1.747 -0.000) 1.747 5.131 ( 0.000 1.747 -0.000) 1.747 5.283 ( 0.000 -1.423 0.000) 1.423 5.283 ( 0.000 1.423 0.000) 1.423 5.420 ( 0.000 -1.261 0.000) 1.261 5.420 ( 0.000 1.261 0.000) 1.261 5.484 ( 0.000 -0.995 -0.000) 0.995 5.484 ( 0.000 0.995 -0.000) 0.995 5.552 ( -0.000 -2.245 0.000) 2.245 5.552 ( -0.000 2.245 0.000) 2.245 5.607 ( 0.000 -1.262 0.000) 1.262 5.607 ( -0.000 1.262 0.000) 1.262 5.653 ( 0.000 -1.612 0.000) 1.612 5.653 ( 0.000 1.612 -0.000) 1.612 5.840 ( 0.000 -1.977 0.000) 1.977 5.840 ( 0.000 1.977 0.000) 1.977 5.927 ( 0.000 -0.539 0.000) 0.539 5.927 ( 0.000 0.539 0.000) 0.539 5.978 ( 0.000 -1.756 -0.000) 1.756 5.978 ( 0.000 1.756 -0.000) 1.756 6.027 ( 0.000 -1.932 0.000) 1.932 6.027 ( 0.000 1.932 -0.000) 1.932 6.235 ( 0.000 -0.025 0.000) 0.025 6.235 ( 0.000 0.025 -0.000) 0.025 6.283 ( 0.000 -0.122 0.000) 0.122 6.283 ( 0.000 0.122 0.000) 0.122 6.362 ( 0.000 -0.777 -0.000) 0.777 6.362 ( 0.000 0.777 0.000) 0.777 6.472 ( 0.000 -0.171 -0.000) 0.171 6.472 ( -0.000 0.171 0.000) 0.171 6.549 ( 0.000 -1.332 0.000) 1.332 6.549 ( 0.000 1.332 0.000) 1.332 6.570 ( 0.000 -0.785 -0.000) 0.785 6.570 ( 0.000 0.785 -0.000) 0.785 6.695 ( 0.000 -0.438 -0.000) 0.438 6.695 ( 0.000 0.438 0.000) 0.438 6.715 ( 0.000 -0.261 -0.000) 0.261 6.715 ( 0.000 0.261 0.000) 0.261 6.760 ( 0.000 -0.552 0.000) 0.552 6.760 ( 0.000 0.552 -0.000) 0.552 6.836 ( 0.000 -1.232 0.000) 1.232 6.836 ( 0.000 1.232 0.000) 1.232 7.068 ( 0.000 -0.519 -0.000) 0.519 7.068 ( 0.000 0.519 0.000) 0.519 7.093 ( 0.000 -0.104 0.000) 0.104 7.093 ( -0.000 0.104 0.000) 0.104 7.105 ( 0.000 -1.432 0.000) 1.432 7.105 ( 0.000 1.432 0.000) 1.432 7.146 ( -0.000 -1.747 0.000) 1.747 7.146 ( 0.000 1.747 -0.000) 1.747 7.165 ( 0.000 -0.804 0.000) 0.804 7.165 ( 0.000 0.804 0.000) 0.804 7.191 ( 0.000 -0.864 0.000) 0.864 7.191 ( 0.000 0.864 0.000) 0.864 7.359 ( 0.000 -0.568 -0.000) 0.568 7.359 ( 0.000 0.568 0.000) 0.568 7.416 ( 0.000 -0.515 0.000) 0.515 7.416 ( 0.000 0.515 -0.000) 0.515 7.463 ( 0.000 -0.075 0.000) 0.075 7.463 ( 0.000 0.075 0.000) 0.075 7.531 ( 0.000 -0.095 0.000) 0.095 7.531 ( 0.000 0.095 0.000) 0.095 7.658 ( 0.000 -0.190 -0.000) 0.190 7.658 ( 0.000 0.190 0.000) 0.190 7.713 ( 0.000 -0.545 -0.000) 0.545 7.713 ( 0.000 0.545 -0.000) 0.545 ======================= Grid point 45 (16/35) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 35 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.382 ( 0.059 0.000 15.530) 15.530 0.467 ( -1.273 0.000 19.205) 19.247 0.696 ( -0.528 0.000 -9.673) 9.688 0.818 ( 3.765 0.000 31.451) 31.675 0.868 ( 1.614 0.000 -13.853) 13.947 1.227 ( -0.734 0.000 1.973) 2.105 1.312 ( 1.912 0.000 -4.244) 4.655 1.394 ( 2.122 0.000 -11.194) 11.393 1.518 ( -12.158 0.000 -0.096) 12.159 1.554 ( -5.047 0.000 -6.046) 7.876 1.565 ( 7.651 0.000 2.568) 8.071 1.622 ( 2.624 0.000 0.833) 2.754 1.649 ( 0.921 0.000 -3.521) 3.640 1.671 ( -5.845 0.000 -0.941) 5.920 1.778 ( 1.214 0.000 6.200) 6.318 1.807 ( 7.529 0.000 -0.960) 7.590 1.816 ( -6.185 0.000 1.244) 6.309 1.879 ( -1.912 0.000 1.872) 2.676 1.924 ( 0.200 0.000 0.564) 0.599 1.987 ( 3.697 0.000 -5.012) 6.228 2.100 ( 0.898 0.000 -0.328) 0.955 2.121 ( -1.381 0.000 -1.393) 1.961 2.135 ( -0.441 0.000 1.927) 1.977 2.162 ( 1.321 0.000 2.923) 3.207 2.191 ( -1.835 0.000 -1.938) 2.669 2.244 ( 0.516 0.000 0.486) 0.709 2.250 ( 0.552 0.000 -1.888) 1.967 2.254 ( 4.001 0.000 -2.777) 4.870 2.280 ( -0.217 0.000 2.516) 2.525 2.332 ( -0.430 0.000 0.283) 0.514 2.488 ( 3.039 0.000 -0.725) 3.124 2.492 ( 0.069 0.000 -1.049) 1.051 2.611 ( -2.532 0.000 0.653) 2.614 2.634 ( -0.298 0.000 -0.303) 0.425 2.637 ( -3.688 0.000 3.873) 5.348 2.696 ( -0.657 0.000 -0.670) 0.938 2.701 ( -2.536 0.000 -2.251) 3.391 2.735 ( 1.583 0.000 -1.736) 2.349 2.759 ( 1.806 0.000 0.267) 1.826 2.776 ( 5.537 0.000 -2.989) 6.292 2.836 ( 0.835 0.000 -1.712) 1.905 2.836 ( -3.650 0.000 -0.369) 3.669 2.895 ( 0.138 0.000 0.094) 0.167 2.907 ( -1.731 0.000 0.842) 1.925 2.978 ( -1.208 0.000 -1.729) 2.109 3.002 ( -1.027 0.000 5.281) 5.380 3.005 ( 0.363 0.000 -4.129) 4.145 3.021 ( 1.205 0.000 3.918) 4.100 3.054 ( 1.398 0.000 0.646) 1.540 3.116 ( 0.414 0.000 4.928) 4.945 3.126 ( -0.938 0.000 -2.490) 2.661 3.145 ( 1.995 0.000 -0.026) 1.995 3.190 ( -0.081 0.000 -3.349) 3.350 3.202 ( -3.500 0.000 0.081) 3.501 3.242 ( 2.055 0.000 0.678) 2.164 3.260 ( 0.940 0.000 0.384) 1.016 3.283 ( -1.050 0.000 2.498) 2.709 3.311 ( 0.723 0.000 -2.371) 2.479 3.340 ( -0.453 0.000 2.180) 2.227 3.344 ( 2.943 0.000 0.453) 2.978 3.392 ( -5.834 0.000 2.747) 6.449 3.399 ( -1.874 0.000 0.236) 1.889 3.440 ( 5.134 0.000 -2.356) 5.649 3.456 ( 0.312 0.000 -4.388) 4.399 3.536 ( -4.655 0.000 0.827) 4.728 3.600 ( 5.464 0.000 -1.579) 5.687 3.611 ( -2.475 0.000 1.767) 3.041 3.624 ( 1.869 0.000 -1.046) 2.142 3.720 ( -4.089 0.000 0.523) 4.122 3.726 ( 2.375 0.000 0.987) 2.572 3.776 ( -0.004 0.000 2.904) 2.904 3.794 ( 0.041 0.000 -0.190) 0.195 3.907 ( 0.405 0.000 0.796) 0.893 3.909 ( 0.345 0.000 0.239) 0.420 3.968 ( -0.848 0.000 0.476) 0.972 3.997 ( -1.138 0.000 0.394) 1.204 4.032 ( -0.031 0.000 0.805) 0.806 4.076 ( -0.622 0.000 -1.813) 1.916 4.106 ( 0.509 0.000 -1.439) 1.527 4.135 ( -0.673 0.000 -3.292) 3.360 4.196 ( -0.846 0.000 0.827) 1.183 4.236 ( 0.133 0.000 -0.455) 0.473 4.243 ( 0.562 0.000 0.344) 0.659 4.271 ( 4.548 0.000 -4.427) 6.347 4.323 ( -1.134 0.000 0.404) 1.204 4.328 ( 0.089 0.000 2.588) 2.589 4.417 ( 2.485 0.000 -2.192) 3.313 4.440 ( 0.619 0.000 0.625) 0.880 4.471 ( -0.229 0.000 3.621) 3.628 4.519 ( -0.006 0.000 -3.907) 3.907 4.643 ( -3.927 0.000 4.868) 6.255 4.705 ( -2.709 0.000 -1.919) 3.320 4.784 ( -3.150 0.000 2.209) 3.847 4.811 ( -3.657 0.000 -0.143) 3.660 4.821 ( 4.478 0.000 -1.663) 4.777 4.859 ( 0.720 0.000 3.678) 3.748 4.956 ( 3.257 0.000 -6.675) 7.427 4.964 ( 0.482 0.000 0.893) 1.015 4.998 ( 1.524 0.000 -0.862) 1.751 5.044 ( -2.084 0.000 -1.754) 2.723 5.062 ( 4.804 0.000 5.534) 7.328 5.124 ( 3.428 0.000 4.211) 5.429 5.194 ( -1.962 0.000 -0.519) 2.030 5.227 ( -6.573 0.000 -3.824) 7.604 5.279 ( 0.976 0.000 -0.367) 1.043 5.320 ( -2.933 0.000 -4.032) 4.986 5.468 ( 0.385 0.000 3.777) 3.796 5.541 ( 3.850 0.000 3.134) 4.964 5.551 ( -5.091 0.000 5.312) 7.358 5.574 ( -1.651 0.000 -4.445) 4.742 5.581 ( 1.873 0.000 1.514) 2.408 5.641 ( 0.194 0.000 -2.542) 2.550 5.655 ( -1.451 0.000 -1.341) 1.976 5.668 ( 2.512 0.000 -0.798) 2.636 5.752 ( 0.176 0.000 -0.033) 0.180 5.768 ( -1.247 0.000 -0.947) 1.566 5.861 ( 2.543 0.000 0.009) 2.543 5.865 ( -3.706 0.000 1.717) 4.084 5.926 ( 4.791 0.000 2.698) 5.498 5.986 ( -3.586 0.000 -0.334) 3.602 6.073 ( 0.339 0.000 -0.436) 0.553 6.076 ( 1.315 0.000 1.759) 2.196 6.101 ( -1.218 0.000 1.277) 1.765 6.168 ( -1.459 0.000 0.642) 1.594 6.177 ( -0.407 0.000 -2.495) 2.528 6.214 ( 2.495 0.000 -3.042) 3.935 6.257 ( 0.111 0.000 0.343) 0.361 6.264 ( -0.263 0.000 -0.190) 0.325 6.349 ( -1.969 0.000 0.705) 2.091 6.368 ( -0.578 0.000 -1.044) 1.193 6.384 ( -0.908 0.000 0.699) 1.146 6.405 ( 2.131 0.000 -0.623) 2.220 6.461 ( 1.459 0.000 1.027) 1.784 6.486 ( -1.050 0.000 -1.061) 1.493 6.543 ( -0.426 0.000 0.627) 0.759 6.557 ( 0.706 0.000 -0.339) 0.783 6.605 ( 0.398 0.000 1.490) 1.542 6.639 ( -0.049 0.000 -1.198) 1.198 6.658 ( -0.159 0.000 0.883) 0.897 6.678 ( 0.061 0.000 -0.825) 0.827 6.746 ( 2.240 0.000 1.130) 2.509 6.748 ( -1.283 0.000 1.287) 1.817 6.769 ( -0.510 0.000 -0.613) 0.797 6.780 ( 1.385 0.000 -1.152) 1.802 6.906 ( -0.459 0.000 0.327) 0.563 6.916 ( 0.303 0.000 -0.444) 0.537 6.989 ( 0.220 0.000 -0.091) 0.238 6.992 ( -0.377 0.000 -0.254) 0.455 7.065 ( -1.415 0.000 0.719) 1.588 7.084 ( 1.429 0.000 -0.680) 1.583 7.105 ( -1.326 0.000 0.597) 1.455 7.119 ( 1.574 0.000 -0.455) 1.639 7.142 ( 0.256 0.000 0.687) 0.734 7.155 ( -0.594 0.000 -0.146) 0.611 7.190 ( 1.194 0.000 0.656) 1.362 7.218 ( -1.224 0.000 -1.432) 1.884 7.269 ( -0.084 0.000 0.026) 0.088 7.271 ( 0.401 0.000 -0.107) 0.415 7.420 ( -0.124 0.000 0.177) 0.216 7.424 ( 0.162 0.000 -0.167) 0.233 7.479 ( -0.536 0.000 0.014) 0.536 7.481 ( 0.742 0.000 -0.165) 0.760 7.537 ( 0.333 0.000 2.593) 2.614 7.597 ( -1.107 0.000 -2.048) 2.328 7.659 ( 0.639 0.000 -0.126) 0.651 7.661 ( -0.409 0.000 -0.286) 0.499 7.693 ( -0.519 0.000 -0.019) 0.519 7.698 ( 2.814 0.000 -0.486) 2.855 ======================= Grid point 46 (17/35) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.569 ( 16.045 0.000 10.114) 18.967 0.636 ( 14.967 0.000 12.536) 19.523 0.815 ( 10.643 0.000 -8.830) 13.829 0.991 ( 7.732 0.000 -11.720) 14.041 1.076 ( 17.253 0.000 20.952) 27.142 1.138 ( -8.466 0.000 1.355) 8.573 1.152 ( -14.753 0.000 1.493) 14.828 1.333 ( -10.282 0.000 -3.863) 10.984 1.335 ( -4.157 0.000 -3.206) 5.250 1.451 ( 2.916 0.000 -11.726) 12.083 1.541 ( -5.982 0.000 4.120) 7.264 1.663 ( -1.949 0.000 2.891) 3.486 1.685 ( 0.513 0.000 0.841) 0.986 1.708 ( -2.174 0.000 0.013) 2.174 1.748 ( 3.375 0.000 -1.624) 3.745 1.828 ( 1.788 0.000 1.640) 2.426 1.839 ( 7.217 0.000 4.327) 8.414 1.925 ( -8.070 0.000 -3.624) 8.846 1.946 ( 4.128 0.000 0.275) 4.137 2.002 ( 5.963 0.000 -1.450) 6.136 2.084 ( 0.190 0.000 1.122) 1.138 2.120 ( -0.635 0.000 -1.698) 1.813 2.126 ( -0.724 0.000 -1.031) 1.260 2.209 ( 1.994 0.000 2.753) 3.399 2.209 ( 2.391 0.000 -1.645) 2.903 2.271 ( 2.364 0.000 0.111) 2.366 2.298 ( 0.446 0.000 -3.457) 3.485 2.301 ( 4.543 0.000 2.655) 5.262 2.342 ( 2.249 0.000 0.951) 2.442 2.347 ( 2.228 0.000 0.294) 2.247 2.441 ( -5.716 0.000 -1.227) 5.846 2.469 ( -4.221 0.000 -1.508) 4.482 2.517 ( -3.721 0.000 1.814) 4.139 2.562 ( -6.874 0.000 -1.511) 7.038 2.598 ( -2.778 0.000 0.408) 2.808 2.695 ( 3.581 0.000 0.546) 3.623 2.738 ( 3.327 0.000 -0.215) 3.334 2.742 ( 0.118 0.000 -2.380) 2.383 2.789 ( 1.257 0.000 1.373) 1.862 2.793 ( -0.115 0.000 -2.111) 2.114 2.803 ( 2.815 0.000 -2.115) 3.521 2.827 ( -4.521 0.000 -0.256) 4.528 2.891 ( -1.426 0.000 0.806) 1.638 2.896 ( 3.416 0.000 1.512) 3.735 2.948 ( -0.992 0.000 -3.010) 3.169 2.991 ( -3.318 0.000 1.137) 3.508 2.996 ( -0.445 0.000 4.275) 4.298 3.052 ( -1.975 0.000 -1.858) 2.712 3.060 ( 1.906 0.000 4.394) 4.789 3.065 ( -7.120 0.000 -0.681) 7.153 3.074 ( -1.486 0.000 0.376) 1.533 3.149 ( -0.999 0.000 -1.010) 1.421 3.179 ( -0.550 0.000 -1.028) 1.166 3.185 ( -0.242 0.000 -0.930) 0.961 3.242 ( -2.579 0.000 0.994) 2.764 3.263 ( 1.211 0.000 2.048) 2.379 3.270 ( -0.839 0.000 -0.127) 0.848 3.275 ( -2.327 0.000 -3.881) 4.525 3.334 ( 2.061 0.000 1.180) 2.375 3.370 ( 2.668 0.000 1.808) 3.223 3.406 ( 2.256 0.000 1.021) 2.477 3.428 ( -2.680 0.000 2.390) 3.591 3.440 ( 2.358 0.000 -3.047) 3.853 3.473 ( 1.396 0.000 -1.423) 1.993 3.480 ( -5.922 0.000 1.647) 6.147 3.559 ( 1.682 0.000 -4.256) 4.576 3.591 ( -5.465 0.000 3.268) 6.367 3.661 ( 1.686 0.000 -3.359) 3.758 3.683 ( 0.492 0.000 -1.742) 1.810 3.702 ( -3.958 0.000 0.483) 3.988 3.771 ( -1.852 0.000 -0.464) 1.910 3.785 ( 0.850 0.000 2.715) 2.845 3.872 ( -2.923 0.000 2.050) 3.570 3.890 ( -2.350 0.000 -0.897) 2.516 3.940 ( -2.547 0.000 0.828) 2.678 3.967 ( 1.041 0.000 0.745) 1.280 4.049 ( 2.022 0.000 0.520) 2.088 4.070 ( -1.427 0.000 -1.366) 1.975 4.131 ( 0.579 0.000 -1.548) 1.653 4.138 ( 0.814 0.000 0.505) 0.958 4.148 ( -2.609 0.000 3.496) 4.362 4.198 ( -2.870 0.000 -0.498) 2.913 4.225 ( -1.918 0.000 -3.269) 3.790 4.279 ( -1.839 0.000 -0.587) 1.930 4.334 ( -0.927 0.000 -6.016) 6.087 4.338 ( 1.034 0.000 -1.410) 1.748 4.442 ( -0.186 0.000 -2.853) 2.859 4.467 ( 3.499 0.000 -1.851) 3.959 4.535 ( 2.369 0.000 2.923) 3.763 4.587 ( 9.646 0.000 2.206) 9.895 4.629 ( 1.187 0.000 7.361) 7.456 4.655 ( -2.986 0.000 -0.003) 2.986 4.734 ( -1.854 0.000 -0.329) 1.883 4.737 ( -0.053 0.000 4.613) 4.614 4.887 ( 1.442 0.000 5.513) 5.698 4.892 ( 2.594 0.000 -0.876) 2.738 4.970 ( -1.332 0.000 2.324) 2.679 5.026 ( 0.111 0.000 -1.058) 1.064 5.033 ( -0.224 0.000 1.186) 1.207 5.061 ( 5.487 0.000 -2.916) 6.213 5.121 ( -0.651 0.000 -2.560) 2.641 5.123 ( -6.077 0.000 -5.322) 8.078 5.160 ( 5.620 0.000 4.840) 7.417 5.223 ( 3.520 0.000 1.763) 3.937 5.271 ( 2.818 0.000 0.097) 2.819 5.291 ( -2.660 0.000 -0.496) 2.706 5.375 ( -1.274 0.000 3.615) 3.833 5.465 ( -3.608 0.000 -0.177) 3.612 5.522 ( -2.627 0.000 2.870) 3.891 5.535 ( -3.106 0.000 0.511) 3.148 5.605 ( -1.358 0.000 -3.745) 3.984 5.664 ( 0.126 0.000 1.224) 1.230 5.666 ( 5.325 0.000 0.158) 5.328 5.736 ( -2.256 0.000 0.843) 2.408 5.753 ( -0.088 0.000 -0.496) 0.504 5.775 ( 1.282 0.000 2.815) 3.093 5.795 ( 3.764 0.000 -0.121) 3.766 5.878 ( -1.712 0.000 -2.913) 3.379 5.911 ( -1.981 0.000 1.521) 2.497 5.938 ( 0.586 0.000 -1.111) 1.256 6.034 ( -5.509 0.000 1.778) 5.789 6.038 ( -3.255 0.000 -0.172) 3.260 6.130 ( 3.232 0.000 1.181) 3.441 6.156 ( 0.607 0.000 0.107) 0.617 6.186 ( 1.250 0.000 -2.222) 2.550 6.219 ( -1.907 0.000 -1.207) 2.257 6.245 ( -1.376 0.000 0.634) 1.515 6.254 ( -0.286 0.000 0.266) 0.391 6.318 ( -0.741 0.000 0.471) 0.878 6.349 ( -1.399 0.000 -0.430) 1.464 6.371 ( -0.454 0.000 0.306) 0.547 6.423 ( -0.632 0.000 -0.453) 0.777 6.492 ( 0.005 0.000 -1.027) 1.027 6.497 ( -1.766 0.000 1.248) 2.162 6.563 ( 1.931 0.000 -0.446) 1.982 6.565 ( 0.893 0.000 -0.108) 0.899 6.622 ( 1.150 0.000 2.159) 2.446 6.643 ( 0.649 0.000 -1.297) 1.450 6.665 ( -0.039 0.000 1.352) 1.353 6.678 ( -0.301 0.000 -0.034) 0.303 6.750 ( 1.862 0.000 1.157) 2.193 6.797 ( 3.009 0.000 1.188) 3.235 6.826 ( 2.750 0.000 -1.287) 3.036 6.885 ( 1.228 0.000 -2.496) 2.782 6.911 ( -0.588 0.000 0.010) 0.588 6.917 ( 3.139 0.000 -4.574) 5.548 6.997 ( 0.678 0.000 -0.560) 0.880 7.003 ( 1.745 0.000 -1.094) 2.060 7.067 ( 1.035 0.000 -0.266) 1.069 7.072 ( -1.459 0.000 0.491) 1.539 7.120 ( 1.710 0.000 -0.166) 1.718 7.125 ( -0.580 0.000 0.636) 0.861 7.145 ( -0.122 0.000 0.584) 0.596 7.157 ( 0.541 0.000 -0.761) 0.934 7.208 ( 0.276 0.000 -1.179) 1.211 7.234 ( 3.270 0.000 0.223) 3.278 7.266 ( -0.235 0.000 -0.602) 0.646 7.275 ( 0.034 0.000 -0.244) 0.246 7.422 ( 0.298 0.000 0.123) 0.322 7.431 ( 0.327 0.000 -0.212) 0.389 7.468 ( -0.443 0.000 -0.302) 0.536 7.493 ( 0.489 0.000 -0.168) 0.517 7.545 ( 0.572 0.000 2.776) 2.834 7.569 ( -1.639 0.000 -0.846) 1.845 7.622 ( -3.227 0.000 -0.978) 3.372 7.653 ( -1.690 0.000 -0.696) 1.828 7.685 ( -0.153 0.000 -0.663) 0.680 7.689 ( -1.669 0.000 0.382) 1.713 ======================= Grid point 47 (18/35) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 35 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( -14.475 0.000 9.481) 17.304 0.860 ( -4.789 0.000 6.117) 7.769 0.909 ( 4.553 0.000 5.896) 7.449 0.933 ( 14.050 0.000 6.786) 15.603 1.066 ( 13.207 0.000 -8.097) 15.491 1.114 ( -13.073 0.000 -6.680) 14.681 1.123 ( -0.316 0.000 -10.571) 10.576 1.145 ( -2.196 0.000 -10.422) 10.651 1.461 ( 6.738 0.000 7.201) 9.862 1.500 ( -10.524 0.000 8.099) 13.280 1.588 ( 3.956 0.000 -0.510) 3.989 1.607 ( 1.163 0.000 1.291) 1.738 1.638 ( 4.463 0.000 2.348) 5.043 1.658 ( -2.393 0.000 -0.984) 2.587 1.709 ( -2.208 0.000 3.980) 4.552 1.807 ( 2.103 0.000 -4.447) 4.919 1.904 ( 3.800 0.000 2.652) 4.634 1.943 ( -2.081 0.000 0.577) 2.160 2.024 ( 2.412 0.000 0.629) 2.493 2.083 ( -3.089 0.000 -3.832) 4.922 2.099 ( 1.223 0.000 -1.951) 2.302 2.103 ( -0.381 0.000 -2.504) 2.532 2.156 ( -6.785 0.000 -1.040) 6.864 2.158 ( 6.104 0.000 -1.338) 6.249 2.210 ( -1.523 0.000 3.581) 3.891 2.289 ( 2.680 0.000 -2.328) 3.550 2.315 ( -7.219 0.000 1.794) 7.439 2.331 ( -4.689 0.000 2.979) 5.556 2.342 ( 2.292 0.000 0.170) 2.298 2.376 ( -3.096 0.000 1.504) 3.442 2.382 ( 3.595 0.000 3.501) 5.018 2.405 ( 5.508 0.000 1.195) 5.636 2.433 ( -2.905 0.000 -1.015) 3.077 2.485 ( 0.253 0.000 -3.359) 3.369 2.622 ( 2.905 0.000 1.503) 3.271 2.686 ( -1.937 0.000 -2.522) 3.180 2.787 ( 2.968 0.000 0.210) 2.975 2.787 ( 1.484 0.000 -1.268) 1.952 2.794 ( 1.010 0.000 -0.928) 1.372 2.797 ( -6.001 0.000 0.602) 6.031 2.847 ( -5.588 0.000 0.512) 5.611 2.860 ( 4.373 0.000 -1.475) 4.615 2.892 ( -3.147 0.000 -0.235) 3.156 2.893 ( -1.835 0.000 2.819) 3.363 2.907 ( 4.701 0.000 -1.977) 5.100 2.935 ( 6.859 0.000 -1.988) 7.141 2.959 ( 1.278 0.000 -1.701) 2.128 3.028 ( -1.725 0.000 -2.744) 3.241 3.050 ( -0.028 0.000 -0.791) 0.792 3.050 ( 1.185 0.000 2.056) 2.373 3.088 ( -1.298 0.000 0.802) 1.526 3.123 ( -1.817 0.000 1.446) 2.322 3.128 ( 0.453 0.000 -0.977) 1.077 3.184 ( 1.177 0.000 0.692) 1.365 3.201 ( -1.055 0.000 -0.045) 1.056 3.220 ( -2.262 0.000 -4.286) 4.847 3.264 ( -2.458 0.000 3.150) 3.995 3.284 ( -0.033 0.000 1.001) 1.002 3.368 ( 0.435 0.000 4.494) 4.515 3.374 ( -2.319 0.000 3.870) 4.512 3.430 ( -1.657 0.000 1.115) 1.997 3.436 ( -1.585 0.000 -1.183) 1.978 3.446 ( 2.472 0.000 -1.919) 3.129 3.472 ( 8.209 0.000 2.282) 8.520 3.483 ( 2.271 0.000 -2.284) 3.221 3.533 ( -1.389 0.000 0.411) 1.449 3.573 ( 0.787 0.000 -2.521) 2.641 3.585 ( -5.437 0.000 -5.628) 7.826 3.723 ( -3.639 0.000 -1.028) 3.781 3.725 ( 4.343 0.000 0.590) 4.383 3.732 ( 3.628 0.000 -1.859) 4.077 3.752 ( -5.008 0.000 -0.512) 5.034 3.860 ( 1.448 0.000 0.481) 1.526 3.863 ( 1.070 0.000 1.665) 1.979 3.943 ( 2.040 0.000 -0.196) 2.049 3.951 ( -2.486 0.000 0.937) 2.656 4.052 ( 1.336 0.000 1.465) 1.983 4.066 ( -0.447 0.000 -0.587) 0.738 4.122 ( -3.162 0.000 1.136) 3.360 4.137 ( 0.598 0.000 2.615) 2.683 4.155 ( 1.123 0.000 1.746) 2.076 4.170 ( 0.747 0.000 0.093) 0.753 4.184 ( -1.200 0.000 -4.184) 4.353 4.252 ( -1.624 0.000 -6.061) 6.274 4.300 ( 0.909 0.000 -1.005) 1.355 4.362 ( 1.098 0.000 -4.709) 4.835 4.458 ( 0.213 0.000 -0.531) 0.572 4.484 ( -3.923 0.000 -2.771) 4.803 4.557 ( 0.182 0.000 5.480) 5.483 4.646 ( 1.894 0.000 -2.216) 2.915 4.648 ( 0.203 0.000 4.838) 4.842 4.689 ( 2.006 0.000 -0.144) 2.011 4.771 ( 2.014 0.000 3.744) 4.251 4.805 ( 5.995 0.000 3.891) 7.147 4.894 ( -1.037 0.000 3.710) 3.852 4.934 ( 0.896 0.000 -1.408) 1.669 4.948 ( 0.807 0.000 7.663) 7.706 4.966 ( -3.310 0.000 2.065) 3.901 5.010 ( -1.720 0.000 0.555) 1.807 5.021 ( -3.414 0.000 -3.281) 4.735 5.135 ( -9.714 0.000 -2.311) 9.985 5.163 ( 5.529 0.000 2.147) 5.931 5.193 ( 3.627 0.000 -1.211) 3.824 5.226 ( -2.153 0.000 -1.646) 2.710 5.273 ( 5.778 0.000 4.918) 7.587 5.371 ( 3.139 0.000 -1.190) 3.357 5.382 ( -4.461 0.000 -0.597) 4.501 5.413 ( -1.224 0.000 -3.440) 3.651 5.488 ( 1.431 0.000 1.014) 1.754 5.490 ( 1.183 0.000 -0.557) 1.307 5.613 ( 2.539 0.000 -0.003) 2.539 5.638 ( -4.424 0.000 -1.549) 4.687 5.657 ( -4.046 0.000 4.036) 5.715 5.737 ( -1.352 0.000 2.181) 2.566 5.758 ( 1.409 0.000 -2.002) 2.448 5.783 ( 2.269 0.000 -3.282) 3.990 5.831 ( -3.814 0.000 0.022) 3.814 5.886 ( 4.766 0.000 -3.849) 6.126 5.943 ( -5.040 0.000 0.473) 5.062 5.944 ( 4.456 0.000 0.876) 4.541 5.960 ( -0.391 0.000 0.700) 0.801 5.984 ( 2.396 0.000 -0.802) 2.526 6.153 ( -3.520 0.000 1.934) 4.017 6.168 ( -1.469 0.000 1.906) 2.406 6.173 ( 1.284 0.000 0.088) 1.287 6.216 ( 0.919 0.000 -1.751) 1.978 6.229 ( 1.419 0.000 1.511) 2.073 6.249 ( -0.355 0.000 -0.307) 0.469 6.318 ( 0.539 0.000 -0.347) 0.641 6.329 ( -0.184 0.000 -0.832) 0.852 6.378 ( 1.308 0.000 0.740) 1.503 6.395 ( -1.402 0.000 -0.901) 1.667 6.467 ( -0.849 0.000 1.318) 1.567 6.500 ( 0.941 0.000 -1.143) 1.480 6.575 ( -0.162 0.000 0.070) 0.176 6.577 ( -0.297 0.000 -0.049) 0.301 6.626 ( -0.763 0.000 2.047) 2.184 6.656 ( 0.361 0.000 -0.738) 0.822 6.661 ( 0.013 0.000 1.027) 1.027 6.679 ( 0.636 0.000 -0.144) 0.652 6.785 ( 1.004 0.000 1.974) 2.214 6.838 ( 0.134 0.000 2.798) 2.801 6.845 ( -1.435 0.000 -2.525) 2.905 6.897 ( 0.718 0.000 -0.315) 0.784 6.903 ( -0.118 0.000 0.228) 0.256 6.931 ( 0.074 0.000 -2.458) 2.459 7.010 ( 0.543 0.000 -0.671) 0.863 7.017 ( -0.790 0.000 -2.120) 2.262 7.055 ( -0.262 0.000 0.987) 1.021 7.085 ( 0.597 0.000 -1.325) 1.453 7.126 ( 0.499 0.000 0.739) 0.892 7.137 ( -0.488 0.000 -0.143) 0.508 7.142 ( 0.433 0.000 0.490) 0.654 7.159 ( -0.178 0.000 -0.897) 0.914 7.222 ( 0.987 0.000 0.264) 1.021 7.260 ( -0.831 0.000 -1.995) 2.161 7.269 ( -0.549 0.000 -0.845) 1.007 7.276 ( -0.012 0.000 -0.354) 0.355 7.427 ( 0.066 0.000 0.083) 0.106 7.431 ( -0.184 0.000 -0.371) 0.414 7.478 ( 1.653 0.000 0.324) 1.684 7.486 ( -1.290 0.000 -0.289) 1.322 7.541 ( -0.848 0.000 1.509) 1.731 7.555 ( -1.088 0.000 1.517) 1.867 7.586 ( 1.729 0.000 -0.607) 1.833 7.616 ( -1.106 0.000 -1.644) 1.982 7.674 ( -0.394 0.000 0.530) 0.660 7.687 ( 0.334 0.000 -0.511) 0.610 ======================= Grid point 49 (19/35) ======================= q-point: (-0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.562 ( -15.469 0.000 10.228) 18.545 0.581 ( -8.409 0.000 16.299) 18.340 0.845 ( -11.728 0.000 -7.081) 13.700 0.951 ( -7.939 0.000 -11.974) 14.367 1.029 ( -23.058 0.000 17.453) 28.919 1.148 ( 8.543 0.000 2.407) 8.875 1.206 ( 8.297 0.000 -0.963) 8.353 1.289 ( 8.390 0.000 -5.462) 10.011 1.311 ( 12.932 0.000 0.124) 12.932 1.553 ( -0.911 0.000 -9.621) 9.664 1.604 ( 8.830 0.000 3.505) 9.500 1.629 ( -1.373 0.000 -3.116) 3.405 1.688 ( 1.559 0.000 2.911) 3.302 1.718 ( -0.301 0.000 2.454) 2.473 1.777 ( -0.594 0.000 -2.393) 2.466 1.782 ( -3.929 0.000 1.155) 4.095 1.900 ( 0.437 0.000 -0.152) 0.463 1.925 ( -5.069 0.000 -2.393) 5.606 1.955 ( -6.777 0.000 2.224) 7.132 1.980 ( -4.709 0.000 -3.370) 5.791 2.078 ( 6.250 0.000 1.370) 6.399 2.104 ( -1.627 0.000 -0.630) 1.745 2.144 ( 1.952 0.000 -2.081) 2.853 2.170 ( -1.664 0.000 2.525) 3.024 2.177 ( -2.248 0.000 1.686) 2.810 2.247 ( -3.802 0.000 5.443) 6.639 2.271 ( -1.647 0.000 0.101) 1.650 2.299 ( -1.823 0.000 -3.444) 3.896 2.345 ( -3.815 0.000 -0.532) 3.852 2.354 ( -1.351 0.000 3.165) 3.441 2.406 ( 3.591 0.000 -1.249) 3.802 2.454 ( 3.286 0.000 2.402) 4.070 2.545 ( 5.577 0.000 -2.695) 6.194 2.565 ( 9.362 0.000 -1.789) 9.531 2.672 ( 0.705 0.000 -3.620) 3.688 2.682 ( 2.039 0.000 3.015) 3.640 2.712 ( -0.155 0.000 0.211) 0.262 2.755 ( -2.648 0.000 0.514) 2.697 2.767 ( -4.405 0.000 -2.159) 4.906 2.772 ( -4.177 0.000 0.025) 4.177 2.809 ( 0.374 0.000 -1.483) 1.530 2.849 ( 0.340 0.000 -1.137) 1.186 2.881 ( 3.864 0.000 0.028) 3.864 2.944 ( -3.143 0.000 -2.644) 4.107 2.970 ( 2.118 0.000 3.894) 4.433 3.002 ( 0.109 0.000 -4.449) 4.451 3.009 ( -0.545 0.000 1.805) 1.886 3.034 ( 1.304 0.000 -0.129) 1.310 3.045 ( -1.325 0.000 1.009) 1.666 3.069 ( 4.528 0.000 1.052) 4.648 3.108 ( 3.246 0.000 2.581) 4.147 3.144 ( 0.233 0.000 -0.059) 0.240 3.156 ( 5.520 0.000 2.148) 5.923 3.186 ( 0.433 0.000 -4.157) 4.179 3.201 ( -0.765 0.000 2.805) 2.907 3.201 ( 1.734 0.000 -1.421) 2.242 3.279 ( 0.676 0.000 0.645) 0.934 3.282 ( 4.829 0.000 0.069) 4.830 3.352 ( -5.074 0.000 2.309) 5.574 3.369 ( -0.515 0.000 0.650) 0.830 3.388 ( 1.056 0.000 2.744) 2.940 3.419 ( 1.421 0.000 -1.878) 2.355 3.453 ( -2.216 0.000 0.245) 2.230 3.486 ( -1.025 0.000 0.323) 1.074 3.531 ( -0.258 0.000 -4.293) 4.301 3.571 ( 3.269 0.000 -4.393) 5.476 3.585 ( 1.184 0.000 0.999) 1.549 3.615 ( -0.225 0.000 0.727) 0.761 3.666 ( -0.156 0.000 -0.711) 0.728 3.724 ( 5.495 0.000 0.383) 5.508 3.772 ( -0.258 0.000 -0.467) 0.534 3.786 ( 1.332 0.000 1.905) 2.325 3.886 ( 1.098 0.000 0.067) 1.100 3.899 ( 1.476 0.000 0.417) 1.534 3.951 ( 2.201 0.000 1.224) 2.519 3.980 ( 1.101 0.000 2.159) 2.423 4.042 ( -1.441 0.000 0.840) 1.668 4.081 ( 0.809 0.000 -0.005) 0.809 4.083 ( 1.230 0.000 -3.138) 3.370 4.147 ( -0.082 0.000 -1.393) 1.395 4.166 ( 1.749 0.000 1.015) 2.022 4.194 ( 1.987 0.000 -0.626) 2.083 4.205 ( 2.203 0.000 2.207) 3.118 4.240 ( 0.329 0.000 -4.456) 4.468 4.349 ( 0.392 0.000 -0.506) 0.640 4.357 ( -2.511 0.000 -0.798) 2.634 4.402 ( -1.793 0.000 -3.558) 3.984 4.427 ( -0.539 0.000 0.148) 0.559 4.530 ( -2.327 0.000 3.735) 4.400 4.582 ( -7.129 0.000 1.007) 7.200 4.698 ( 5.406 0.000 0.504) 5.430 4.752 ( -4.901 0.000 1.289) 5.068 4.760 ( -0.323 0.000 -2.829) 2.848 4.822 ( 1.319 0.000 -1.732) 2.177 4.849 ( -2.274 0.000 3.625) 4.279 4.887 ( -5.383 0.000 5.223) 7.501 4.970 ( -0.553 0.000 -1.607) 1.700 4.980 ( 1.200 0.000 1.724) 2.101 4.983 ( -0.357 0.000 -0.064) 0.362 5.003 ( -2.472 0.000 -2.536) 3.541 5.021 ( 3.502 0.000 5.863) 6.829 5.154 ( -4.696 0.000 -4.231) 6.321 5.219 ( -0.395 0.000 0.867) 0.953 5.277 ( 4.249 0.000 -0.282) 4.258 5.288 ( -2.749 0.000 -1.228) 3.011 5.343 ( -0.965 0.000 -2.447) 2.630 5.387 ( 5.342 0.000 4.879) 7.235 5.447 ( 3.474 0.000 4.869) 5.981 5.513 ( -2.770 0.000 -3.320) 4.324 5.536 ( 2.800 0.000 1.195) 3.044 5.592 ( 5.327 0.000 -1.335) 5.492 5.653 ( 0.532 0.000 1.030) 1.159 5.653 ( 1.672 0.000 1.448) 2.212 5.717 ( -6.942 0.000 1.474) 7.096 5.740 ( 2.661 0.000 2.764) 3.837 5.771 ( -1.913 0.000 1.136) 2.225 5.796 ( -0.794 0.000 0.288) 0.845 5.828 ( -1.234 0.000 -2.501) 2.788 5.933 ( -1.301 0.000 0.032) 1.302 5.997 ( 3.438 0.000 -3.302) 4.767 6.037 ( 3.352 0.000 0.388) 3.374 6.057 ( 1.113 0.000 1.268) 1.688 6.124 ( -2.014 0.000 2.161) 2.954 6.134 ( 3.878 0.000 -1.792) 4.273 6.186 ( -0.075 0.000 1.278) 1.280 6.199 ( -1.717 0.000 -2.011) 2.644 6.254 ( 0.374 0.000 0.480) 0.609 6.256 ( 0.615 0.000 -0.263) 0.669 6.342 ( 1.618 0.000 0.210) 1.632 6.348 ( 2.006 0.000 -1.423) 2.460 6.385 ( 0.096 0.000 -1.017) 1.022 6.397 ( -0.061 0.000 1.653) 1.654 6.481 ( 2.034 0.000 0.039) 2.034 6.524 ( 1.236 0.000 -0.722) 1.431 6.548 ( -2.609 0.000 0.573) 2.671 6.559 ( -1.413 0.000 0.034) 1.413 6.608 ( -0.751 0.000 1.538) 1.711 6.655 ( -0.493 0.000 -0.597) 0.775 6.664 ( 0.043 0.000 0.965) 0.966 6.693 ( 0.346 0.000 -0.303) 0.460 6.778 ( -1.521 0.000 2.047) 2.550 6.795 ( -2.841 0.000 -2.256) 3.628 6.807 ( -2.621 0.000 1.462) 3.001 6.882 ( -6.387 0.000 -6.381) 9.029 6.906 ( 0.417 0.000 -0.341) 0.539 6.911 ( -0.869 0.000 -0.483) 0.995 6.995 ( -0.956 0.000 -0.490) 1.075 7.008 ( -0.854 0.000 -0.457) 0.969 7.061 ( 0.853 0.000 0.275) 0.896 7.090 ( 0.477 0.000 -1.311) 1.395 7.117 ( -2.146 0.000 -0.281) 2.164 7.125 ( -0.763 0.000 0.296) 0.818 7.142 ( -0.251 0.000 0.500) 0.559 7.162 ( 0.288 0.000 -0.853) 0.901 7.195 ( -3.103 0.000 -0.628) 3.166 7.237 ( 0.032 0.000 -0.072) 0.079 7.267 ( -0.492 0.000 -0.488) 0.693 7.268 ( 0.186 0.000 0.238) 0.302 7.425 ( -0.242 0.000 0.195) 0.311 7.426 ( -0.275 0.000 -0.232) 0.360 7.470 ( 0.047 0.000 -0.380) 0.383 7.489 ( -0.498 0.000 0.288) 0.575 7.537 ( -0.440 0.000 1.604) 1.663 7.586 ( 5.023 0.000 2.176) 5.474 7.609 ( -0.017 0.000 -1.816) 1.816 7.639 ( 2.563 0.000 0.241) 2.575 7.669 ( -0.067 0.000 0.518) 0.523 7.694 ( 0.307 0.000 -0.226) 0.381 ======================= Grid point 50 (20/35) ======================= q-point: ( 0.00 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.596 ( 2.437 13.788 12.962) 19.080 0.624 ( -3.417 12.688 14.920) 19.881 0.869 ( -0.921 13.125 -8.354) 15.586 0.956 ( 1.684 8.493 -12.115) 14.891 1.008 ( 2.614 19.773 18.602) 27.273 1.278 ( -0.207 5.562 1.856) 5.867 1.334 ( 2.813 4.605 -2.759) 6.061 1.404 ( -1.092 -0.164 -9.353) 9.417 1.539 ( 3.604 1.702 0.516) 4.019 1.559 ( -14.933 3.674 -0.911) 15.405 1.588 ( 6.335 2.209 1.356) 6.844 1.631 ( -1.618 -0.321 1.072) 1.968 1.649 ( 3.373 2.615 -1.926) 4.682 1.664 ( -2.413 -0.581 -0.681) 2.574 1.758 ( -1.453 -1.118 2.515) 3.112 1.784 ( -0.486 -0.714 -0.688) 1.104 1.808 ( 0.782 -0.740 2.117) 2.375 1.893 ( 2.386 -2.430 -0.245) 3.414 1.938 ( 0.918 2.066 0.314) 2.282 1.974 ( -2.553 -0.205 -3.018) 3.958 2.079 ( 2.121 -1.223 2.975) 3.853 2.111 ( -1.330 0.648 0.415) 1.537 2.152 ( 1.784 -0.984 -2.170) 2.976 2.165 ( -1.819 -2.211 -0.755) 2.961 2.209 ( 0.798 2.353 -0.675) 2.575 2.224 ( 0.380 -0.712 -4.420) 4.493 2.243 ( 0.904 0.017 1.180) 1.486 2.301 ( 0.901 0.923 -2.385) 2.712 2.321 ( -2.059 1.223 1.484) 2.817 2.343 ( 0.556 3.800 -0.917) 3.948 2.479 ( 0.941 1.076 1.598) 2.144 2.526 ( 0.892 0.724 -1.353) 1.775 2.621 ( 0.430 0.456 1.590) 1.709 2.627 ( 3.740 0.032 0.184) 3.745 2.639 ( -4.633 -0.585 2.659) 5.374 2.676 ( -1.156 -2.295 -1.412) 2.932 2.694 ( 1.620 -3.462 -1.351) 4.054 2.709 ( -2.100 -1.271 -1.488) 2.870 2.762 ( -0.302 1.555 1.717) 2.336 2.793 ( 1.594 1.843 0.129) 2.440 2.818 ( -1.915 -3.025 -0.809) 3.671 2.831 ( -1.047 -1.309 -3.672) 4.036 2.860 ( -2.541 0.452 -1.412) 2.942 2.905 ( 5.774 -0.200 -2.442) 6.272 2.937 ( 0.290 -4.777 3.201) 5.758 2.962 ( 0.253 -3.544 2.473) 4.329 2.989 ( 0.438 0.388 -1.252) 1.381 3.024 ( 0.100 -4.038 -2.488) 4.744 3.064 ( -1.121 -1.095 1.697) 2.310 3.099 ( 1.049 0.837 -1.025) 1.689 3.118 ( -1.715 -0.749 1.899) 2.666 3.143 ( 0.998 -0.910 -0.383) 1.403 3.160 ( 0.644 -2.599 2.089) 3.396 3.197 ( -1.371 0.667 -2.055) 2.558 3.221 ( 0.327 -3.228 0.660) 3.311 3.255 ( 0.233 -3.115 -1.926) 3.670 3.284 ( -1.392 1.239 3.225) 3.724 3.296 ( 0.968 -0.358 1.540) 1.854 3.322 ( 0.208 1.555 -0.115) 1.573 3.361 ( -1.110 0.958 0.721) 1.634 3.384 ( -0.869 0.897 -1.410) 1.883 3.407 ( -0.922 0.871 0.881) 1.544 3.455 ( 1.099 1.599 -2.046) 2.820 3.460 ( 1.673 0.188 -3.795) 4.152 3.537 ( -4.997 -0.517 0.468) 5.045 3.585 ( 3.570 -1.043 -2.623) 4.551 3.617 ( 2.887 0.595 2.319) 3.751 3.662 ( -0.426 0.715 -1.003) 1.303 3.712 ( -0.887 0.115 4.180) 4.275 3.745 ( -0.603 1.357 2.335) 2.767 3.771 ( 1.958 0.040 1.804) 2.663 3.786 ( -1.031 -1.003 0.741) 1.618 3.884 ( -0.363 -2.308 1.215) 2.633 3.903 ( -0.776 0.065 -0.897) 1.188 3.958 ( -1.218 -0.768 0.190) 1.452 3.983 ( 1.070 -1.667 -0.646) 2.083 4.022 ( 1.006 -0.886 1.447) 1.973 4.037 ( 2.393 -3.686 0.537) 4.427 4.069 ( -1.837 -4.830 -2.021) 5.549 4.114 ( -3.114 1.391 -4.783) 5.874 4.181 ( 0.723 -1.522 1.332) 2.148 4.249 ( -0.364 1.282 -0.125) 1.338 4.256 ( -1.374 0.596 0.944) 1.770 4.286 ( 2.877 0.473 -3.433) 4.504 4.307 ( 0.819 -0.107 -1.349) 1.582 4.325 ( 1.651 -0.812 0.717) 1.975 4.404 ( -1.391 -0.508 -1.499) 2.107 4.418 ( 2.017 -1.246 1.513) 2.813 4.472 ( 0.301 -0.491 2.820) 2.878 4.528 ( -1.775 0.493 -3.520) 3.973 4.628 ( -3.603 -1.776 5.256) 6.615 4.721 ( -2.328 1.433 -2.274) 3.556 4.776 ( 0.739 -2.654 -1.074) 2.957 4.797 ( -1.377 1.073 1.018) 2.021 4.827 ( -2.707 -0.106 -1.422) 3.060 4.867 ( 2.016 0.513 2.813) 3.498 4.924 ( 2.588 -2.077 -3.717) 4.983 4.962 ( 1.701 -0.916 -1.387) 2.379 4.998 ( 2.405 0.679 0.104) 2.501 5.053 ( -3.161 1.058 -0.855) 3.441 5.067 ( 3.652 0.353 6.393) 7.371 5.122 ( 3.980 -0.079 3.569) 5.346 5.190 ( -2.518 -0.482 -0.695) 2.657 5.226 ( -5.132 -1.168 -3.638) 6.398 5.297 ( -1.356 0.746 0.218) 1.563 5.316 ( -0.287 0.676 -0.385) 0.829 5.445 ( -1.485 -3.469 3.471) 5.127 5.456 ( 4.937 -4.496 4.289) 7.936 5.506 ( 1.385 -3.661 1.053) 4.054 5.537 ( -6.423 -2.012 3.657) 7.660 5.550 ( 0.832 -2.938 1.156) 3.265 5.606 ( 0.752 -2.021 -2.123) 3.026 5.620 ( -0.213 -2.639 0.647) 2.726 5.657 ( 2.348 -1.142 -1.371) 2.949 5.741 ( 0.147 -0.835 -0.590) 1.033 5.749 ( -0.915 -1.785 -0.694) 2.122 5.806 ( 2.062 -0.785 5.642) 6.058 5.854 ( 2.680 -0.017 0.401) 2.710 5.900 ( -1.196 -0.239 -0.818) 1.468 5.960 ( -2.273 -2.293 -2.906) 4.343 6.053 ( -0.839 -0.875 1.298) 1.776 6.090 ( 2.394 0.034 0.168) 2.400 6.118 ( -2.624 0.934 1.833) 3.335 6.177 ( -0.274 1.516 0.508) 1.623 6.191 ( 1.218 -1.450 -1.198) 2.241 6.210 ( -0.046 1.909 -3.133) 3.669 6.260 ( 0.348 0.315 0.372) 0.599 6.270 ( -0.361 0.159 -0.288) 0.489 6.369 ( 0.089 1.205 0.181) 1.221 6.386 ( -0.136 1.508 -1.319) 2.008 6.397 ( -0.905 1.527 1.358) 2.235 6.434 ( -0.578 0.866 -1.475) 1.805 6.471 ( 2.788 0.995 0.821) 3.072 6.495 ( -1.261 0.566 -0.956) 1.681 6.556 ( -0.489 0.814 0.672) 1.163 6.571 ( 0.975 0.323 -0.497) 1.141 6.614 ( 0.320 1.032 1.140) 1.571 6.644 ( -0.263 0.477 -1.031) 1.166 6.666 ( -0.835 0.979 0.730) 1.479 6.684 ( 0.222 0.814 -0.692) 1.091 6.743 ( -1.008 -0.452 0.118) 1.111 6.754 ( 0.966 -0.086 0.815) 1.266 6.759 ( 0.273 -0.853 -0.564) 1.058 6.785 ( -0.209 0.745 -0.804) 1.116 6.916 ( -0.318 1.141 0.164) 1.196 6.919 ( 0.224 0.671 -0.026) 0.708 7.001 ( 0.295 1.409 0.226) 1.457 7.016 ( -0.055 2.063 -1.086) 2.332 7.070 ( -0.747 0.390 0.970) 1.285 7.095 ( 0.914 -0.002 -1.121) 1.446 7.113 ( -0.100 0.839 0.404) 0.936 7.124 ( 0.425 0.624 -0.390) 0.850 7.161 ( -0.592 1.576 0.640) 1.801 7.172 ( 0.188 1.201 -0.333) 1.260 7.207 ( -0.077 2.018 1.408) 2.462 7.252 ( 0.386 1.586 -2.153) 2.702 7.292 ( 0.028 2.250 0.445) 2.294 7.304 ( -0.018 2.901 -0.484) 2.941 7.427 ( -0.221 -0.025 0.195) 0.295 7.438 ( -0.131 0.294 -0.970) 1.022 7.470 ( 0.508 -0.669 0.347) 0.909 7.487 ( -0.355 0.674 -0.885) 1.168 7.545 ( 0.271 0.413 2.267) 2.320 7.592 ( -0.194 -2.349 1.725) 2.921 7.600 ( -0.643 -1.383 -1.528) 2.159 7.635 ( 0.568 -1.493 -1.514) 2.201 7.688 ( -0.483 -0.467 1.439) 1.588 7.745 ( 1.242 1.097 -3.570) 3.936 ======================= Grid point 51 (21/35) ======================= q-point: ( 0.25 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( 10.179 7.355 11.704) 17.167 0.746 ( 12.226 14.222 7.753) 20.294 0.934 ( 5.777 7.961 -9.400) 13.605 1.063 ( 7.626 9.103 -8.917) 14.850 1.184 ( -5.192 6.901 2.112) 8.890 1.202 ( -4.891 8.841 7.577) 12.629 1.241 ( 3.045 10.472 7.492) 13.231 1.306 ( -8.273 -1.066 -3.146) 8.915 1.384 ( -4.974 4.842 -3.875) 7.950 1.465 ( 1.401 1.533 -5.825) 6.184 1.562 ( -2.755 2.731 4.402) 5.867 1.671 ( -2.503 0.450 -1.048) 2.750 1.685 ( -1.117 0.316 1.015) 1.542 1.724 ( -0.213 1.278 1.997) 2.380 1.778 ( 7.134 3.112 -0.285) 7.788 1.835 ( 9.373 1.002 1.656) 9.571 1.893 ( -0.407 2.812 -0.094) 2.843 1.916 ( -0.633 -0.404 -0.426) 0.863 1.928 ( 1.432 -1.108 -2.457) 3.052 1.978 ( 3.864 -1.188 0.145) 4.045 2.091 ( -0.344 -0.642 0.990) 1.228 2.126 ( 1.375 -0.404 0.408) 1.490 2.176 ( 2.337 -0.980 0.612) 2.607 2.187 ( -2.718 4.609 -1.915) 5.683 2.203 ( 3.112 -0.738 -0.800) 3.297 2.249 ( 2.435 -3.938 -2.344) 5.190 2.274 ( -1.693 -2.080 0.421) 2.715 2.301 ( 3.802 -0.376 -0.480) 3.850 2.333 ( 2.072 1.332 2.445) 3.470 2.372 ( 1.066 2.229 -0.046) 2.471 2.437 ( -3.908 1.790 -0.851) 4.381 2.484 ( -3.658 -0.276 -1.769) 4.072 2.523 ( -5.935 0.819 1.496) 6.175 2.587 ( -6.508 0.653 -0.594) 6.568 2.605 ( -4.468 1.379 -0.639) 4.719 2.662 ( -1.060 -4.739 -0.754) 4.914 2.710 ( -1.952 -4.316 0.054) 4.737 2.733 ( 2.290 -1.235 0.573) 2.664 2.750 ( 0.622 -1.082 1.298) 1.800 2.782 ( 2.413 -2.015 -0.746) 3.231 2.813 ( 1.342 -0.208 -2.553) 2.892 2.832 ( 3.653 2.858 -0.903) 4.726 2.875 ( 1.639 2.692 -0.795) 3.250 2.930 ( -0.197 -3.822 -0.561) 3.868 2.945 ( -1.256 -3.181 2.072) 3.999 2.962 ( -1.038 1.793 -0.786) 2.216 2.987 ( -2.523 0.532 0.651) 2.659 3.021 ( -2.984 -0.234 1.679) 3.432 3.044 ( 0.186 -4.510 -1.905) 4.899 3.074 ( -0.671 0.622 1.771) 1.993 3.100 ( -2.253 -1.166 -0.795) 2.659 3.119 ( -0.518 0.549 2.526) 2.636 3.137 ( -4.275 -4.680 -0.340) 6.348 3.164 ( -2.350 0.186 0.089) 2.359 3.204 ( -0.413 -2.605 0.537) 2.692 3.250 ( -1.456 -1.075 -0.453) 1.866 3.251 ( 0.600 -2.025 -0.086) 2.114 3.299 ( 1.204 -4.407 -0.311) 4.579 3.343 ( -1.121 0.177 -2.873) 3.089 3.349 ( 1.148 1.246 2.063) 2.669 3.402 ( 0.754 2.284 1.859) 3.040 3.418 ( 2.267 0.979 -1.645) 2.967 3.458 ( 0.113 1.969 -2.249) 2.992 3.462 ( 0.110 1.060 -0.061) 1.068 3.535 ( 0.518 -0.674 1.219) 1.486 3.578 ( -4.920 -0.298 0.695) 4.978 3.597 ( -2.924 3.770 -2.499) 5.385 3.642 ( -0.217 -1.720 -1.087) 2.046 3.685 ( -0.684 -0.737 1.636) 1.921 3.710 ( -1.579 -0.246 0.423) 1.653 3.753 ( -1.856 -0.775 -1.116) 2.300 3.791 ( -0.624 0.358 1.432) 1.603 3.877 ( -0.534 0.365 1.378) 1.522 3.898 ( -0.007 0.128 -0.817) 0.827 3.900 ( -3.071 -1.567 1.113) 3.623 3.988 ( -0.267 0.109 0.001) 0.288 4.014 ( -0.613 -1.557 -0.536) 1.757 4.055 ( 0.605 -3.782 -0.908) 3.936 4.100 ( 1.853 -0.062 0.582) 1.943 4.106 ( 2.404 -2.851 -0.888) 3.834 4.160 ( -3.827 1.011 1.223) 4.143 4.195 ( -1.884 -2.259 -0.991) 3.105 4.234 ( -0.937 0.123 -1.140) 1.481 4.264 ( -2.897 -0.137 -1.713) 3.368 4.312 ( -2.209 -0.880 -1.041) 2.596 4.360 ( 1.320 1.261 -5.369) 5.671 4.407 ( 0.767 -2.252 -2.859) 3.719 4.484 ( 2.385 0.961 -1.758) 3.115 4.517 ( 2.873 -1.176 4.035) 5.091 4.569 ( 7.477 -0.855 4.023) 8.534 4.623 ( 2.908 -1.533 6.183) 7.002 4.679 ( -2.174 2.334 -0.831) 3.296 4.738 ( 0.089 0.003 -0.554) 0.561 4.758 ( -1.946 1.440 3.490) 4.247 4.865 ( 2.787 -1.759 0.113) 3.298 4.907 ( 1.999 1.032 3.979) 4.571 4.979 ( -1.786 0.562 1.596) 2.460 4.994 ( 1.062 -1.998 -1.355) 2.638 5.044 ( 1.966 -0.333 -1.350) 2.408 5.057 ( 3.756 0.247 1.202) 3.951 5.092 ( -6.053 -2.470 -2.652) 7.055 5.127 ( 0.869 0.585 -2.190) 2.427 5.157 ( 3.988 -0.201 4.626) 6.111 5.242 ( 4.041 1.380 -0.262) 4.278 5.292 ( 2.547 1.371 1.760) 3.386 5.307 ( -3.014 1.417 -1.451) 3.633 5.380 ( -1.604 0.279 2.658) 3.117 5.425 ( -1.983 -2.867 0.180) 3.491 5.486 ( -2.453 -3.477 0.635) 4.303 5.528 ( -2.027 -0.804 -0.610) 2.265 5.577 ( 1.350 -2.506 -2.679) 3.909 5.626 ( 0.761 -3.208 1.024) 3.453 5.635 ( 3.421 -3.074 2.237) 5.114 5.724 ( -1.020 -1.486 1.622) 2.425 5.736 ( -0.144 -1.378 -0.409) 1.444 5.757 ( 4.179 -1.755 0.024) 4.533 5.805 ( -0.185 1.188 0.009) 1.203 5.865 ( -1.948 -0.830 -2.952) 3.633 5.902 ( -0.764 -0.696 -1.106) 1.514 5.925 ( 1.560 -0.678 0.894) 1.921 6.019 ( -2.742 -1.222 0.279) 3.015 6.034 ( -5.291 -0.194 2.068) 5.684 6.129 ( 1.584 -0.972 -1.285) 2.260 6.186 ( -1.945 -1.512 0.248) 2.476 6.196 ( 2.014 3.542 1.782) 4.447 6.225 ( 1.378 2.454 -2.073) 3.496 6.261 ( 0.097 0.800 -0.044) 0.807 6.267 ( 0.229 0.846 0.262) 0.915 6.355 ( -1.722 2.876 -0.045) 3.353 6.367 ( -0.570 0.358 -0.772) 1.025 6.372 ( -1.777 0.893 0.809) 2.147 6.417 ( -1.773 0.221 -0.452) 1.842 6.493 ( 0.701 0.659 -0.968) 1.364 6.499 ( -0.801 0.355 0.817) 1.198 6.559 ( 1.035 0.056 0.545) 1.172 6.584 ( 0.760 0.602 -0.245) 1.000 6.624 ( 0.407 0.641 1.293) 1.499 6.647 ( 0.441 0.302 -0.498) 0.731 6.669 ( 0.420 0.295 0.204) 0.553 6.684 ( -0.387 0.731 -0.116) 0.835 6.738 ( 0.913 -0.550 1.078) 1.515 6.776 ( 1.402 -1.797 -0.010) 2.279 6.803 ( 1.222 -1.915 -0.374) 2.302 6.827 ( 4.337 -2.836 -2.279) 5.661 6.913 ( 0.381 1.568 0.201) 1.627 6.930 ( 0.218 1.156 -0.103) 1.181 7.014 ( 1.069 1.282 0.002) 1.669 7.032 ( 1.114 2.121 -0.846) 2.541 7.070 ( 0.689 0.506 0.156) 0.869 7.093 ( -1.499 1.693 -0.029) 2.261 7.112 ( 0.480 -1.724 -0.286) 1.813 7.121 ( -0.407 0.114 -0.286) 0.510 7.166 ( 1.129 2.227 0.154) 2.502 7.184 ( 0.715 1.378 -0.111) 1.557 7.202 ( -0.384 0.989 1.080) 1.514 7.250 ( -0.554 0.670 -1.929) 2.116 7.303 ( 0.990 3.518 0.048) 3.655 7.326 ( 2.125 3.386 -0.580) 4.039 7.424 ( -0.175 -1.066 0.326) 1.129 7.436 ( 0.185 0.660 -0.162) 0.704 7.466 ( -0.910 0.367 -0.606) 1.153 7.488 ( 0.512 -0.676 -0.155) 0.862 7.535 ( -1.531 -1.863 1.845) 3.037 7.565 ( -2.649 -2.173 -0.666) 3.491 7.578 ( -0.399 0.922 0.998) 1.417 7.651 ( -0.185 -1.533 -1.514) 2.162 7.665 ( -0.485 -0.121 0.633) 0.807 7.731 ( -2.056 1.308 -1.956) 3.125 ======================= Grid point 52 (22/35) ======================= q-point: (-0.50 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( -11.759 6.672 6.551) 15.024 0.949 ( 7.494 5.266 4.457) 10.186 1.000 ( 9.383 8.277 4.353) 13.248 1.025 ( -4.033 11.001 4.465) 12.539 1.086 ( 6.406 3.721 -5.780) 9.396 1.140 ( -6.079 2.502 -6.864) 9.504 1.190 ( -6.738 8.399 -5.303) 12.002 1.237 ( 4.391 7.811 -9.021) 12.715 1.491 ( 0.735 2.651 5.682) 6.313 1.513 ( -7.485 1.730 4.467) 8.887 1.580 ( 6.867 -1.208 1.905) 7.228 1.612 ( 0.278 1.011 -0.738) 1.282 1.695 ( 6.956 5.538 2.500) 9.236 1.729 ( -7.622 5.655 0.337) 9.496 1.738 ( -0.564 2.542 3.070) 4.025 1.836 ( 1.663 1.728 -4.896) 5.452 1.964 ( 0.771 5.231 2.630) 5.906 1.971 ( 1.593 1.003 1.468) 2.387 2.009 ( -0.928 -2.741 -1.467) 3.244 2.012 ( 1.817 -0.454 -0.765) 2.024 2.090 ( 0.433 -2.316 -0.271) 2.372 2.136 ( -3.020 0.105 -1.894) 3.566 2.157 ( -1.056 0.388 1.406) 1.801 2.194 ( 2.674 2.187 1.095) 3.624 2.201 ( -1.736 2.447 -1.290) 3.266 2.261 ( 0.430 -1.362 -2.923) 3.254 2.296 ( 0.527 -1.449 2.435) 2.882 2.312 ( -5.712 -0.692 1.170) 5.871 2.357 ( 2.896 0.240 0.362) 2.928 2.383 ( 0.903 0.058 1.998) 2.194 2.395 ( 0.202 -0.309 0.534) 0.649 2.432 ( -0.553 3.813 2.000) 4.341 2.458 ( 1.360 -2.657 -3.167) 4.352 2.490 ( -2.703 3.476 -1.227) 4.571 2.586 ( 3.106 -2.648 1.302) 4.284 2.625 ( -1.371 -5.854 -1.801) 6.276 2.691 ( -0.053 -5.176 0.645) 5.216 2.723 ( -0.458 -1.868 -1.227) 2.282 2.792 ( -0.613 -2.506 -1.484) 2.976 2.808 ( 1.168 -0.541 -0.747) 1.488 2.853 ( -2.088 0.647 2.253) 3.140 2.857 ( -2.677 1.159 0.836) 3.035 2.896 ( 1.676 2.335 -1.532) 3.257 2.918 ( -0.911 -1.335 1.132) 1.973 2.938 ( 3.806 -0.290 -2.141) 4.376 2.956 ( -0.258 -2.371 0.768) 2.506 2.961 ( 2.458 1.407 -0.906) 2.973 2.995 ( -0.589 0.199 -0.628) 0.884 3.022 ( -2.650 -1.837 -0.261) 3.235 3.055 ( -0.487 -3.526 -0.258) 3.568 3.066 ( 1.494 0.655 0.303) 1.659 3.101 ( 1.468 -1.030 1.824) 2.558 3.119 ( 0.150 -0.608 -1.458) 1.586 3.155 ( 0.775 -0.545 0.584) 1.113 3.180 ( -1.438 -3.943 -0.816) 4.276 3.205 ( -2.411 -1.505 0.400) 2.871 3.284 ( 1.591 1.767 0.821) 2.516 3.320 ( -0.663 -2.556 -0.676) 2.726 3.340 ( 0.301 0.854 0.392) 0.987 3.350 ( -0.535 -2.005 -1.402) 2.504 3.408 ( -2.458 0.463 0.922) 2.665 3.430 ( 1.042 0.733 0.654) 1.432 3.464 ( 3.084 1.304 2.397) 4.118 3.495 ( 0.856 0.608 0.138) 1.059 3.516 ( 0.438 0.099 -1.606) 1.668 3.524 ( 0.455 -0.041 -0.081) 0.464 3.566 ( -0.488 1.246 -1.752) 2.205 3.613 ( -3.265 0.505 -1.929) 3.826 3.677 ( 1.293 -2.496 -0.276) 2.824 3.683 ( -3.526 -2.408 -1.455) 4.511 3.757 ( 2.535 0.925 0.316) 2.717 3.784 ( 0.373 1.440 -1.335) 1.999 3.836 ( -0.851 -0.903 0.612) 1.384 3.875 ( 0.803 0.504 -0.412) 1.033 3.940 ( 1.241 0.115 0.376) 1.302 3.962 ( -0.451 0.851 0.328) 1.017 4.035 ( 1.173 -2.653 0.884) 3.032 4.040 ( -1.968 -1.577 0.155) 2.527 4.110 ( -0.590 -1.415 0.159) 1.541 4.134 ( 0.958 -2.364 1.502) 2.960 4.143 ( -0.691 -1.274 -2.077) 2.533 4.164 ( 0.398 0.641 1.810) 1.961 4.202 ( -1.162 0.910 -1.029) 1.799 4.232 ( -0.786 -1.202 -6.662) 6.815 4.280 ( 0.683 -0.899 0.775) 1.370 4.368 ( 0.335 0.174 -4.572) 4.587 4.442 ( 1.911 -1.085 -0.491) 2.252 4.475 ( -3.793 -0.919 -2.181) 4.471 4.572 ( 0.889 1.054 4.626) 4.828 4.626 ( -0.487 -0.176 3.300) 3.340 4.662 ( 1.534 0.242 0.255) 1.573 4.698 ( 1.794 0.637 -1.336) 2.326 4.759 ( 1.997 -1.432 3.957) 4.658 4.806 ( 4.322 0.417 2.923) 5.234 4.906 ( 0.147 0.784 4.110) 4.187 4.928 ( 1.353 -0.686 -0.663) 1.656 4.946 ( -1.963 0.051 3.429) 3.952 4.987 ( -1.625 0.551 2.774) 3.261 4.997 ( -2.445 0.104 1.952) 3.130 5.005 ( -2.061 -1.556 -1.359) 2.918 5.138 ( 3.871 -1.875 1.625) 4.598 5.153 ( -8.683 1.234 -3.548) 9.461 5.191 ( 3.386 0.115 1.541) 3.721 5.243 ( -0.204 0.586 0.875) 1.073 5.284 ( 3.360 1.430 0.362) 3.669 5.350 ( -0.302 -1.935 -0.117) 1.962 5.381 ( -1.082 -0.363 -1.798) 2.130 5.402 ( -0.767 -1.219 -2.020) 2.480 5.467 ( 1.062 -1.554 1.147) 2.204 5.493 ( 1.490 0.103 -2.241) 2.693 5.598 ( 1.307 -1.812 0.599) 2.313 5.619 ( -1.520 -2.048 -0.598) 2.619 5.648 ( -5.099 -0.640 2.036) 5.528 5.720 ( 1.817 -1.503 0.049) 2.359 5.748 ( 0.702 -1.196 0.586) 1.505 5.778 ( 1.402 -0.125 -2.681) 3.028 5.805 ( -2.944 -2.630 -0.690) 4.008 5.852 ( 1.647 -2.385 -3.564) 4.594 5.925 ( -4.641 -1.106 1.237) 4.929 5.941 ( 4.826 -0.578 -0.051) 4.861 5.976 ( -0.826 0.555 0.561) 1.143 5.983 ( 2.976 0.191 -0.226) 2.990 6.123 ( -3.130 -2.016 2.299) 4.376 6.160 ( 1.218 -1.443 -0.670) 2.004 6.220 ( -1.348 4.111 1.583) 4.607 6.251 ( 1.485 2.529 -0.217) 2.941 6.263 ( -0.373 1.334 0.211) 1.401 6.269 ( 0.335 1.952 -0.000) 1.980 6.333 ( -0.553 1.411 0.245) 1.535 6.354 ( 1.028 2.550 -0.753) 2.851 6.371 ( 0.881 -0.041 -0.245) 0.915 6.382 ( -0.869 -0.997 -0.942) 1.624 6.477 ( -0.951 1.198 1.326) 2.025 6.510 ( 0.913 1.033 -1.108) 1.769 6.571 ( -0.032 -0.114 1.064) 1.071 6.588 ( -0.594 0.716 -0.312) 0.981 6.625 ( -0.379 0.140 1.779) 1.825 6.654 ( 0.239 0.053 -0.005) 0.245 6.672 ( -0.041 0.866 -0.198) 0.890 6.682 ( 0.499 0.364 -0.495) 0.791 6.757 ( 0.422 -1.824 1.391) 2.332 6.794 ( 0.180 -2.655 -0.834) 2.789 6.811 ( -0.465 -2.674 1.444) 3.074 6.871 ( -0.580 -3.167 -2.986) 4.391 6.924 ( 0.354 1.525 0.297) 1.593 6.933 ( 0.859 1.279 -0.361) 1.583 7.021 ( -0.634 2.189 0.733) 2.394 7.049 ( 0.510 1.447 -1.347) 2.042 7.075 ( -0.435 1.822 0.052) 1.874 7.080 ( 0.348 0.996 -0.142) 1.064 7.113 ( -0.560 -1.435 0.278) 1.565 7.118 ( 0.187 -1.797 -0.203) 1.818 7.186 ( 0.303 2.593 -0.040) 2.611 7.189 ( -0.465 1.970 -0.293) 2.046 7.200 ( 0.531 0.232 0.962) 1.123 7.238 ( -0.401 0.014 -1.762) 1.807 7.321 ( 0.590 3.431 0.616) 3.536 7.347 ( -1.126 3.888 -1.632) 4.364 7.422 ( 0.240 -1.177 0.534) 1.315 7.442 ( -0.566 0.211 -1.144) 1.294 7.470 ( 2.332 0.128 1.230) 2.640 7.489 ( -0.865 0.148 -0.527) 1.023 7.503 ( -1.301 -2.346 0.999) 2.862 7.531 ( 0.724 -2.830 -1.086) 3.117 7.578 ( -0.046 0.863 2.443) 2.591 7.635 ( -0.134 0.752 -2.195) 2.324 7.673 ( -0.108 -0.160 0.830) 0.853 7.700 ( -0.321 0.697 -1.179) 1.406 ======================= Grid point 54 (23/35) ======================= q-point: (-0.25 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.648 ( -7.495 8.747 12.271) 16.831 0.782 ( -10.744 15.369 8.046) 20.405 0.990 ( -9.115 12.384 -7.520) 17.117 1.013 ( -5.600 5.596 -11.034) 13.580 1.142 ( -12.605 9.685 10.653) 19.135 1.186 ( 5.410 6.153 1.985) 8.430 1.247 ( 6.560 4.573 0.912) 8.049 1.296 ( 12.924 3.757 1.104) 13.504 1.395 ( 6.237 6.012 -4.097) 9.582 1.487 ( 0.795 -2.411 -2.082) 3.283 1.630 ( 1.820 1.264 1.644) 2.759 1.638 ( -1.964 1.222 -2.998) 3.787 1.685 ( 2.791 0.052 3.694) 4.630 1.757 ( 0.384 2.672 0.851) 2.830 1.799 ( -3.143 2.853 0.937) 4.347 1.814 ( -3.409 2.103 -3.021) 5.017 1.893 ( -7.350 -1.658 -1.275) 7.642 1.916 ( -2.668 -0.231 0.038) 2.678 1.954 ( -5.597 0.449 -1.335) 5.772 1.989 ( -0.839 0.441 -1.355) 1.654 2.089 ( 2.936 0.138 3.295) 4.415 2.101 ( -0.465 -0.416 -0.126) 0.637 2.128 ( -1.779 -0.214 -0.957) 2.032 2.193 ( -1.460 0.327 0.406) 1.550 2.203 ( 0.476 0.865 1.986) 2.218 2.251 ( -1.878 -0.897 -1.735) 2.709 2.264 ( -1.188 0.309 -2.314) 2.620 2.317 ( -3.860 0.622 1.091) 4.059 2.329 ( 1.226 -0.398 1.152) 1.729 2.365 ( -1.797 0.603 0.058) 1.896 2.434 ( 1.780 3.105 0.068) 3.580 2.469 ( 3.031 2.810 0.844) 4.218 2.525 ( 6.718 -1.145 -0.380) 6.825 2.561 ( 7.007 -0.833 -0.687) 7.089 2.630 ( 1.048 -2.226 -1.992) 3.165 2.665 ( 3.609 -2.697 -0.051) 4.506 2.691 ( 2.463 -0.051 1.229) 2.753 2.754 ( -0.111 -0.575 0.740) 0.944 2.767 ( -2.516 -0.669 -2.613) 3.689 2.801 ( -1.168 -5.079 0.031) 5.212 2.804 ( 0.124 0.615 -2.140) 2.230 2.833 ( -1.989 0.613 -0.630) 2.174 2.872 ( -1.642 -3.361 0.683) 3.802 2.905 ( -0.168 2.086 -1.049) 2.341 2.930 ( -0.496 -3.810 1.951) 4.309 2.961 ( -0.669 -1.084 0.717) 1.462 2.989 ( 0.420 -1.388 0.681) 1.602 3.020 ( -0.208 -2.420 -0.545) 2.490 3.044 ( 4.238 -0.581 1.031) 4.401 3.092 ( 0.526 -1.767 0.707) 1.975 3.098 ( 2.223 -2.414 -0.562) 3.330 3.123 ( 0.520 0.420 0.077) 0.673 3.155 ( -0.057 0.627 -0.207) 0.663 3.170 ( 2.359 -1.502 2.577) 3.803 3.195 ( 5.020 0.552 -0.895) 5.128 3.213 ( 3.798 -2.475 -0.309) 4.544 3.269 ( -2.540 4.058 -1.369) 4.980 3.308 ( -1.473 -2.741 -0.694) 3.188 3.341 ( 2.195 -0.569 -1.777) 2.881 3.350 ( -0.385 1.516 2.612) 3.045 3.391 ( -2.471 0.078 0.604) 2.545 3.419 ( -0.197 0.135 -1.749) 1.765 3.473 ( -0.003 1.232 -0.377) 1.289 3.503 ( 0.668 -0.251 -2.013) 2.136 3.528 ( -2.897 0.515 0.474) 2.980 3.551 ( 2.875 -1.597 1.961) 3.829 3.582 ( 0.677 -0.063 -0.816) 1.062 3.603 ( 2.588 0.629 -0.357) 2.687 3.691 ( 0.585 -1.249 0.114) 1.384 3.705 ( 5.347 -0.798 1.155) 5.528 3.768 ( 0.954 1.733 -0.475) 2.034 3.806 ( -1.066 0.019 0.455) 1.159 3.863 ( 2.438 -2.541 0.978) 3.655 3.903 ( 1.642 0.142 0.562) 1.741 3.956 ( -0.704 1.240 0.307) 1.458 3.966 ( 0.927 -1.301 0.087) 1.600 4.013 ( -0.192 -2.887 -0.468) 2.931 4.029 ( -0.325 -1.726 0.099) 1.759 4.096 ( -0.718 -2.550 -1.776) 3.189 4.122 ( -0.202 -1.654 -2.001) 2.604 4.165 ( 1.759 -1.678 2.619) 3.574 4.192 ( 3.316 1.830 -0.102) 3.789 4.233 ( 2.083 -0.778 -2.833) 3.601 4.236 ( 1.852 1.858 -1.077) 2.836 4.313 ( 0.772 -1.934 -0.676) 2.189 4.357 ( -2.944 -0.418 -0.395) 3.000 4.399 ( -1.307 -0.457 -3.936) 4.172 4.438 ( -1.752 1.203 0.435) 2.169 4.538 ( -3.501 0.589 3.982) 5.335 4.588 ( -5.367 -0.384 0.024) 5.381 4.674 ( 3.715 -1.181 1.090) 4.048 4.737 ( -3.628 -1.144 1.866) 4.237 4.765 ( -0.653 -0.430 -2.927) 3.030 4.833 ( 1.859 1.064 -2.365) 3.191 4.871 ( -2.455 1.553 1.153) 3.125 4.891 ( -4.396 0.458 4.465) 6.283 4.938 ( -3.076 -3.231 0.093) 4.462 4.964 ( -0.536 -1.089 1.539) 1.960 4.986 ( 2.563 0.800 1.921) 3.301 5.012 ( -3.070 0.520 -2.675) 4.105 5.027 ( 2.956 0.756 5.364) 6.171 5.155 ( -4.199 0.341 -3.480) 5.464 5.223 ( -0.798 -0.433 0.720) 1.159 5.262 ( 4.566 -1.133 3.308) 5.751 5.302 ( -2.345 0.796 -1.405) 2.847 5.333 ( -1.895 -0.084 -2.882) 3.451 5.346 ( 3.795 -3.560 4.953) 7.184 5.439 ( 2.641 -0.712 3.115) 4.145 5.503 ( -3.040 -1.601 -1.518) 3.756 5.510 ( 0.913 -2.458 -0.528) 2.675 5.569 ( 3.768 -1.205 -3.393) 5.211 5.618 ( 0.478 -2.536 1.673) 3.076 5.644 ( 0.620 -1.236 0.541) 1.485 5.702 ( -6.542 -1.357 2.868) 7.271 5.742 ( 0.496 -0.151 0.393) 0.650 5.757 ( -0.376 -1.402 1.033) 1.781 5.782 ( -3.051 -1.573 0.858) 3.538 5.815 ( 0.978 -0.408 -1.982) 2.248 5.914 ( 0.738 -1.368 -1.031) 1.866 5.976 ( 0.179 -1.178 -1.743) 2.111 6.028 ( 3.738 -0.626 0.024) 3.791 6.063 ( 0.781 0.110 1.644) 1.823 6.110 ( 4.625 -1.669 -1.981) 5.301 6.163 ( -1.748 0.948 1.842) 2.711 6.186 ( -0.604 1.521 0.479) 1.706 6.242 ( -1.695 2.876 -0.755) 3.422 6.260 ( -0.461 0.877 -0.284) 1.031 6.270 ( -0.019 0.377 0.094) 0.389 6.347 ( 1.718 1.228 0.081) 2.113 6.377 ( 0.655 0.203 -1.291) 1.462 6.400 ( 1.867 1.705 0.538) 2.585 6.403 ( 2.003 1.602 -0.602) 2.634 6.466 ( -0.421 -0.085 0.503) 0.662 6.524 ( -0.118 -0.128 -0.553) 0.580 6.557 ( -0.684 0.900 1.206) 1.653 6.568 ( -1.124 0.694 -0.119) 1.327 6.615 ( -0.389 0.856 1.204) 1.528 6.653 ( -0.373 -0.037 -0.209) 0.429 6.671 ( 0.044 0.758 -0.075) 0.763 6.693 ( 0.095 0.260 -0.335) 0.435 6.748 ( -0.901 -2.168 0.566) 2.415 6.780 ( -1.468 -1.274 -1.265) 2.319 6.786 ( -1.942 -1.519 1.118) 2.708 6.830 ( -3.277 -1.784 -2.026) 4.246 6.921 ( -0.435 1.382 -0.097) 1.452 6.933 ( -1.224 0.649 -0.567) 1.497 7.005 ( -0.730 1.658 0.186) 1.821 7.037 ( -1.502 1.967 -0.764) 2.590 7.077 ( 0.457 0.449 -0.095) 0.648 7.090 ( 0.059 0.898 0.056) 0.901 7.105 ( 0.532 -0.100 0.229) 0.588 7.115 ( -0.361 -0.148 -0.030) 0.392 7.173 ( -0.731 0.900 -0.178) 1.173 7.180 ( -0.653 1.897 0.116) 2.010 7.209 ( 0.045 1.272 1.032) 1.639 7.241 ( 0.554 0.918 -1.953) 2.228 7.304 ( -1.618 3.165 -0.073) 3.556 7.319 ( -1.006 3.040 0.010) 3.202 7.430 ( 0.156 0.280 0.512) 0.604 7.438 ( 0.081 -0.048 -1.067) 1.071 7.463 ( -0.214 -0.689 -0.541) 0.902 7.489 ( -0.062 0.161 0.163) 0.237 7.532 ( 1.732 -0.311 1.235) 2.150 7.563 ( 1.940 -1.650 0.486) 2.593 7.588 ( 1.532 -1.838 0.472) 2.439 7.643 ( -0.285 0.091 -1.435) 1.466 7.668 ( 1.159 0.857 0.470) 1.516 7.715 ( 1.207 0.710 -1.022) 1.734 ======================= Grid point 55 (24/35) ======================= q-point: ( 0.00 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( -0.325 12.644 11.742) 17.258 0.890 ( -0.365 14.913 9.037) 17.441 1.070 ( -2.414 9.127 -6.974) 11.738 1.128 ( 2.822 9.005 -9.325) 13.267 1.301 ( 1.252 3.802 2.302) 4.618 1.373 ( 0.667 3.808 -2.297) 4.497 1.463 ( -0.157 13.099 3.909) 13.671 1.555 ( 1.329 10.663 -2.886) 11.126 1.602 ( 3.085 3.789 1.504) 5.112 1.634 ( 1.127 -0.796 1.594) 2.108 1.648 ( -6.022 2.759 1.321) 6.754 1.660 ( -3.315 4.663 0.575) 5.750 1.694 ( -0.190 7.570 -0.257) 7.577 1.719 ( 1.228 3.519 -3.306) 4.982 1.774 ( 0.484 3.866 1.555) 4.195 1.789 ( -3.825 1.042 1.848) 4.373 1.816 ( 1.836 3.253 -1.605) 4.066 1.847 ( 2.716 -0.450 -1.374) 3.077 1.925 ( -2.687 -1.826 2.879) 4.340 2.008 ( 0.789 2.183 -1.742) 2.902 2.089 ( 1.213 -0.953 0.340) 1.579 2.097 ( 1.213 -0.794 1.065) 1.799 2.105 ( -0.906 -2.010 0.233) 2.217 2.149 ( -1.135 0.942 -1.611) 2.184 2.192 ( 0.347 -1.527 -1.672) 2.291 2.225 ( 1.750 -0.146 -3.188) 3.639 2.261 ( 0.062 1.586 1.726) 2.345 2.300 ( -1.434 1.014 -1.033) 2.037 2.341 ( 0.377 -0.944 0.707) 1.239 2.363 ( 0.672 -0.667 -1.640) 1.894 2.500 ( 1.135 0.306 1.609) 1.992 2.533 ( -1.919 -0.395 -0.518) 2.026 2.565 ( -1.005 -4.677 0.668) 4.830 2.597 ( 2.092 -3.060 1.771) 4.108 2.622 ( -0.611 -3.848 -3.022) 4.931 2.630 ( -1.577 -1.206 -0.823) 2.149 2.669 ( 1.670 1.567 2.015) 3.051 2.712 ( -3.174 -0.731 3.479) 4.765 2.741 ( -1.500 0.509 -3.207) 3.577 2.783 ( 3.642 -3.898 1.577) 5.563 2.800 ( 0.956 -2.882 2.758) 4.102 2.833 ( 0.277 1.321 0.395) 1.406 2.839 ( -0.383 -5.287 -0.366) 5.313 2.865 ( 1.616 -0.803 -1.311) 2.230 2.906 ( -2.757 0.483 -1.748) 3.300 2.917 ( 3.782 -0.071 -0.041) 3.783 2.941 ( 0.955 0.671 -0.333) 1.214 3.001 ( -1.297 -0.578 -0.256) 1.443 3.022 ( -0.716 -1.341 1.398) 2.065 3.072 ( 2.378 -3.017 -0.780) 3.920 3.104 ( -1.121 -3.390 -3.691) 5.135 3.111 ( 0.154 -2.831 -1.713) 3.312 3.145 ( -1.407 2.093 -1.073) 2.741 3.163 ( -1.683 -2.155 -2.746) 3.876 3.208 ( 0.250 0.049 -0.706) 0.750 3.222 ( -2.254 1.562 -0.549) 2.797 3.301 ( 2.319 0.377 3.501) 4.216 3.318 ( 1.032 1.441 3.330) 3.772 3.342 ( 0.057 -0.149 1.034) 1.046 3.384 ( -4.550 0.521 2.374) 5.159 3.393 ( 0.498 0.813 -2.886) 3.039 3.433 ( 3.589 -1.708 -0.695) 4.035 3.451 ( 1.325 1.336 -1.654) 2.505 3.487 ( -0.380 0.988 -2.978) 3.161 3.514 ( -3.865 -1.265 1.534) 4.347 3.566 ( 0.683 -1.378 -1.277) 1.999 3.626 ( 1.831 -0.230 1.522) 2.392 3.642 ( -0.570 -1.258 -0.609) 1.509 3.724 ( -0.632 -1.794 1.557) 2.458 3.741 ( -0.798 0.162 3.154) 3.257 3.752 ( 1.875 -1.016 1.515) 2.616 3.793 ( -1.478 0.640 2.261) 2.776 3.840 ( 1.819 -1.227 3.735) 4.332 3.903 ( 0.849 -2.226 -2.304) 3.314 3.908 ( -1.627 -3.633 -2.092) 4.497 3.949 ( 0.590 -0.185 -2.313) 2.394 3.981 ( 1.367 -1.949 0.509) 2.435 4.017 ( -0.164 1.097 -0.809) 1.373 4.037 ( 1.621 1.016 2.850) 3.433 4.128 ( -0.566 -2.115 -0.299) 2.210 4.157 ( -2.713 1.219 -0.562) 3.027 4.241 ( 0.992 -2.325 -1.649) 3.018 4.255 ( -2.169 -0.256 1.853) 2.864 4.285 ( 1.778 0.019 -1.283) 2.193 4.321 ( -0.380 0.976 -1.556) 1.876 4.348 ( 3.128 2.832 -1.990) 4.665 4.399 ( 0.062 0.392 0.405) 0.567 4.420 ( 1.444 0.688 -3.076) 3.467 4.459 ( -0.686 -0.126 1.867) 1.993 4.506 ( -2.063 -3.435 -0.598) 4.052 4.591 ( -4.579 -1.241 2.476) 5.352 4.725 ( -0.090 -2.253 -4.203) 4.769 4.758 ( 0.562 1.468 0.420) 1.627 4.790 ( -1.619 -2.957 -1.398) 3.650 4.810 ( -2.408 -0.162 0.929) 2.587 4.865 ( 3.024 -0.154 -3.341) 4.510 4.912 ( -0.054 -0.062 0.172) 0.191 4.945 ( 2.584 -0.319 -0.157) 2.608 5.007 ( 2.789 -0.687 0.974) 3.033 5.063 ( -4.324 -0.710 -2.161) 4.886 5.086 ( 1.963 1.930 7.688) 8.166 5.128 ( 2.597 0.585 2.255) 3.489 5.173 ( -0.449 -0.620 -0.447) 0.887 5.213 ( -3.216 0.080 -0.181) 3.223 5.287 ( -0.723 -1.494 1.943) 2.555 5.320 ( 0.693 -1.155 1.761) 2.216 5.376 ( 0.091 -3.200 2.065) 3.810 5.427 ( -0.305 -3.894 -2.218) 4.492 5.434 ( 4.746 -0.514 1.658) 5.053 5.471 ( -1.106 -3.534 0.359) 3.720 5.522 ( -4.548 -0.533 3.410) 5.709 5.567 ( 0.688 -1.249 0.582) 1.541 5.589 ( -0.988 -0.486 -0.734) 1.323 5.633 ( 1.520 -1.194 -2.254) 2.970 5.705 ( -0.369 -2.735 0.127) 2.762 5.721 ( 0.450 -1.372 -1.439) 2.038 5.812 ( 2.718 0.660 3.395) 4.399 5.869 ( 2.415 1.285 0.547) 2.790 5.895 ( -1.494 -0.626 -1.561) 2.250 5.928 ( -2.269 -0.980 -3.035) 3.914 6.037 ( -1.484 -0.976 1.820) 2.543 6.069 ( 0.989 -1.939 0.317) 2.200 6.121 ( -1.697 -0.344 0.270) 1.752 6.159 ( 1.852 -1.614 -1.568) 2.914 6.215 ( 0.036 1.423 0.602) 1.545 6.238 ( -0.403 0.446 -1.239) 1.377 6.261 ( -0.262 -0.454 0.315) 0.612 6.268 ( 0.828 -0.239 -0.239) 0.894 6.380 ( -0.294 0.418 0.672) 0.844 6.393 ( 0.053 0.177 0.268) 0.326 6.441 ( -0.204 1.959 -0.763) 2.113 6.449 ( -0.206 0.968 -0.796) 1.270 6.494 ( 0.948 1.281 0.484) 1.665 6.508 ( -0.477 0.775 -0.637) 1.111 6.554 ( -0.835 -0.868 0.648) 1.368 6.564 ( 0.630 -0.892 -0.216) 1.113 6.645 ( -0.069 2.161 0.616) 2.249 6.664 ( 0.215 1.660 -0.665) 1.801 6.694 ( -0.838 1.701 0.624) 1.997 6.708 ( 0.326 1.335 -0.472) 1.453 6.731 ( 0.805 0.193 0.336) 0.893 6.750 ( 0.489 0.538 -0.812) 1.090 6.773 ( -0.579 1.219 1.096) 1.738 6.802 ( -0.602 0.920 -0.866) 1.400 6.949 ( 0.839 2.473 0.425) 2.646 6.955 ( -0.644 2.955 -0.075) 3.025 7.032 ( -0.267 1.623 0.499) 1.719 7.054 ( 0.386 1.683 -1.255) 2.134 7.083 ( -0.260 1.220 0.658) 1.410 7.094 ( 0.420 0.633 -0.086) 0.765 7.132 ( -0.209 0.787 -0.240) 0.849 7.140 ( -0.045 0.710 -0.624) 0.946 7.179 ( 0.151 0.510 1.016) 1.147 7.197 ( -0.104 1.143 -0.546) 1.270 7.243 ( -0.259 1.068 0.565) 1.235 7.256 ( 0.167 -0.867 -0.481) 1.006 7.339 ( 0.788 2.194 0.938) 2.513 7.357 ( -0.062 2.144 -0.428) 2.187 7.411 ( -0.909 -1.808 -0.023) 2.024 7.418 ( 0.039 -1.905 -0.627) 2.006 7.463 ( 0.787 -0.025 1.228) 1.459 7.486 ( -0.375 -1.154 0.027) 1.213 7.529 ( -1.155 -0.678 -0.356) 1.386 7.549 ( 1.100 -3.269 -1.359) 3.707 7.597 ( 0.484 2.380 1.805) 3.026 7.645 ( -0.622 1.795 -1.941) 2.716 7.685 ( -0.558 0.424 2.018) 2.136 7.744 ( 0.748 -0.625 -2.684) 2.855 ======================= Grid point 56 (25/35) ======================= q-point: ( 0.25 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( 6.329 10.206 8.098) 14.484 1.021 ( 8.355 13.447 2.608) 16.045 1.078 ( 4.550 8.937 -3.017) 10.472 1.235 ( 4.020 5.230 -4.815) 8.167 1.312 ( 1.561 4.103 -3.451) 5.584 1.322 ( -12.296 8.362 -1.585) 14.954 1.423 ( -5.363 12.401 4.283) 14.173 1.475 ( 3.840 9.408 1.343) 10.250 1.513 ( -4.892 6.507 -1.724) 8.321 1.548 ( -1.763 8.378 -0.556) 8.580 1.612 ( -1.059 1.082 2.156) 2.634 1.670 ( -5.776 -0.625 1.719) 6.059 1.712 ( 0.863 4.225 -1.437) 4.545 1.738 ( 3.351 0.375 1.788) 3.817 1.829 ( 6.653 1.253 0.669) 6.803 1.864 ( 2.896 -0.498 -0.301) 2.954 1.883 ( 0.252 -1.395 -0.572) 1.529 1.920 ( 5.870 3.124 -0.089) 6.650 1.934 ( 1.601 1.159 1.423) 2.435 2.024 ( 2.510 1.577 -0.780) 3.065 2.062 ( 1.392 1.936 1.845) 3.014 2.127 ( 1.849 -1.820 -1.065) 2.804 2.156 ( 2.218 -0.111 -0.931) 2.408 2.166 ( 3.554 0.452 1.256) 3.796 2.203 ( -1.391 -2.589 0.065) 2.939 2.246 ( 0.040 0.855 -2.523) 2.665 2.272 ( 1.332 3.022 -1.015) 3.455 2.291 ( 2.539 -0.274 -0.194) 2.561 2.354 ( 0.701 -0.583 -0.497) 1.039 2.389 ( 1.293 0.252 -0.398) 1.376 2.467 ( -4.364 -1.787 -1.206) 4.868 2.498 ( -1.472 1.333 2.727) 3.373 2.528 ( -2.294 0.514 0.225) 2.361 2.541 ( -3.675 -2.731 -0.843) 4.656 2.589 ( -6.115 0.291 1.552) 6.315 2.623 ( -1.048 -1.870 0.714) 2.259 2.656 ( -1.658 0.149 -0.087) 1.667 2.719 ( 0.185 -1.217 -0.418) 1.300 2.741 ( 1.348 -0.495 -0.870) 1.679 2.763 ( -1.335 0.232 2.233) 2.613 2.808 ( 0.065 -5.826 -0.699) 5.868 2.832 ( 1.704 -1.752 -0.457) 2.486 2.858 ( -0.698 -3.540 -0.226) 3.615 2.872 ( 2.568 -0.660 0.590) 2.716 2.917 ( 2.193 -2.086 -2.978) 4.246 2.939 ( 0.202 1.298 2.650) 2.958 2.976 ( -1.603 -1.272 2.519) 3.245 2.995 ( -0.063 -1.659 -1.986) 2.588 3.025 ( 2.342 -0.835 -3.183) 4.039 3.056 ( -2.814 -0.732 -0.587) 2.966 3.082 ( -2.914 -2.661 -1.086) 4.093 3.106 ( -1.171 -1.203 0.227) 1.694 3.130 ( 0.388 0.433 1.130) 1.271 3.142 ( -2.803 2.565 1.761) 4.188 3.159 ( 0.243 -2.757 -1.773) 3.287 3.199 ( -2.738 1.242 -0.461) 3.042 3.244 ( -2.070 0.452 -0.622) 2.208 3.285 ( -3.798 0.361 0.884) 3.916 3.346 ( 0.057 -0.620 -0.438) 0.761 3.352 ( 0.294 -0.222 1.699) 1.738 3.416 ( -0.121 -0.639 -2.563) 2.644 3.464 ( 0.692 2.016 -0.015) 2.131 3.475 ( 0.613 0.139 -2.091) 2.184 3.484 ( -0.432 -2.585 1.891) 3.232 3.499 ( 0.643 -0.700 -0.753) 1.213 3.556 ( -1.241 -0.691 0.863) 1.662 3.609 ( -1.454 -1.204 0.517) 1.958 3.628 ( -1.642 -3.475 -0.330) 3.857 3.669 ( -5.263 2.402 -0.003) 5.786 3.722 ( 0.766 -2.962 2.059) 3.688 3.732 ( -1.086 2.019 0.438) 2.334 3.802 ( -1.208 0.845 -0.920) 1.738 3.862 ( 1.074 -1.000 3.037) 3.373 3.883 ( -0.316 -0.957 -2.565) 2.756 3.924 ( -1.627 1.820 0.949) 2.619 3.931 ( 1.862 -3.584 -0.444) 4.063 4.004 ( -2.663 0.344 -0.021) 2.685 4.030 ( 1.827 -4.856 -1.152) 5.315 4.039 ( 1.677 0.826 -0.483) 1.931 4.101 ( -0.539 -1.243 -1.420) 1.962 4.136 ( -1.066 -1.185 -0.082) 1.596 4.177 ( -4.550 0.336 0.012) 4.562 4.234 ( -1.434 -0.624 -2.595) 3.030 4.260 ( -1.869 -0.259 -1.309) 2.296 4.313 ( -2.054 1.066 -0.205) 2.323 4.364 ( -1.069 -1.283 -4.489) 4.790 4.398 ( 1.280 1.416 -4.064) 4.490 4.473 ( -0.086 -2.003 0.321) 2.031 4.525 ( 5.680 1.826 2.453) 6.451 4.558 ( 5.950 -4.128 3.506) 8.046 4.575 ( 4.466 0.596 6.301) 7.746 4.719 ( 0.554 -1.414 -2.405) 2.845 4.734 ( -1.284 2.672 -1.419) 3.287 4.781 ( -0.936 0.781 4.448) 4.612 4.834 ( 3.910 -0.876 0.191) 4.011 4.922 ( 1.995 0.195 2.671) 3.340 4.951 ( 2.199 -2.698 -1.258) 3.701 4.974 ( -2.548 -1.099 -0.363) 2.799 5.020 ( -0.347 -1.953 -2.519) 3.207 5.050 ( -0.877 -1.330 1.089) 1.929 5.086 ( -0.453 1.779 3.187) 3.678 5.132 ( 3.875 -0.485 -0.369) 3.923 5.160 ( 0.440 0.786 4.291) 4.384 5.257 ( 2.694 -0.065 -2.213) 3.487 5.309 ( 3.252 0.658 3.989) 5.189 5.325 ( -1.630 -0.232 -2.237) 2.777 5.361 ( -0.146 -2.234 2.210) 3.146 5.380 ( -1.725 -1.949 -0.198) 2.610 5.432 ( -1.019 -1.900 -3.094) 3.771 5.493 ( -1.006 -2.321 -0.505) 2.580 5.547 ( 1.581 -0.777 -1.438) 2.274 5.570 ( 1.163 -1.724 0.995) 2.306 5.582 ( 2.272 -2.124 2.675) 4.102 5.680 ( 1.403 -2.829 0.576) 3.210 5.705 ( 0.447 -2.169 0.524) 2.276 5.723 ( 0.802 -1.562 -1.847) 2.548 5.829 ( -2.643 0.784 -0.587) 2.818 5.858 ( -1.437 0.380 -3.027) 3.372 5.889 ( 0.502 -0.601 -1.372) 1.580 5.923 ( 1.974 0.262 1.944) 2.783 5.996 ( -2.402 -1.263 0.623) 2.784 6.023 ( -4.621 -1.012 1.883) 5.091 6.104 ( -0.025 -1.502 -1.247) 1.953 6.151 ( -2.444 -2.034 -0.204) 3.186 6.235 ( 1.660 0.265 0.950) 1.931 6.252 ( 0.980 -0.024 0.100) 0.986 6.269 ( 1.343 -0.148 -0.697) 1.520 6.288 ( 0.844 0.700 0.111) 1.102 6.366 ( -0.748 0.596 0.102) 0.962 6.380 ( -1.204 0.844 1.375) 2.014 6.412 ( -1.281 2.363 -1.901) 3.292 6.446 ( -1.724 1.726 -0.227) 2.450 6.509 ( 0.475 0.888 0.705) 1.229 6.517 ( 1.158 1.148 -0.964) 1.894 6.553 ( 0.732 -0.675 0.867) 1.320 6.586 ( 1.303 -0.220 -0.274) 1.350 6.642 ( -0.148 1.227 0.762) 1.452 6.665 ( -0.071 1.674 -0.148) 1.682 6.684 ( 0.005 1.404 -0.152) 1.412 6.703 ( -0.635 1.154 -0.286) 1.348 6.745 ( 0.301 0.796 0.852) 1.204 6.754 ( 0.241 0.233 -0.733) 0.806 6.782 ( 0.435 -0.163 1.383) 1.459 6.809 ( 1.534 0.120 -1.518) 2.161 6.954 ( 0.539 2.834 -0.124) 2.887 6.969 ( 0.681 3.046 0.170) 3.125 7.038 ( 1.355 1.168 -0.131) 1.794 7.066 ( -0.643 0.930 0.580) 1.271 7.080 ( 0.697 0.082 -0.512) 0.869 7.095 ( 0.449 1.323 -0.327) 1.435 7.117 ( -1.028 0.858 -0.177) 1.351 7.134 ( -1.006 0.871 -0.178) 1.343 7.188 ( 1.134 0.171 0.935) 1.480 7.209 ( 0.947 1.302 -0.715) 1.762 7.228 ( -1.000 0.467 0.626) 1.269 7.261 ( -0.297 0.393 -0.589) 0.768 7.347 ( 0.489 0.384 0.379) 0.728 7.364 ( 1.371 0.039 -0.793) 1.584 7.400 ( -1.005 -0.527 0.446) 1.219 7.440 ( 1.979 -0.004 0.628) 2.076 7.467 ( -0.903 -0.838 -0.432) 1.305 7.478 ( -0.152 -0.136 0.330) 0.388 7.490 ( -1.821 -1.296 0.016) 2.236 7.549 ( -1.397 -0.793 -0.940) 1.861 7.607 ( 0.316 2.124 1.491) 2.614 7.641 ( 0.549 0.948 -1.574) 1.918 7.664 ( -1.185 0.380 1.035) 1.618 7.735 ( -1.483 -0.448 -1.864) 2.423 ======================= Grid point 57 (26/35) ======================= q-point: (-0.50 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( -1.269 9.570 3.364) 10.223 1.071 ( -0.300 8.721 2.528) 9.085 1.127 ( 1.786 5.036 -4.164) 6.775 1.183 ( -1.478 6.567 -5.493) 8.688 1.246 ( 8.592 10.670 3.710) 14.193 1.310 ( -6.421 13.851 2.315) 15.442 1.386 ( -6.970 11.415 -2.652) 13.635 1.441 ( 6.836 11.638 -3.684) 13.991 1.530 ( -3.886 1.107 3.032) 5.052 1.549 ( -4.083 1.408 3.569) 5.603 1.576 ( 3.205 2.451 0.054) 4.035 1.640 ( 4.449 2.738 -2.243) 5.685 1.771 ( -1.968 0.846 0.777) 2.278 1.794 ( 4.871 1.694 0.176) 5.160 1.828 ( -1.124 1.958 -1.625) 2.782 1.842 ( -0.863 2.018 -2.256) 3.148 1.921 ( -0.273 -3.237 1.605) 3.623 1.946 ( 1.560 -1.579 -0.003) 2.220 2.016 ( 2.429 -0.626 3.175) 4.046 2.054 ( -1.470 -0.819 0.576) 1.779 2.114 ( -1.081 5.220 0.477) 5.353 2.129 ( -3.163 -1.013 3.359) 4.724 2.142 ( -2.923 -0.496 -0.265) 2.976 2.204 ( 3.887 -1.031 -1.888) 4.442 2.226 ( -1.198 -1.020 0.655) 1.704 2.260 ( 1.689 1.330 -3.190) 3.847 2.316 ( 0.004 -0.373 1.239) 1.294 2.329 ( -1.312 -0.306 0.462) 1.424 2.361 ( 2.524 3.021 -0.354) 3.952 2.390 ( -2.474 3.227 -0.760) 4.137 2.405 ( -4.181 2.119 -0.871) 4.767 2.419 ( 3.129 -0.754 -1.203) 3.436 2.482 ( -0.296 1.751 2.195) 2.823 2.523 ( 1.587 2.334 0.130) 2.825 2.561 ( 2.246 0.527 1.659) 2.842 2.591 ( -0.686 1.372 -0.417) 1.589 2.630 ( 1.979 -1.057 1.060) 2.481 2.681 ( -1.282 -3.001 -3.246) 4.603 2.756 ( -0.678 -2.419 1.719) 3.044 2.784 ( -0.342 -1.995 1.363) 2.440 2.809 ( -1.108 -4.981 -1.284) 5.262 2.833 ( -1.241 -5.470 0.085) 5.610 2.875 ( -0.375 -3.357 3.438) 4.820 2.888 ( -1.192 -2.983 1.647) 3.610 2.916 ( 0.228 0.669 1.199) 1.392 2.944 ( -1.669 1.692 1.861) 3.019 2.976 ( 0.838 -2.324 -0.163) 2.476 2.999 ( -1.738 0.196 -0.302) 1.775 3.005 ( 1.827 1.280 -3.328) 4.006 3.028 ( -0.391 1.452 -2.833) 3.208 3.072 ( 2.904 -3.377 -0.224) 4.459 3.095 ( 0.563 -0.244 0.833) 1.035 3.106 ( -0.335 1.678 0.003) 1.712 3.119 ( 0.750 0.425 -1.818) 2.012 3.160 ( 0.567 1.176 -0.541) 1.413 3.190 ( -1.079 0.132 -2.651) 2.865 3.244 ( 2.372 -3.084 0.981) 4.012 3.265 ( 0.651 -1.809 -1.377) 2.365 3.331 ( -0.004 -2.701 1.716) 3.200 3.365 ( -0.673 0.670 -1.443) 1.728 3.406 ( -2.818 -0.973 0.398) 3.008 3.437 ( 0.845 -0.732 -1.335) 1.741 3.460 ( -0.515 -1.709 1.554) 2.367 3.493 ( 1.593 0.707 1.780) 2.491 3.522 ( 2.463 -0.220 -2.242) 3.337 3.526 ( -1.759 -0.275 -1.003) 2.044 3.581 ( -0.845 -0.654 2.938) 3.126 3.606 ( -0.467 1.694 -0.475) 1.820 3.659 ( 0.461 0.404 -1.524) 1.643 3.672 ( -2.545 0.279 -2.567) 3.625 3.763 ( 1.360 -1.085 2.066) 2.701 3.790 ( 0.786 0.616 -1.044) 1.445 3.827 ( -1.843 -0.686 -0.301) 1.990 3.879 ( 1.474 -0.350 -1.477) 2.116 3.946 ( -0.363 0.037 0.977) 1.043 3.962 ( -0.052 -1.191 -0.670) 1.367 3.981 ( 1.697 -2.477 0.894) 3.133 4.013 ( -1.514 -2.455 -0.677) 2.963 4.068 ( -3.316 -0.252 0.166) 3.330 4.083 ( 0.427 -2.899 1.293) 3.203 4.132 ( 0.182 0.547 -3.134) 3.187 4.144 ( 2.903 -2.195 -1.674) 4.006 4.199 ( -1.343 -1.302 0.247) 1.887 4.232 ( -0.861 0.543 -3.643) 3.782 4.282 ( -0.372 0.471 0.862) 1.050 4.362 ( 0.625 -1.042 -3.422) 3.631 4.427 ( 1.772 -0.468 -0.998) 2.087 4.455 ( -2.190 -1.062 -2.284) 3.338 4.597 ( 0.494 1.537 3.216) 3.599 4.620 ( 2.496 -2.380 5.710) 6.670 4.651 ( -1.336 -0.013 1.066) 1.709 4.713 ( 1.012 0.372 -1.500) 1.847 4.747 ( 1.767 1.637 2.001) 3.131 4.813 ( 2.688 -0.039 0.590) 2.753 4.897 ( 1.281 -1.226 2.635) 3.176 4.923 ( -2.423 -0.613 1.480) 2.905 4.945 ( -1.095 -1.138 0.531) 1.666 4.959 ( -0.795 -1.944 -2.404) 3.192 4.976 ( 1.279 -0.862 3.555) 3.875 5.021 ( -1.780 1.011 4.200) 4.672 5.115 ( 2.674 -0.313 2.709) 3.819 5.153 ( -4.635 -0.566 -0.389) 4.685 5.216 ( -0.492 1.889 0.962) 2.177 5.232 ( 2.165 -1.719 2.034) 3.433 5.299 ( -3.224 -2.081 -1.629) 4.169 5.317 ( 0.776 -0.385 -2.747) 2.880 5.369 ( -1.986 -0.079 -0.089) 1.990 5.383 ( 1.355 -0.169 0.166) 1.376 5.446 ( 0.836 -0.475 0.147) 0.973 5.496 ( 2.869 0.135 -3.559) 4.573 5.545 ( 0.485 -3.222 0.976) 3.401 5.565 ( -1.279 -3.427 -1.289) 3.878 5.641 ( -3.156 -0.192 0.268) 3.173 5.687 ( 2.936 -2.339 -1.163) 3.930 5.717 ( 2.106 -2.258 1.394) 3.388 5.740 ( -1.128 -3.987 -1.286) 4.339 5.778 ( -1.428 0.214 -0.611) 1.568 5.828 ( -1.297 0.162 -3.142) 3.403 5.912 ( -3.079 -0.106 1.157) 3.291 5.934 ( 3.648 0.013 -0.384) 3.668 5.974 ( -0.467 -0.544 1.059) 1.279 5.985 ( 2.654 -0.350 -0.377) 2.703 6.085 ( -2.524 -1.932 2.178) 3.853 6.122 ( 0.927 -2.413 -0.852) 2.722 6.257 ( 0.219 -0.761 0.647) 1.022 6.266 ( 0.520 -0.711 0.425) 0.978 6.279 ( -1.472 0.904 0.527) 1.806 6.298 ( 0.630 0.346 -0.451) 0.849 6.353 ( -0.345 0.905 1.209) 1.549 6.369 ( 0.078 0.622 -0.049) 0.629 6.404 ( 0.156 2.977 -0.860) 3.103 6.421 ( 0.563 2.927 -1.518) 3.345 6.507 ( -0.582 1.599 1.090) 2.021 6.530 ( 0.111 0.831 -0.712) 1.100 6.572 ( 0.748 0.264 1.051) 1.317 6.594 ( -0.736 -0.332 -0.688) 1.061 6.642 ( 0.217 1.791 1.211) 2.172 6.664 ( -0.135 1.100 -0.049) 1.110 6.691 ( 0.514 1.075 -0.735) 1.400 6.693 ( -0.173 0.782 -0.423) 0.906 6.741 ( -0.576 0.242 0.913) 1.106 6.764 ( 0.571 -0.253 -0.890) 1.087 6.779 ( -0.426 -0.422 2.228) 2.308 6.834 ( 0.319 -0.768 -2.119) 2.276 6.964 ( 0.362 2.921 0.274) 2.956 6.973 ( -0.230 3.180 -0.329) 3.205 7.053 ( -0.659 0.178 0.684) 0.966 7.068 ( 0.980 -1.007 -0.477) 1.484 7.088 ( -0.825 1.241 0.050) 1.491 7.095 ( 0.637 0.489 -0.409) 0.902 7.109 ( -1.186 1.686 0.116) 2.064 7.118 ( 0.863 1.932 -0.390) 2.152 7.203 ( -0.545 -0.124 1.178) 1.303 7.216 ( 0.639 0.653 0.709) 1.156 7.231 ( 1.224 0.819 -0.843) 1.697 7.241 ( -1.360 0.017 -1.108) 1.754 7.363 ( -1.947 0.276 0.956) 2.186 7.385 ( 2.503 -1.276 1.326) 3.107 7.396 ( 1.280 0.685 -1.713) 2.245 7.416 ( -2.686 -1.680 -1.166) 3.376 7.471 ( 0.627 -0.777 0.948) 1.377 7.478 ( 0.225 -0.931 0.279) 0.997 7.495 ( 0.459 1.719 0.525) 1.856 7.517 ( -0.362 0.739 -1.031) 1.319 7.604 ( -0.678 1.938 1.245) 2.401 7.648 ( 0.436 0.908 -1.833) 2.091 7.668 ( 1.090 -0.158 0.992) 1.483 7.704 ( -1.079 -0.107 -1.364) 1.742 ======================= Grid point 59 (27/35) ======================= q-point: (-0.25 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( -5.701 13.925 7.909) 16.998 1.025 ( -7.357 10.029 1.562) 12.536 1.138 ( -6.540 7.966 -3.182) 10.787 1.188 ( -5.266 7.284 -3.826) 9.768 1.271 ( 1.280 7.560 -1.780) 7.872 1.321 ( 7.686 4.152 -0.707) 8.765 1.403 ( 6.606 9.604 2.607) 11.944 1.474 ( -0.247 4.294 1.317) 4.498 1.506 ( 2.985 14.523 2.900) 15.108 1.558 ( 5.029 7.700 -3.106) 9.706 1.633 ( 1.127 -0.410 -0.030) 1.200 1.697 ( -1.821 4.427 1.245) 4.946 1.713 ( 2.233 3.057 0.750) 3.859 1.768 ( -2.304 -0.588 -0.917) 2.548 1.843 ( -1.798 0.828 0.475) 2.035 1.853 ( -5.684 -0.278 -0.534) 5.716 1.877 ( -2.053 0.807 -0.584) 2.282 1.932 ( -7.012 2.003 -0.541) 7.313 1.971 ( -4.008 1.317 -1.697) 4.547 2.010 ( -0.087 1.117 -0.489) 1.223 2.054 ( -0.703 -1.576 1.952) 2.605 2.087 ( 0.160 -1.729 2.100) 2.725 2.144 ( -0.174 0.777 1.733) 1.907 2.152 ( -2.399 -0.945 0.592) 2.645 2.219 ( -2.125 -0.596 -2.284) 3.176 2.229 ( -1.723 2.740 -1.400) 3.527 2.280 ( -3.249 -0.123 0.648) 3.315 2.308 ( 1.457 -0.986 -1.545) 2.341 2.338 ( -2.049 1.655 -1.132) 2.867 2.387 ( -1.293 0.830 0.616) 1.655 2.472 ( 6.157 -2.070 -0.884) 6.555 2.478 ( 0.978 -2.231 2.024) 3.167 2.521 ( 3.876 0.396 -0.594) 3.942 2.570 ( 3.004 1.540 0.852) 3.482 2.622 ( 1.061 2.355 -0.237) 2.593 2.640 ( 5.040 1.135 0.602) 5.201 2.671 ( -0.590 -2.172 -1.401) 2.651 2.704 ( 0.824 -3.486 -2.240) 4.225 2.730 ( 0.989 -3.255 1.266) 3.629 2.752 ( -1.143 -4.587 3.626) 5.958 2.786 ( 1.835 2.823 -1.157) 3.561 2.817 ( -0.428 -5.827 1.412) 6.011 2.837 ( -1.817 -0.524 -1.045) 2.161 2.873 ( -2.684 -2.444 -0.176) 3.634 2.893 ( -0.549 0.834 3.856) 3.983 2.935 ( -0.159 -1.504 -1.726) 2.295 2.958 ( -1.331 -2.626 1.535) 3.320 3.009 ( 1.094 1.712 -1.350) 2.440 3.021 ( 0.637 -0.120 -0.640) 0.911 3.039 ( 0.860 -3.567 0.009) 3.669 3.095 ( 0.474 0.161 -1.032) 1.147 3.131 ( 1.170 -1.566 -0.432) 2.002 3.135 ( 0.415 -1.174 -1.324) 1.817 3.168 ( 0.091 -0.083 -2.103) 2.107 3.188 ( 3.674 1.215 -1.525) 4.160 3.204 ( 4.718 0.731 0.703) 4.826 3.255 ( 0.336 -1.984 0.819) 2.173 3.284 ( -0.092 -1.610 -1.704) 2.346 3.352 ( 0.803 -1.098 0.294) 1.391 3.365 ( 0.065 -0.002 1.622) 1.624 3.381 ( 1.112 1.236 -1.364) 2.150 3.435 ( 0.500 1.732 -1.170) 2.149 3.480 ( -1.960 -0.928 -0.331) 2.194 3.516 ( 2.029 -1.041 -0.473) 2.329 3.523 ( -1.021 0.384 0.108) 1.097 3.564 ( -0.768 1.203 -0.126) 1.433 3.574 ( 1.197 1.077 1.864) 2.463 3.595 ( 5.611 -2.300 1.690) 6.295 3.663 ( 1.050 1.259 -0.685) 1.776 3.715 ( 4.636 0.646 1.213) 4.836 3.766 ( -1.308 -1.979 -1.335) 2.722 3.794 ( 1.114 -1.291 2.505) 3.030 3.839 ( 0.215 0.258 -0.263) 0.426 3.880 ( -2.424 -2.945 1.111) 3.973 3.933 ( -0.316 -1.470 -0.605) 1.621 3.963 ( 0.629 -2.067 1.603) 2.690 3.993 ( -0.970 -2.367 0.297) 2.575 4.002 ( -0.840 2.163 -2.175) 3.180 4.016 ( 0.364 -3.050 -0.080) 3.073 4.110 ( 2.759 -0.214 -1.699) 3.247 4.152 ( 1.786 0.113 -0.069) 1.791 4.204 ( 3.075 -1.572 -2.118) 4.051 4.216 ( 2.765 0.347 -0.113) 2.789 4.232 ( 1.033 -2.304 -1.699) 3.043 4.301 ( 2.147 0.474 0.258) 2.214 4.374 ( -1.106 1.777 -2.061) 2.938 4.384 ( -2.364 -0.808 -2.887) 3.818 4.460 ( -0.420 0.458 -0.561) 0.837 4.542 ( -4.310 -2.711 2.672) 5.750 4.554 ( -5.941 0.108 1.301) 6.082 4.671 ( 0.623 0.176 1.783) 1.897 4.726 ( -3.028 -0.119 1.527) 3.393 4.741 ( 0.544 -1.208 -3.666) 3.898 4.852 ( -2.900 -1.688 -0.415) 3.381 4.862 ( -0.356 -0.115 -2.827) 2.852 4.901 ( -0.645 0.628 2.227) 2.402 4.908 ( -2.648 -0.041 2.779) 3.839 4.931 ( -2.722 -2.048 2.110) 4.008 5.003 ( 1.005 -0.510 -1.993) 2.290 5.024 ( -0.227 1.826 -1.470) 2.355 5.052 ( 1.853 1.702 6.742) 7.197 5.152 ( -2.289 -1.658 -0.734) 2.920 5.202 ( -1.638 -0.821 0.633) 1.938 5.260 ( 1.887 0.929 4.967) 5.394 5.281 ( 0.475 -2.986 3.603) 4.703 5.305 ( -0.561 -0.560 -2.103) 2.247 5.323 ( -0.062 -1.654 -0.604) 1.762 5.425 ( 0.363 -0.679 0.090) 0.775 5.447 ( 1.473 -2.457 2.522) 3.817 5.480 ( -5.234 -1.459 -4.714) 7.193 5.554 ( 1.197 -0.841 -0.861) 1.698 5.576 ( 2.142 -1.250 -1.894) 3.120 5.619 ( 0.037 -1.319 -0.224) 1.338 5.664 ( -6.919 -2.654 2.320) 7.766 5.708 ( 0.248 -3.064 0.333) 3.092 5.721 ( -1.084 -2.185 -1.105) 2.677 5.772 ( 0.876 0.502 2.392) 2.596 5.827 ( 1.723 1.273 -1.510) 2.621 5.900 ( 0.785 -0.034 -1.051) 1.312 5.962 ( -1.023 -0.543 -0.676) 1.341 6.012 ( 3.645 -1.067 -0.141) 3.801 6.057 ( -0.506 -1.030 2.123) 2.414 6.076 ( 5.801 -1.531 -2.132) 6.367 6.140 ( 0.336 -1.895 0.405) 1.966 6.235 ( -2.000 1.486 0.986) 2.679 6.257 ( -0.091 -0.506 0.054) 0.517 6.264 ( -1.075 -0.818 -0.674) 1.509 6.282 ( -1.698 0.602 0.474) 1.862 6.366 ( 1.272 0.546 1.073) 1.751 6.380 ( 1.105 0.320 -0.547) 1.274 6.420 ( 1.163 2.303 -1.185) 2.839 6.454 ( 1.735 1.677 -1.002) 2.612 6.491 ( -1.038 1.951 1.047) 2.445 6.522 ( -0.752 0.208 -0.309) 0.839 6.570 ( -1.218 -0.685 -0.557) 1.504 6.572 ( -0.660 0.423 0.764) 1.095 6.645 ( 0.000 2.216 0.920) 2.399 6.661 ( 0.001 0.895 -0.290) 0.941 6.690 ( 0.276 1.142 -0.475) 1.267 6.710 ( 0.886 1.165 -0.678) 1.613 6.726 ( -0.934 0.453 0.795) 1.307 6.754 ( -0.894 -0.573 0.937) 1.416 6.782 ( 0.093 0.583 0.076) 0.595 6.822 ( -1.134 0.306 -1.412) 1.837 6.955 ( -1.313 2.357 -0.203) 2.706 6.967 ( -0.245 3.059 0.289) 3.083 7.037 ( -0.765 1.530 -0.001) 1.711 7.073 ( -0.381 0.747 -0.008) 0.838 7.078 ( -0.818 1.200 0.428) 1.514 7.084 ( 0.440 0.019 -0.388) 0.587 7.124 ( 1.033 0.729 -0.546) 1.377 7.135 ( 0.828 1.531 -0.117) 1.744 7.185 ( -0.991 0.309 0.969) 1.420 7.212 ( -1.067 0.784 -0.566) 1.440 7.236 ( 0.719 1.351 0.331) 1.566 7.253 ( 0.658 -0.056 -0.439) 0.793 7.335 ( -0.541 -0.325 0.590) 0.864 7.362 ( -1.386 1.058 -0.200) 1.755 7.417 ( 0.153 -0.644 -0.675) 0.945 7.434 ( 1.464 -0.732 1.317) 2.101 7.455 ( -1.970 0.149 -0.440) 2.024 7.486 ( 0.218 -0.374 0.405) 0.593 7.502 ( 2.322 -2.376 -0.560) 3.369 7.544 ( 0.866 -0.212 -0.806) 1.202 7.592 ( -0.176 2.071 1.459) 2.540 7.657 ( -0.443 1.163 -1.868) 2.245 7.678 ( 0.968 0.554 1.475) 1.849 7.716 ( 1.638 -0.297 -1.745) 2.412 ======================= Grid point 60 (28/35) ======================= q-point: ( 0.00 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( -3.289 11.484 7.969) 14.360 1.156 ( 2.399 13.060 5.723) 14.459 1.223 ( -1.206 5.368 0.891) 5.574 1.279 ( 2.311 6.307 -4.989) 8.367 1.354 ( -1.398 5.792 -4.175) 7.276 1.425 ( 2.993 0.034 -5.379) 6.156 1.552 ( 0.805 -3.984 3.012) 5.059 1.617 ( -0.154 1.972 -0.289) 1.999 1.666 ( 1.558 -1.380 0.432) 2.126 1.685 ( -2.793 1.082 -1.385) 3.300 1.696 ( -0.818 1.371 0.089) 1.599 1.731 ( 0.089 2.732 -2.022) 3.400 1.751 ( -5.589 4.050 1.190) 7.004 1.786 ( 1.644 4.467 0.437) 4.780 1.825 ( 0.572 0.792 1.298) 1.625 1.840 ( -1.439 2.656 -0.845) 3.137 1.881 ( 3.623 0.645 0.958) 3.803 1.897 ( -0.995 2.379 -0.001) 2.578 1.964 ( 0.663 6.155 0.962) 6.265 2.027 ( 1.029 0.756 -2.878) 3.149 2.089 ( -0.785 1.892 2.223) 3.023 2.096 ( -0.428 3.199 0.848) 3.337 2.119 ( 0.567 1.565 0.421) 1.717 2.162 ( -0.079 0.433 -2.044) 2.091 2.189 ( -1.893 -1.501 -0.506) 2.468 2.198 ( 1.287 -2.098 -0.691) 2.556 2.280 ( -0.668 0.320 0.699) 1.019 2.306 ( 1.067 -0.999 -0.667) 1.607 2.388 ( 0.519 3.679 0.684) 3.778 2.391 ( -0.422 5.580 0.212) 5.600 2.472 ( 1.243 -2.165 1.302) 2.816 2.484 ( -1.767 -2.057 0.155) 2.716 2.493 ( 1.975 -2.620 0.090) 3.282 2.535 ( -0.436 -4.326 -3.622) 5.659 2.597 ( -1.653 -0.980 0.440) 1.971 2.607 ( 0.452 -3.845 1.051) 4.012 2.661 ( -0.792 2.136 0.715) 2.388 2.669 ( 0.857 -4.378 3.881) 5.913 2.695 ( -0.014 -3.258 -0.749) 3.343 2.748 ( -0.728 -2.407 -0.093) 2.517 2.774 ( -0.357 3.462 1.321) 3.723 2.804 ( 4.570 0.796 -0.043) 4.639 2.830 ( -0.636 -1.209 1.448) 1.991 2.866 ( -2.080 -0.799 0.465) 2.276 2.902 ( 0.849 0.003 -2.021) 2.192 2.937 ( 0.534 -0.268 -3.281) 3.335 2.947 ( 0.457 0.212 3.731) 3.765 2.984 ( 0.188 -2.028 0.380) 2.072 3.004 ( 0.330 -0.002 -0.243) 0.410 3.035 ( -1.136 -0.835 -2.435) 2.814 3.050 ( -0.743 -0.845 -2.746) 2.967 3.091 ( -0.095 1.134 -5.421) 5.539 3.156 ( 0.223 0.324 0.060) 0.398 3.170 ( -1.158 1.502 -0.290) 1.918 3.222 ( 1.434 1.082 1.861) 2.587 3.253 ( -0.711 0.848 -0.291) 1.144 3.307 ( 2.708 -0.961 3.991) 4.917 3.311 ( 4.371 -1.298 1.349) 4.755 3.341 ( -0.010 -0.261 -0.046) 0.265 3.368 ( -3.215 -1.197 0.634) 3.489 3.395 ( -2.576 0.130 -1.662) 3.069 3.419 ( -1.069 -1.012 -2.981) 3.324 3.436 ( 1.446 -2.593 -1.270) 3.229 3.468 ( -2.814 -1.796 -3.239) 4.652 3.519 ( -0.500 1.536 1.615) 2.284 3.560 ( -0.889 1.310 -0.182) 1.594 3.603 ( 0.082 -0.484 1.218) 1.313 3.628 ( -1.187 -0.886 -0.982) 1.777 3.685 ( -2.778 -2.335 1.733) 4.022 3.712 ( 3.269 -1.353 -0.585) 3.585 3.768 ( 0.536 0.151 3.045) 3.096 3.797 ( 0.389 0.417 0.831) 1.008 3.824 ( 0.782 -1.211 0.632) 1.574 3.843 ( 0.315 -3.159 0.802) 3.274 3.869 ( 1.080 0.193 0.418) 1.174 3.945 ( 1.027 -1.877 0.646) 2.235 3.973 ( -1.702 1.482 -1.294) 2.601 4.050 ( 1.812 0.863 -4.824) 5.225 4.073 ( -2.645 -1.267 4.218) 5.137 4.091 ( 1.234 3.810 5.186) 6.552 4.179 ( 1.027 -2.392 -1.037) 2.803 4.208 ( -0.069 2.435 -1.419) 2.819 4.252 ( 1.719 -1.411 2.117) 3.071 4.287 ( -0.111 0.405 -1.190) 1.262 4.338 ( -2.869 0.152 0.866) 3.001 4.347 ( 4.925 -2.277 2.123) 5.826 4.410 ( -1.910 -0.769 -0.059) 2.060 4.429 ( -1.136 -1.172 1.261) 2.062 4.457 ( 3.762 3.139 -7.643) 9.078 4.493 ( -2.451 1.900 -2.888) 4.237 4.587 ( -4.366 0.616 -2.423) 5.031 4.663 ( 0.061 -3.692 -6.546) 7.516 4.740 ( 1.055 -1.611 4.150) 4.575 4.776 ( -3.233 -1.100 1.812) 3.866 4.821 ( 0.300 2.682 -0.728) 2.795 4.869 ( 2.284 -0.200 -3.425) 4.122 4.905 ( -0.250 -0.189 0.041) 0.316 4.928 ( 2.531 -2.673 -1.773) 4.086 4.976 ( 1.741 -1.132 1.779) 2.735 5.022 ( -4.403 -3.181 -1.295) 5.584 5.124 ( 1.184 1.673 5.343) 5.722 5.134 ( -1.559 0.210 1.673) 2.296 5.184 ( 3.962 1.249 0.413) 4.174 5.208 ( -1.693 -0.868 2.886) 3.457 5.259 ( -0.588 -1.006 3.097) 3.309 5.287 ( 0.730 -1.494 0.485) 1.732 5.338 ( -0.446 -0.775 -0.244) 0.927 5.363 ( -1.413 -2.588 -2.214) 3.687 5.410 ( -1.794 -1.869 2.235) 3.421 5.424 ( 3.465 -1.626 0.551) 3.867 5.527 ( -1.407 0.819 3.549) 3.904 5.556 ( 0.236 -0.111 0.932) 0.967 5.601 ( -1.603 0.602 -0.705) 1.852 5.622 ( 1.381 0.747 -3.575) 3.904 5.651 ( -0.088 -2.734 0.954) 2.897 5.691 ( 0.655 -1.745 -2.100) 2.808 5.824 ( 2.819 0.631 2.196) 3.628 5.869 ( 0.905 -1.490 0.102) 1.747 5.896 ( -0.497 0.995 -1.574) 1.927 5.918 ( -2.300 -0.346 -2.316) 3.283 6.017 ( -1.550 -0.969 1.462) 2.341 6.032 ( -0.088 -1.756 0.640) 1.871 6.111 ( -0.430 -0.524 -0.139) 0.692 6.130 ( 1.646 -1.418 -1.296) 2.530 6.222 ( -0.267 -0.133 0.317) 0.435 6.233 ( -0.159 -0.564 -0.395) 0.707 6.247 ( 0.035 -0.733 0.326) 0.803 6.260 ( 0.448 -0.715 -0.562) 1.014 6.390 ( 0.158 0.500 1.176) 1.287 6.398 ( 0.358 0.165 0.923) 1.004 6.465 ( -0.992 0.530 -1.431) 1.820 6.465 ( 0.345 0.665 -1.349) 1.543 6.517 ( 0.144 1.037 0.400) 1.121 6.523 ( -0.074 0.756 -0.188) 0.782 6.540 ( -0.830 -0.524 0.593) 1.147 6.547 ( 0.683 -0.675 -0.080) 0.964 6.687 ( -0.597 2.088 0.349) 2.199 6.698 ( 0.691 1.643 -0.319) 1.810 6.724 ( -0.468 1.307 0.181) 1.400 6.727 ( -0.109 0.787 -0.091) 0.800 6.745 ( 0.884 0.970 0.712) 1.493 6.765 ( 0.670 0.486 0.115) 0.836 6.797 ( -0.528 1.211 -0.329) 1.361 6.814 ( -0.668 0.318 -1.046) 1.281 6.999 ( 1.021 2.556 0.881) 2.889 7.015 ( -0.770 3.006 -0.449) 3.136 7.053 ( 0.118 0.347 0.988) 1.054 7.077 ( -0.218 0.245 -0.816) 0.880 7.116 ( 0.362 1.802 0.045) 1.839 7.120 ( 0.054 2.189 -0.308) 2.211 7.149 ( 0.073 0.560 -0.211) 0.602 7.151 ( -0.586 1.623 -0.270) 1.746 7.184 ( -0.409 -0.005 1.004) 1.084 7.198 ( 0.607 -1.175 -0.160) 1.332 7.225 ( -0.330 -2.053 0.587) 2.161 7.245 ( 0.256 -0.765 -0.914) 1.219 7.356 ( -0.114 -0.344 0.986) 1.051 7.365 ( 2.081 -1.154 0.121) 2.383 7.380 ( -1.604 -0.887 0.095) 1.836 7.382 ( -0.388 -1.671 -0.309) 1.743 7.468 ( 0.084 0.540 0.899) 1.052 7.481 ( 0.223 0.722 -0.420) 0.865 7.503 ( -0.147 -1.132 -0.218) 1.162 7.522 ( -0.062 -0.498 -1.322) 1.414 7.649 ( 0.214 2.734 1.176) 2.984 7.682 ( -0.334 1.691 -1.208) 2.105 7.700 ( -0.355 0.972 0.905) 1.375 7.732 ( 0.473 -0.545 -1.376) 1.554 ======================= Grid point 61 (29/35) ======================= q-point: ( 0.25 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( 3.692 10.542 4.431) 12.017 1.212 ( 0.410 5.488 0.702) 5.548 1.271 ( 7.193 10.753 3.881) 13.506 1.331 ( 0.561 7.495 -4.954) 9.001 1.391 ( 6.169 3.449 -2.832) 7.614 1.468 ( -2.051 4.293 -2.881) 5.562 1.525 ( -6.410 0.509 -1.147) 6.532 1.563 ( -0.830 -1.893 1.310) 2.447 1.585 ( -0.759 -0.903 0.253) 1.207 1.647 ( -3.172 5.238 -2.556) 6.635 1.694 ( -0.077 4.605 2.159) 5.087 1.706 ( 0.583 2.251 0.818) 2.465 1.753 ( 0.563 -1.485 1.634) 2.279 1.788 ( -0.407 5.579 1.019) 5.686 1.827 ( -1.895 -2.521 0.040) 3.154 1.853 ( 1.239 1.693 0.694) 2.210 1.877 ( 0.473 4.724 -1.006) 4.853 1.949 ( 4.670 0.507 -0.639) 4.740 2.006 ( -3.056 0.912 0.828) 3.295 2.031 ( 2.779 3.912 1.294) 4.970 2.098 ( 1.407 0.165 -0.528) 1.512 2.118 ( 0.507 1.341 -1.174) 1.853 2.139 ( 1.738 -2.233 1.771) 3.338 2.179 ( 2.570 -0.934 1.414) 3.078 2.197 ( 3.235 1.431 -1.520) 3.850 2.233 ( 3.422 -1.963 0.665) 4.001 2.300 ( 0.075 1.036 -2.317) 2.539 2.321 ( 1.476 0.042 -1.108) 1.846 2.361 ( -2.212 4.496 0.451) 5.031 2.429 ( 2.269 2.827 -0.037) 3.625 2.444 ( -1.836 0.599 -0.285) 1.952 2.489 ( 0.854 -1.869 -1.572) 2.588 2.505 ( 1.744 0.701 1.800) 2.603 2.558 ( -0.730 -0.032 0.873) 1.138 2.580 ( 0.470 -4.505 1.562) 4.792 2.606 ( -0.941 -1.201 2.032) 2.541 2.647 ( -1.852 -1.452 1.490) 2.785 2.674 ( -0.115 -2.566 1.421) 2.936 2.683 ( -0.523 -4.045 -0.350) 4.094 2.717 ( -2.115 -0.392 -1.590) 2.675 2.760 ( -1.029 -0.699 -2.490) 2.784 2.804 ( -0.998 0.591 1.914) 2.238 2.829 ( -1.037 0.556 1.259) 1.724 2.876 ( -1.372 -0.944 -0.347) 1.702 2.894 ( 0.518 -3.906 -1.031) 4.073 2.935 ( -1.184 1.657 1.236) 2.382 2.968 ( -0.435 -2.984 -1.753) 3.488 2.971 ( 0.811 0.970 0.106) 1.269 2.993 ( 1.191 -0.331 -2.724) 2.992 3.018 ( 1.687 0.579 -1.962) 2.652 3.077 ( 2.142 -0.222 1.076) 2.408 3.102 ( -1.402 -1.000 -1.161) 2.076 3.132 ( -1.514 2.151 -1.873) 3.229 3.165 ( 1.251 2.557 1.556) 3.244 3.205 ( -2.370 1.159 1.485) 3.028 3.242 ( -0.803 2.298 -0.860) 2.581 3.257 ( -4.814 1.096 -1.530) 5.169 3.294 ( -4.307 0.886 -1.793) 4.749 3.314 ( -3.987 -2.325 1.486) 4.849 3.355 ( 0.793 -0.191 0.269) 0.859 3.386 ( -0.631 -1.942 -2.063) 2.903 3.405 ( 2.603 -3.337 2.381) 4.856 3.440 ( -1.723 -3.097 0.902) 3.658 3.480 ( -2.364 -0.372 -0.019) 2.393 3.495 ( 2.943 0.039 -1.915) 3.511 3.570 ( -1.183 0.396 1.456) 1.918 3.580 ( 0.879 -2.289 -1.587) 2.920 3.587 ( -1.154 0.595 0.200) 1.314 3.659 ( 0.318 -2.284 3.167) 3.918 3.725 ( -3.235 3.119 0.466) 4.518 3.762 ( -0.314 0.845 -0.435) 1.001 3.800 ( 1.047 -0.873 -1.544) 2.060 3.839 ( -0.282 -1.883 -2.182) 2.896 3.854 ( -1.148 -1.065 5.031) 5.269 3.901 ( 1.035 -1.408 -0.428) 1.800 3.947 ( -0.187 -1.207 -0.256) 1.248 3.962 ( 1.617 0.089 0.548) 1.710 4.019 ( -2.898 -2.704 0.366) 3.980 4.033 ( -2.070 1.704 4.320) 5.085 4.069 ( 0.458 1.127 -3.599) 3.799 4.167 ( -4.465 1.692 -3.909) 6.171 4.180 ( -1.889 -0.446 0.518) 2.009 4.215 ( -2.954 0.341 -2.442) 3.848 4.252 ( -1.359 -1.323 -1.765) 2.591 4.326 ( -1.879 -2.994 -2.625) 4.403 4.340 ( -3.291 0.979 0.106) 3.435 4.407 ( 0.062 -0.106 -1.273) 1.279 4.440 ( 1.302 -2.499 -1.495) 3.190 4.490 ( 3.770 0.521 0.937) 3.919 4.550 ( 5.003 -0.017 -1.701) 5.284 4.623 ( 6.146 3.486 3.147) 7.735 4.689 ( 3.552 -1.313 -1.363) 4.024 4.762 ( -1.027 -0.255 1.309) 1.684 4.778 ( 0.861 -1.028 2.600) 2.925 4.840 ( 3.547 0.875 1.733) 4.044 4.909 ( 0.845 -0.997 -0.872) 1.571 4.915 ( -0.653 -0.407 -1.163) 1.394 4.950 ( -0.671 -1.349 0.681) 1.653 4.980 ( -1.158 -1.857 -1.459) 2.630 5.022 ( 1.607 -1.885 4.449) 5.093 5.105 ( 1.064 0.130 -0.030) 1.072 5.117 ( 0.438 -0.488 1.623) 1.750 5.185 ( 0.512 1.612 4.872) 5.157 5.237 ( -0.156 -1.605 1.857) 2.459 5.297 ( 1.095 -1.439 -2.623) 3.186 5.309 ( -0.961 -1.103 -1.142) 1.856 5.339 ( 4.843 -0.527 3.273) 5.869 5.354 ( 2.192 -1.528 -0.559) 2.730 5.396 ( 0.824 -0.106 -2.784) 2.905 5.472 ( -1.434 -0.574 1.993) 2.521 5.540 ( 0.018 -0.135 -0.965) 0.975 5.549 ( -1.296 -0.807 0.254) 1.548 5.569 ( 2.113 0.546 1.044) 2.420 5.636 ( 0.208 -1.503 -0.863) 1.745 5.659 ( 0.576 -2.220 -0.092) 2.295 5.693 ( -0.505 -1.829 -2.079) 2.815 5.833 ( -2.838 0.229 -1.393) 3.169 5.869 ( -1.604 -0.640 -2.745) 3.243 5.885 ( 2.494 1.122 0.715) 2.827 5.926 ( 1.587 -0.203 1.209) 2.006 5.976 ( -1.941 -0.586 0.528) 2.095 5.999 ( -2.915 -1.350 1.118) 3.401 6.081 ( -1.852 -0.709 -0.564) 2.062 6.113 ( -2.806 -1.898 -0.044) 3.388 6.228 ( 0.723 -0.427 0.443) 0.949 6.241 ( 0.538 -0.782 0.379) 1.022 6.263 ( 1.663 -0.253 -0.635) 1.798 6.281 ( 1.055 -0.824 -0.340) 1.381 6.380 ( -0.852 0.833 0.962) 1.531 6.398 ( -0.336 0.474 1.304) 1.427 6.445 ( -0.634 1.158 -1.667) 2.127 6.463 ( -0.824 0.135 -0.885) 1.217 6.524 ( 0.815 0.594 -0.025) 1.009 6.531 ( 0.185 0.289 0.052) 0.347 6.548 ( 1.710 0.372 0.294) 1.774 6.577 ( 1.770 -0.707 0.123) 1.910 6.673 ( -0.637 1.847 0.263) 1.972 6.696 ( -0.393 1.246 0.272) 1.335 6.714 ( -0.308 1.482 -0.265) 1.536 6.720 ( -0.960 0.583 -0.104) 1.128 6.760 ( 0.382 1.141 0.954) 1.535 6.774 ( 0.183 0.643 -0.716) 0.979 6.791 ( 0.023 1.112 1.127) 1.583 6.814 ( 0.650 0.135 -1.522) 1.660 7.013 ( 0.682 3.026 -0.559) 3.152 7.026 ( 1.252 2.577 0.641) 2.936 7.066 ( 0.998 1.672 0.190) 1.956 7.087 ( -0.725 0.766 0.016) 1.054 7.095 ( -1.095 1.281 0.004) 1.685 7.109 ( -0.226 0.788 -0.302) 0.874 7.143 ( -0.094 0.426 -0.006) 0.436 7.144 ( -0.034 1.359 -0.335) 1.400 7.178 ( -0.109 -0.944 0.881) 1.296 7.203 ( -0.397 -2.369 0.497) 2.453 7.221 ( -0.214 -0.643 -0.297) 0.740 7.248 ( -0.888 -2.078 -0.492) 2.312 7.344 ( 0.188 0.461 0.673) 0.837 7.355 ( 0.960 0.215 -0.610) 1.157 7.393 ( -0.279 -1.110 0.570) 1.278 7.421 ( 1.851 -2.191 -0.196) 2.875 7.459 ( -0.922 0.855 0.113) 1.262 7.479 ( -0.414 0.057 0.768) 0.875 7.495 ( 0.794 1.072 -0.891) 1.605 7.532 ( 0.170 -0.889 -0.821) 1.222 7.650 ( 0.036 2.100 1.142) 2.391 7.670 ( -0.844 1.301 0.013) 1.551 7.683 ( -1.103 1.541 -0.525) 1.966 7.725 ( -1.085 -0.517 -1.112) 1.637 ======================= Grid point 62 (30/35) ======================= q-point: (-0.50 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 6.090 7.649 -0.056) 9.777 1.211 ( -0.513 5.571 -1.918) 5.914 1.286 ( -7.774 11.053 1.781) 13.630 1.330 ( 0.022 8.492 -0.694) 8.520 1.404 ( 3.459 4.502 1.287) 5.822 1.462 ( -2.095 1.557 -1.520) 3.021 1.524 ( -5.456 0.139 -1.822) 5.754 1.528 ( 4.230 1.655 -0.807) 4.613 1.596 ( -0.155 3.949 1.098) 4.102 1.616 ( -0.724 3.249 0.859) 3.438 1.650 ( 1.580 0.812 0.744) 1.926 1.739 ( 1.164 3.528 2.148) 4.291 1.763 ( -1.249 3.950 -2.911) 5.063 1.787 ( 1.260 0.291 -1.137) 1.722 1.837 ( 3.214 1.220 -0.768) 3.523 1.861 ( 0.714 2.287 -2.068) 3.165 1.922 ( 2.754 -1.308 2.955) 4.246 1.941 ( -2.819 2.446 0.539) 3.771 2.016 ( -0.314 -2.696 1.898) 3.312 2.038 ( -0.254 1.626 -0.395) 1.692 2.086 ( -1.891 -1.507 2.061) 3.178 2.111 ( -1.132 -1.055 0.205) 1.561 2.192 ( -1.084 1.888 0.108) 2.180 2.207 ( 2.190 2.100 -1.234) 3.276 2.238 ( -2.120 1.493 1.438) 2.965 2.275 ( 2.170 -1.128 0.429) 2.483 2.288 ( 0.017 0.834 -0.673) 1.072 2.324 ( -2.799 0.066 -1.998) 3.439 2.382 ( 4.161 -0.434 1.388) 4.408 2.419 ( 0.988 1.723 -0.393) 2.025 2.457 ( -1.013 3.299 -1.370) 3.713 2.467 ( -4.266 0.714 -1.622) 4.620 2.525 ( -0.315 0.563 4.462) 4.509 2.568 ( -0.291 2.307 2.594) 3.483 2.585 ( 1.742 -0.862 0.770) 2.090 2.613 ( 1.096 -1.672 1.713) 2.633 2.619 ( 3.033 0.809 0.480) 3.175 2.644 ( -2.204 -6.001 1.178) 6.501 2.666 ( -0.806 2.623 -2.738) 3.876 2.686 ( 0.276 -6.016 -1.745) 6.270 2.774 ( 0.065 -2.965 0.213) 2.973 2.795 ( -0.208 -0.999 -0.480) 1.127 2.812 ( 0.405 -1.585 0.781) 1.813 2.827 ( -1.506 2.113 -0.812) 2.719 2.880 ( 0.300 -4.748 2.991) 5.620 2.936 ( -2.501 -4.714 0.510) 5.361 2.948 ( 0.688 -1.149 -1.752) 2.205 2.980 ( -0.331 -0.756 -2.392) 2.530 3.021 ( -2.359 1.712 2.747) 4.005 3.027 ( -1.042 2.159 1.591) 2.878 3.097 ( 0.514 3.404 0.820) 3.539 3.132 ( 4.864 1.452 -3.647) 6.251 3.140 ( 2.054 1.794 -3.796) 4.674 3.167 ( 0.826 2.408 -0.415) 2.580 3.198 ( -2.657 2.438 -0.958) 3.731 3.202 ( 0.373 -0.531 2.259) 2.350 3.204 ( -0.929 0.693 -2.540) 2.792 3.255 ( 0.625 1.616 0.692) 1.866 3.272 ( 1.584 -2.412 0.044) 2.886 3.356 ( -1.202 -1.453 -2.819) 3.391 3.371 ( -3.268 -2.022 0.737) 3.913 3.404 ( 2.225 -2.524 -1.466) 3.670 3.431 ( 0.316 -3.196 3.205) 4.538 3.458 ( 2.200 -2.008 2.039) 3.609 3.513 ( -0.882 0.104 -2.297) 2.463 3.543 ( -0.176 2.061 -2.217) 3.032 3.604 ( 0.518 1.031 2.656) 2.896 3.618 ( 1.453 -0.877 0.535) 1.780 3.670 ( -0.258 -0.281 1.573) 1.619 3.702 ( 0.866 3.463 -1.983) 4.084 3.746 ( 0.128 0.421 0.966) 1.061 3.791 ( -3.649 -2.556 -0.380) 4.471 3.799 ( -0.385 0.361 -0.922) 1.062 3.855 ( 2.633 -2.339 -3.436) 4.920 3.918 ( -0.259 -3.509 2.201) 4.150 3.947 ( -1.856 -0.005 2.445) 3.070 3.957 ( -0.607 0.207 0.288) 0.703 3.975 ( -1.088 -1.348 -1.057) 2.029 4.043 ( 1.272 -0.310 1.707) 2.152 4.096 ( -2.588 1.433 -1.771) 3.448 4.105 ( 3.479 -1.444 -2.894) 4.750 4.146 ( 0.285 0.039 -3.850) 3.861 4.175 ( -1.379 -0.245 0.957) 1.696 4.229 ( -1.934 -0.042 -1.373) 2.372 4.281 ( -0.422 -1.748 0.030) 1.799 4.327 ( 0.685 -2.706 -2.177) 3.540 4.419 ( 0.775 -0.115 -1.976) 2.126 4.436 ( -0.308 -0.684 -3.521) 3.600 4.572 ( 2.460 -0.506 2.135) 3.296 4.601 ( -1.138 -1.064 0.366) 1.601 4.690 ( 0.939 2.820 3.503) 4.594 4.717 ( -1.677 0.279 0.150) 1.707 4.795 ( 3.908 1.913 -0.481) 4.377 4.801 ( 1.730 -1.179 2.483) 3.248 4.858 ( -1.299 -2.175 -0.232) 2.544 4.873 ( -2.225 -2.975 0.675) 3.776 4.926 ( -1.237 -0.969 -0.187) 1.582 4.945 ( 0.668 -0.510 1.905) 2.082 4.978 ( 2.480 1.475 3.238) 4.337 5.033 ( 0.799 0.251 3.247) 3.353 5.110 ( -0.121 -0.488 3.344) 3.381 5.150 ( -3.476 -1.206 2.069) 4.221 5.194 ( 1.728 -0.588 3.165) 3.653 5.236 ( 0.887 0.020 1.889) 2.087 5.257 ( -3.277 -1.843 -1.254) 3.963 5.280 ( -1.397 -2.747 -3.416) 4.601 5.399 ( -2.170 2.330 -0.273) 3.195 5.401 ( 0.149 1.890 1.349) 2.326 5.447 ( 3.592 0.403 -1.898) 4.083 5.481 ( 4.021 -1.946 -1.096) 4.599 5.508 ( -0.741 -0.674 -0.879) 1.333 5.518 ( -1.178 -0.739 -2.321) 2.706 5.632 ( -0.536 -1.227 -1.586) 2.075 5.635 ( 0.381 -2.549 0.460) 2.618 5.658 ( -0.439 -3.299 0.081) 3.329 5.667 ( -0.436 -3.208 -2.291) 3.966 5.798 ( -0.813 1.719 0.744) 2.042 5.840 ( -1.093 0.459 -2.314) 2.600 5.920 ( -1.089 0.688 1.040) 1.655 5.939 ( 2.197 0.254 -0.164) 2.217 5.961 ( -0.011 -0.490 0.509) 0.707 5.972 ( 1.632 -0.715 -0.761) 1.937 6.053 ( -1.841 -1.296 1.652) 2.793 6.076 ( 0.701 -2.253 -0.248) 2.372 6.242 ( 0.582 -0.635 0.325) 0.921 6.246 ( -0.096 -0.876 0.178) 0.899 6.281 ( -1.193 -0.230 0.108) 1.220 6.290 ( 0.663 -0.678 -0.391) 1.026 6.369 ( -0.094 0.858 1.591) 1.811 6.386 ( -0.645 0.459 0.742) 1.085 6.443 ( 0.318 1.114 -0.948) 1.497 6.455 ( 0.453 0.707 -1.263) 1.517 6.526 ( -0.369 0.616 0.463) 0.855 6.540 ( 0.317 0.140 -0.742) 0.819 6.578 ( 0.916 0.299 0.556) 1.113 6.588 ( -0.915 -0.119 -0.373) 0.996 6.675 ( 0.875 1.282 0.707) 1.706 6.688 ( -0.800 0.981 -0.064) 1.267 6.706 ( -0.133 0.689 -0.074) 0.706 6.711 ( 0.234 0.967 -0.225) 1.020 6.758 ( -0.400 1.211 0.873) 1.546 6.773 ( -0.496 0.568 0.578) 0.950 6.793 ( 0.292 1.569 0.213) 1.610 6.828 ( 0.526 -0.162 -1.621) 1.712 7.028 ( -0.410 3.312 0.329) 3.353 7.040 ( -0.219 3.171 -0.627) 3.240 7.056 ( 0.961 1.229 0.489) 1.635 7.066 ( -0.284 1.458 -0.201) 1.499 7.105 ( -1.138 0.169 0.267) 1.181 7.115 ( 1.285 0.636 -0.435) 1.498 7.137 ( -0.642 1.330 0.225) 1.494 7.148 ( 0.083 1.122 -0.570) 1.261 7.182 ( 0.753 -1.943 1.444) 2.536 7.198 ( 0.165 -2.419 0.480) 2.472 7.219 ( -1.104 -2.263 -0.424) 2.553 7.222 ( 0.445 -1.329 -0.686) 1.560 7.358 ( -1.470 0.349 0.880) 1.749 7.379 ( 1.229 -0.231 0.393) 1.311 7.389 ( 1.820 -0.081 -0.680) 1.945 7.407 ( -1.744 -0.266 -0.888) 1.975 7.465 ( 0.230 0.224 0.619) 0.697 7.471 ( -0.186 0.008 0.364) 0.409 7.518 ( -0.826 0.360 -0.374) 0.976 7.526 ( 0.984 0.112 -0.722) 1.225 7.643 ( -0.694 1.965 0.778) 2.224 7.669 ( 0.927 0.751 1.224) 1.709 7.676 ( 0.464 1.157 -1.356) 1.842 7.703 ( -0.751 -0.002 -1.186) 1.404 ======================= Grid point 64 (31/35) ======================= q-point: (-0.25 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( -4.454 13.487 5.459) 15.217 1.191 ( -1.347 8.161 -2.482) 8.635 1.279 ( -5.612 5.453 0.051) 7.826 1.298 ( -2.622 4.685 2.181) 5.795 1.370 ( 1.942 3.065 -1.753) 4.030 1.414 ( -4.397 5.167 -2.438) 7.209 1.524 ( 6.261 2.771 -1.156) 6.944 1.565 ( -2.091 -3.093 2.359) 4.416 1.596 ( 3.717 6.840 0.043) 7.785 1.647 ( 4.135 0.536 -2.143) 4.688 1.711 ( 1.565 -0.749 -2.547) 3.081 1.760 ( 0.243 4.495 -0.932) 4.597 1.766 ( 1.730 0.531 2.631) 3.193 1.813 ( -0.062 2.503 0.593) 2.573 1.823 ( -1.900 0.278 -1.122) 2.224 1.854 ( -2.705 4.264 -0.751) 5.105 1.901 ( -1.337 -1.326 -0.674) 2.000 1.927 ( -4.324 1.682 0.714) 4.694 1.986 ( -0.650 1.444 1.917) 2.486 2.043 ( -0.727 2.058 -0.359) 2.212 2.059 ( 0.648 0.438 1.180) 1.415 2.117 ( 1.644 3.839 -0.110) 4.177 2.133 ( -1.528 0.344 2.123) 2.638 2.166 ( -3.021 1.257 0.441) 3.302 2.215 ( -4.413 -0.838 -1.564) 4.756 2.260 ( -3.386 -1.134 1.082) 3.731 2.284 ( 1.502 1.346 0.426) 2.061 2.307 ( -1.553 -1.275 -3.922) 4.407 2.388 ( 0.205 4.410 -1.293) 4.600 2.421 ( -1.258 0.382 0.678) 1.479 2.435 ( -0.562 2.582 0.920) 2.798 2.445 ( 1.400 -2.197 1.379) 2.948 2.504 ( 0.032 -0.900 1.865) 2.071 2.579 ( -1.860 -2.413 -2.460) 3.916 2.604 ( 1.013 -3.768 0.573) 3.943 2.621 ( 0.255 -4.808 1.286) 4.983 2.654 ( -0.093 0.803 1.152) 1.407 2.669 ( 1.122 -4.488 3.076) 5.555 2.698 ( 1.858 -1.126 0.464) 2.221 2.706 ( -0.264 2.595 -0.531) 2.662 2.718 ( 3.227 1.228 -1.763) 3.877 2.797 ( -1.447 -1.068 2.673) 3.222 2.842 ( 0.185 -2.416 0.789) 2.548 2.863 ( 4.172 -0.034 -1.197) 4.340 2.890 ( -0.392 -0.050 -2.228) 2.263 2.913 ( 0.614 -2.771 3.163) 4.250 2.947 ( -0.253 3.111 -0.618) 3.182 2.959 ( 0.904 -1.712 -0.511) 2.002 2.990 ( 0.072 -2.157 -2.574) 3.359 3.045 ( 0.694 -0.136 0.658) 0.966 3.077 ( -1.988 0.261 -2.214) 2.987 3.136 ( -2.561 2.611 -1.002) 3.792 3.151 ( 0.220 0.292 -2.681) 2.706 3.167 ( 0.585 0.465 -1.293) 1.493 3.188 ( 0.147 -1.560 1.765) 2.360 3.224 ( 2.112 1.025 1.500) 2.785 3.249 ( 1.842 0.368 1.039) 2.147 3.264 ( 2.682 1.245 -1.480) 3.307 3.344 ( -0.585 -1.498 0.972) 1.879 3.347 ( 4.093 -0.200 -0.390) 4.117 3.397 ( 3.224 -1.392 -2.239) 4.165 3.420 ( -0.406 -4.403 0.206) 4.427 3.463 ( 0.086 2.291 0.747) 2.411 3.497 ( 0.288 0.890 -0.935) 1.322 3.524 ( -0.529 -0.191 -3.505) 3.549 3.555 ( 5.162 -1.495 1.356) 5.542 3.583 ( -0.677 0.853 0.030) 1.089 3.609 ( -1.678 0.037 -1.005) 1.956 3.697 ( 3.301 0.560 2.245) 4.031 3.712 ( -1.166 -1.186 -1.046) 1.964 3.741 ( -1.066 -0.195 0.484) 1.187 3.778 ( 2.723 -0.253 1.200) 2.987 3.811 ( 1.627 -0.295 -1.617) 2.313 3.856 ( -4.211 -0.091 4.111) 5.885 3.886 ( -1.854 -3.244 2.056) 4.264 3.941 ( 1.272 -0.008 0.605) 1.409 3.959 ( 1.394 -2.067 -0.746) 2.602 4.000 ( 3.509 0.630 1.844) 4.013 4.040 ( -0.608 2.138 -1.667) 2.778 4.105 ( 0.987 -0.354 1.576) 1.893 4.163 ( 0.711 -2.775 -2.858) 4.046 4.174 ( 2.646 1.613 -1.415) 3.407 4.182 ( 3.983 -1.739 -0.846) 4.427 4.224 ( 2.822 0.754 -0.036) 2.921 4.298 ( 1.199 -1.820 -1.180) 2.479 4.355 ( 2.501 -1.971 -0.344) 3.203 4.423 ( -0.745 2.421 -2.371) 3.470 4.438 ( -0.085 -0.759 -2.917) 3.015 4.513 ( -6.376 -0.063 1.180) 6.485 4.545 ( -3.369 -1.977 -1.682) 4.253 4.677 ( -1.793 0.907 -1.212) 2.346 4.712 ( -6.153 -0.858 -1.460) 6.382 4.753 ( 1.627 1.167 3.685) 4.194 4.794 ( -1.798 -2.823 0.605) 3.401 4.873 ( -0.738 -0.085 -0.099) 0.749 4.889 ( -3.429 -0.865 0.821) 3.630 4.900 ( 0.338 -1.350 1.657) 2.164 4.920 ( -0.333 0.260 -0.247) 0.489 4.989 ( -4.008 0.246 -3.761) 5.502 5.060 ( 3.633 1.824 1.491) 4.330 5.080 ( 1.529 0.168 5.538) 5.747 5.105 ( -2.043 -1.900 1.509) 3.172 5.189 ( -2.020 -1.111 0.451) 2.349 5.224 ( 0.450 -2.504 3.842) 4.608 5.267 ( 1.513 -1.050 1.355) 2.286 5.282 ( 1.598 -1.817 -1.070) 2.645 5.319 ( -3.428 2.588 1.540) 4.562 5.412 ( -2.743 -1.001 -1.600) 3.330 5.427 ( -0.670 0.209 2.734) 2.823 5.462 ( -3.988 -0.559 -3.726) 5.487 5.528 ( 1.711 -1.122 1.939) 2.819 5.575 ( 2.592 -1.198 -3.118) 4.227 5.593 ( -1.968 -0.045 -0.667) 2.078 5.620 ( -1.186 -1.347 -0.151) 1.802 5.654 ( -0.046 -2.571 0.695) 2.664 5.676 ( 0.527 -2.508 -1.150) 2.809 5.790 ( 0.483 1.429 1.676) 2.254 5.841 ( 1.081 -0.138 -1.042) 1.508 5.910 ( -0.251 1.014 -0.830) 1.335 5.950 ( -0.846 -0.792 -0.451) 1.243 5.995 ( 2.650 -0.479 -0.437) 2.728 6.027 ( 1.514 -1.721 -0.232) 2.304 6.060 ( 3.735 -0.241 0.210) 3.748 6.102 ( 1.338 -2.024 0.570) 2.492 6.236 ( -0.902 -0.510 0.484) 1.144 6.247 ( -0.153 -0.647 0.176) 0.688 6.250 ( -1.379 -0.197 -0.323) 1.430 6.278 ( -1.585 -0.932 -0.255) 1.856 6.377 ( 0.774 0.586 1.517) 1.801 6.386 ( 0.611 0.220 0.762) 1.001 6.457 ( 0.768 1.206 -1.333) 1.955 6.467 ( 0.566 0.252 -1.395) 1.526 6.518 ( -0.399 0.907 0.300) 1.035 6.536 ( -0.574 0.717 -0.092) 0.923 6.555 ( -1.805 -0.383 -0.418) 1.892 6.572 ( -1.581 -0.350 0.600) 1.726 6.680 ( 0.489 1.379 -0.167) 1.472 6.690 ( 0.405 1.626 0.598) 1.779 6.712 ( 0.553 1.187 -0.279) 1.339 6.725 ( 1.120 0.674 -0.178) 1.319 6.751 ( -0.920 1.163 0.541) 1.579 6.758 ( -0.267 0.490 1.225) 1.347 6.801 ( 0.225 1.292 -0.525) 1.412 6.828 ( -0.493 0.144 -1.290) 1.388 7.001 ( -1.232 2.356 0.255) 2.670 7.032 ( -0.728 3.292 0.108) 3.374 7.065 ( -1.329 0.832 0.226) 1.584 7.087 ( 1.504 0.601 0.014) 1.619 7.098 ( 0.953 1.773 -0.114) 2.016 7.108 ( -0.671 1.836 -0.270) 1.973 7.137 ( 0.927 0.823 0.086) 1.243 7.149 ( 0.014 0.239 -0.393) 0.460 7.187 ( -0.177 -0.174 0.912) 0.945 7.199 ( -0.219 -1.489 0.005) 1.505 7.227 ( 0.886 -2.828 -0.178) 2.969 7.238 ( 0.850 -1.538 -0.225) 1.771 7.329 ( -0.218 0.715 0.723) 1.040 7.367 ( -1.134 0.491 -0.421) 1.306 7.398 ( -0.680 -2.079 0.347) 2.214 7.418 ( -0.197 -1.301 -0.176) 1.327 7.461 ( 0.280 0.888 0.162) 0.945 7.473 ( 0.277 -0.019 0.512) 0.582 7.497 ( -0.382 0.699 -0.524) 0.953 7.536 ( -0.398 -0.842 -1.002) 1.368 7.641 ( 0.409 2.731 1.116) 2.979 7.683 ( 0.184 1.232 -1.336) 1.827 7.692 ( 1.134 0.766 1.083) 1.745 7.712 ( 1.328 -0.143 -1.322) 1.879 ======================= Grid point 65 (32/35) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 31 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( -2.795 -4.119 4.511) 6.718 1.226 ( -2.795 4.119 4.511) 6.718 1.351 ( 3.080 -2.796 -0.916) 4.260 1.351 ( 3.080 2.796 -0.916) 4.260 1.403 ( 1.628 -5.148 -0.358) 5.411 1.403 ( 1.628 5.148 -0.358) 5.411 1.558 ( -2.512 -7.213 -3.583) 8.437 1.558 ( -2.512 7.213 -3.583) 8.437 1.651 ( 0.924 -1.433 1.288) 2.137 1.651 ( 0.924 1.433 1.288) 2.137 1.738 ( -0.780 -1.346 0.308) 1.586 1.738 ( -0.780 1.346 0.308) 1.586 1.802 ( -1.866 -2.852 0.264) 3.418 1.802 ( -1.866 2.852 0.264) 3.418 1.838 ( 1.879 -0.831 -0.836) 2.218 1.838 ( 1.879 0.831 -0.836) 2.218 1.935 ( 0.598 -0.870 -0.378) 1.121 1.935 ( 0.598 0.870 -0.378) 1.121 2.054 ( 0.232 -0.878 0.925) 1.296 2.054 ( 0.232 0.878 0.925) 1.296 2.108 ( -1.282 -2.363 0.324) 2.707 2.108 ( -1.282 2.363 0.324) 2.707 2.146 ( 0.634 -1.190 -0.856) 1.597 2.146 ( 0.634 1.190 -0.856) 1.597 2.182 ( -1.930 -0.877 -0.603) 2.204 2.182 ( -1.930 0.877 -0.603) 2.204 2.285 ( 1.144 -0.749 -1.041) 1.718 2.285 ( 1.144 0.749 -1.041) 1.718 2.436 ( 1.406 -1.112 1.886) 2.602 2.436 ( 1.406 1.112 1.886) 2.602 2.460 ( 0.064 -1.029 0.063) 1.032 2.460 ( 0.064 1.029 0.063) 1.032 2.498 ( -0.414 -1.758 -0.264) 1.825 2.498 ( -0.414 1.758 -0.264) 1.825 2.539 ( 0.216 -0.910 0.329) 0.992 2.539 ( 0.216 0.910 0.329) 0.992 2.647 ( -0.650 -1.834 2.020) 2.805 2.647 ( -0.650 1.834 2.020) 2.805 2.705 ( 0.022 -1.961 -1.167) 2.282 2.705 ( 0.022 1.961 -1.167) 2.282 2.786 ( 0.669 -0.400 -1.148) 1.387 2.786 ( 0.669 0.400 -1.148) 1.387 2.869 ( 0.680 -2.785 2.430) 3.758 2.869 ( 0.680 2.785 2.430) 3.758 2.916 ( -1.595 -1.991 -0.411) 2.584 2.916 ( -1.595 1.991 -0.411) 2.584 2.957 ( 1.245 -3.110 -0.267) 3.361 2.957 ( 1.245 3.110 -0.267) 3.361 3.031 ( 0.604 -2.416 -0.891) 2.645 3.031 ( 0.604 2.416 -0.891) 2.645 3.065 ( -1.333 -3.228 -3.906) 5.239 3.065 ( -1.333 3.228 -3.906) 5.239 3.197 ( 2.699 -3.091 2.999) 5.083 3.197 ( 2.699 3.091 2.999) 5.083 3.230 ( -1.390 -4.851 0.659) 5.089 3.230 ( -1.390 4.851 0.659) 5.089 3.285 ( 0.826 -1.376 1.651) 2.303 3.285 ( 0.826 1.376 1.651) 2.303 3.344 ( 1.394 -2.822 0.337) 3.166 3.344 ( 1.394 2.822 0.337) 3.166 3.390 ( -1.854 -0.870 -3.096) 3.712 3.390 ( -1.854 0.870 -3.096) 3.712 3.437 ( -2.144 -1.787 -3.921) 4.813 3.437 ( -2.144 1.787 -3.921) 4.813 3.572 ( -1.182 -2.186 0.918) 2.649 3.572 ( -1.182 2.186 0.918) 2.649 3.611 ( -1.239 -0.671 1.035) 1.748 3.611 ( -1.239 0.671 1.035) 1.748 3.668 ( 0.846 -2.366 0.033) 2.513 3.668 ( 0.846 2.366 0.033) 2.513 3.780 ( 1.844 -1.847 1.687) 3.108 3.780 ( 1.844 1.847 1.687) 3.108 3.814 ( -0.240 -0.337 -1.018) 1.098 3.814 ( -0.240 0.337 -1.018) 1.098 3.904 ( 1.087 -2.457 2.350) 3.569 3.904 ( 1.087 2.457 2.350) 3.569 4.003 ( -2.426 -2.293 0.037) 3.338 4.003 ( -2.426 2.293 0.037) 3.338 4.119 ( 0.767 -3.276 -2.164) 4.000 4.119 ( 0.767 3.276 -2.164) 4.000 4.182 ( 2.069 -4.948 5.223) 7.487 4.182 ( 2.069 4.948 5.223) 7.487 4.270 ( 1.729 -3.278 -1.789) 4.115 4.270 ( 1.729 3.278 -1.789) 4.115 4.324 ( -0.786 -1.105 2.444) 2.795 4.324 ( -0.786 1.105 2.444) 2.795 4.419 ( -2.311 -1.106 -0.436) 2.599 4.419 ( -2.311 1.106 -0.436) 2.599 4.501 ( 1.986 -1.269 -5.117) 5.633 4.501 ( 1.986 1.269 -5.117) 5.633 4.610 ( -1.604 -1.840 -5.192) 5.738 4.610 ( -1.604 1.840 -5.192) 5.738 4.743 ( -1.940 -1.736 3.020) 3.987 4.743 ( -1.940 1.736 3.020) 3.987 4.856 ( 3.770 -1.458 -2.889) 4.969 4.856 ( 3.770 1.458 -2.889) 4.969 4.902 ( -0.687 -1.899 1.225) 2.362 4.902 ( -0.687 1.899 1.225) 2.362 4.974 ( -1.705 -1.134 -0.802) 2.200 4.974 ( -1.705 1.134 -0.802) 2.200 5.138 ( -0.668 -0.171 3.356) 3.426 5.138 ( -0.668 0.171 3.356) 3.426 5.199 ( 1.804 -0.254 2.541) 3.127 5.199 ( 1.804 0.254 2.541) 3.127 5.260 ( -0.356 -1.162 0.515) 1.320 5.260 ( -0.356 1.162 0.515) 1.320 5.336 ( -1.002 -0.486 -1.232) 1.661 5.336 ( -1.002 0.486 -1.232) 1.661 5.398 ( 0.198 -0.722 2.196) 2.320 5.398 ( 0.198 0.722 2.196) 2.320 5.547 ( 0.291 -1.075 1.752) 2.076 5.547 ( 0.291 1.075 1.752) 2.076 5.612 ( -0.601 -1.309 0.115) 1.445 5.612 ( -0.601 1.309 0.115) 1.445 5.656 ( 0.756 -2.042 -2.676) 3.450 5.656 ( 0.756 2.042 -2.676) 3.450 5.841 ( 1.725 -1.288 1.030) 2.387 5.841 ( 1.725 1.288 1.030) 2.387 5.910 ( -1.441 -0.512 -2.027) 2.539 5.910 ( -1.441 0.512 -2.027) 2.539 6.010 ( -1.010 -0.401 1.049) 1.510 6.010 ( -1.010 0.401 1.049) 1.510 6.110 ( 0.790 -0.557 -0.609) 1.142 6.110 ( 0.790 0.557 -0.609) 1.142 6.224 ( -0.422 -0.373 0.215) 0.603 6.224 ( -0.422 0.373 0.215) 0.603 6.245 ( 0.463 -0.618 -0.425) 0.881 6.245 ( 0.463 0.618 -0.425) 0.881 6.397 ( 0.387 -0.245 1.307) 1.385 6.397 ( 0.387 0.245 1.307) 1.385 6.470 ( -0.450 -0.101 -1.633) 1.697 6.470 ( -0.450 0.101 -1.633) 1.697 6.530 ( -0.237 -0.326 0.351) 0.534 6.530 ( -0.237 0.326 0.351) 0.534 6.537 ( 0.214 -0.411 0.130) 0.481 6.537 ( 0.214 0.411 0.130) 0.481 6.713 ( -0.125 -0.349 0.010) 0.371 6.713 ( -0.125 0.349 0.010) 0.371 6.736 ( 0.059 -0.101 -0.158) 0.197 6.736 ( 0.059 0.101 -0.158) 0.197 6.762 ( 0.581 -0.672 0.949) 1.300 6.762 ( 0.581 0.672 0.949) 1.300 6.813 ( -0.559 -0.465 -1.196) 1.400 6.813 ( -0.559 0.465 -1.196) 1.400 7.039 ( 0.780 -1.469 0.925) 1.903 7.039 ( 0.780 1.469 0.925) 1.903 7.062 ( -0.616 -1.541 -0.356) 1.697 7.062 ( -0.616 1.541 -0.356) 1.697 7.137 ( 0.017 -0.219 -0.655) 0.691 7.137 ( 0.017 0.219 -0.655) 0.691 7.170 ( -0.053 -0.571 0.070) 0.577 7.170 ( -0.053 0.571 0.070) 0.577 7.187 ( -0.870 -1.458 1.165) 2.059 7.187 ( -0.870 1.458 1.165) 2.059 7.210 ( 0.877 -2.864 -0.666) 3.069 7.210 ( 0.877 2.864 -0.666) 3.069 7.353 ( 0.707 -0.320 0.280) 0.824 7.353 ( 0.707 0.320 0.280) 0.824 7.365 ( -0.752 -0.403 -0.020) 0.854 7.365 ( -0.752 0.403 -0.020) 0.854 7.480 ( 0.047 -0.613 0.726) 0.951 7.480 ( 0.047 0.613 0.726) 0.951 7.509 ( -0.011 -0.905 -1.178) 1.486 7.509 ( -0.011 0.905 -1.178) 1.486 7.688 ( -0.159 -1.153 0.552) 1.288 7.688 ( -0.159 1.153 0.552) 1.288 7.720 ( 0.135 -0.908 -0.772) 1.200 7.720 ( 0.135 0.908 -0.772) 1.200 ======================= Grid point 67 (33/35) ======================= q-point: ( 0.25 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( 2.270 -4.203 2.117) 5.225 1.225 ( 2.270 4.203 2.117) 5.225 1.433 ( 3.294 -2.139 -2.678) 4.754 1.433 ( 3.294 2.139 -2.678) 4.754 1.445 ( 2.926 -3.362 -0.256) 4.464 1.445 ( 2.926 3.362 -0.256) 4.464 1.517 ( -0.900 -3.811 0.591) 3.960 1.517 ( -0.900 3.811 0.591) 3.960 1.623 ( -6.027 -5.755 -1.119) 8.408 1.623 ( -6.027 5.755 -1.119) 8.408 1.698 ( 1.326 -0.321 0.989) 1.685 1.698 ( 1.326 0.321 0.989) 1.685 1.793 ( 0.761 -1.819 0.760) 2.114 1.793 ( 0.761 1.819 0.760) 2.114 1.887 ( 0.942 -4.244 0.131) 4.349 1.887 ( 0.942 4.244 0.131) 4.349 1.929 ( -0.694 -1.249 -0.124) 1.434 1.929 ( -0.694 1.249 -0.124) 1.434 2.057 ( -1.320 -3.140 -0.004) 3.406 2.057 ( -1.320 3.140 -0.004) 3.406 2.112 ( -0.947 -1.293 0.299) 1.631 2.112 ( -0.947 1.293 0.299) 1.631 2.149 ( 4.867 -2.223 1.096) 5.461 2.149 ( 4.867 2.223 1.096) 5.461 2.208 ( 3.088 -0.618 -1.229) 3.380 2.208 ( 3.088 0.618 -1.229) 3.380 2.308 ( 0.533 -0.441 -0.511) 0.860 2.308 ( 0.533 0.441 -0.511) 0.860 2.452 ( -0.203 -2.016 0.346) 2.056 2.452 ( -0.203 2.016 0.346) 2.056 2.483 ( -0.486 -4.141 0.148) 4.172 2.483 ( -0.486 4.141 0.148) 4.172 2.498 ( 3.511 -2.735 0.137) 4.453 2.498 ( 3.511 2.735 0.137) 4.453 2.547 ( 0.508 -1.780 0.318) 1.878 2.547 ( 0.508 1.780 0.318) 1.878 2.615 ( -2.603 -2.373 1.993) 4.047 2.615 ( -2.603 2.373 1.993) 4.047 2.707 ( -0.787 -2.382 -0.409) 2.542 2.707 ( -0.787 2.382 -0.409) 2.542 2.782 ( -0.700 -4.522 -0.706) 4.630 2.782 ( -0.700 4.522 -0.706) 4.630 2.848 ( -1.982 -0.806 1.120) 2.415 2.848 ( -1.982 0.806 1.120) 2.415 2.886 ( -1.727 -2.989 -1.003) 3.595 2.886 ( -1.727 2.989 -1.003) 3.595 2.989 ( -1.790 -1.490 -2.566) 3.465 2.989 ( -1.790 1.490 -2.566) 3.465 3.028 ( 3.925 -3.318 2.030) 5.526 3.028 ( 3.925 3.318 2.030) 5.526 3.072 ( 1.403 -2.501 -3.536) 4.553 3.072 ( 1.403 2.501 -3.536) 4.553 3.191 ( -1.289 -1.940 1.456) 2.747 3.191 ( -1.289 1.940 1.456) 2.747 3.206 ( -2.627 -1.663 1.802) 3.593 3.206 ( -2.627 1.663 1.802) 3.593 3.289 ( -1.488 -1.548 -0.525) 2.210 3.289 ( -1.488 1.548 -0.525) 2.210 3.338 ( 0.073 -3.305 0.037) 3.306 3.338 ( 0.073 3.305 0.037) 3.306 3.353 ( -0.850 -1.767 -3.031) 3.610 3.353 ( -0.850 1.767 -3.031) 3.610 3.446 ( -2.073 -3.011 2.361) 4.352 3.446 ( -2.073 3.011 2.361) 4.352 3.519 ( 0.101 -3.089 -1.410) 3.397 3.519 ( 0.101 3.089 -1.410) 3.397 3.594 ( -0.137 -0.868 0.888) 1.250 3.594 ( -0.137 0.868 0.888) 1.250 3.684 ( 0.514 -5.157 0.716) 5.232 3.684 ( 0.514 5.157 0.716) 5.232 3.795 ( -0.820 -1.963 -2.562) 3.331 3.795 ( -0.820 1.963 -2.562) 3.331 3.826 ( 0.985 -2.539 2.330) 3.584 3.826 ( 0.985 2.539 2.330) 3.584 3.925 ( -3.716 -4.552 3.201) 6.692 3.925 ( -3.716 4.552 3.201) 6.692 3.952 ( 2.381 -0.990 -0.641) 2.657 3.952 ( 2.381 0.990 -0.641) 2.657 4.100 ( -2.853 -0.255 -2.674) 3.919 4.100 ( -2.853 0.255 -2.674) 3.919 4.154 ( -2.240 -2.846 2.178) 4.226 4.154 ( -2.240 2.846 2.178) 4.226 4.234 ( -2.349 -1.694 -3.274) 4.371 4.234 ( -2.349 1.694 -3.274) 4.371 4.314 ( -3.172 -2.584 0.659) 4.145 4.314 ( -3.172 2.584 0.659) 4.145 4.418 ( 0.647 -0.498 -3.479) 3.574 4.418 ( 0.647 0.498 -3.479) 3.574 4.527 ( 3.816 -1.974 -1.753) 4.640 4.527 ( 3.816 1.974 -1.753) 4.640 4.667 ( 5.129 -1.257 -0.038) 5.281 4.667 ( 5.129 1.257 -0.038) 5.281 4.759 ( 1.267 -0.632 1.584) 2.125 4.759 ( 1.267 0.632 1.584) 2.125 4.871 ( -0.794 -2.790 2.272) 3.685 4.871 ( -0.794 2.790 2.272) 3.685 4.924 ( 0.839 -0.954 -1.596) 2.040 4.924 ( 0.839 0.954 -1.596) 2.040 4.984 ( 1.624 -2.035 2.689) 3.742 4.984 ( 1.624 2.035 2.689) 3.742 5.109 ( -0.164 -0.448 1.190) 1.282 5.109 ( -0.164 0.448 1.190) 1.282 5.211 ( 0.233 -1.185 3.815) 4.001 5.211 ( 0.233 1.185 3.815) 4.001 5.287 ( -1.016 -0.735 -3.613) 3.824 5.287 ( -1.016 0.735 -3.613) 3.824 5.332 ( 4.571 -0.300 1.702) 4.886 5.332 ( 4.571 0.300 1.702) 4.886 5.436 ( 1.647 -2.937 0.706) 3.441 5.436 ( 1.647 2.937 0.706) 3.441 5.541 ( -1.183 -0.161 -0.216) 1.213 5.541 ( -1.183 0.161 -0.216) 1.213 5.598 ( -0.325 -2.326 0.365) 2.377 5.598 ( -0.325 2.326 0.365) 2.377 5.658 ( -0.534 -1.573 -2.249) 2.796 5.658 ( -0.534 1.573 -2.249) 2.796 5.847 ( -1.131 -1.243 -1.275) 2.110 5.847 ( -1.131 1.243 -1.275) 2.110 5.911 ( 1.571 -1.262 0.348) 2.045 5.911 ( 1.571 1.262 0.348) 2.045 5.978 ( -1.808 -0.736 0.573) 2.034 5.978 ( -1.808 0.736 0.573) 2.034 6.084 ( -2.768 -1.046 -0.044) 2.959 6.084 ( -2.768 1.046 -0.044) 2.959 6.228 ( 0.580 -0.486 0.332) 0.826 6.228 ( 0.580 0.486 0.332) 0.826 6.266 ( 1.385 -0.607 -0.506) 1.594 6.266 ( 1.385 0.607 -0.506) 1.594 6.395 ( -0.513 -0.637 1.251) 1.494 6.395 ( -0.513 0.637 1.251) 1.494 6.459 ( -0.578 -0.426 -1.299) 1.484 6.459 ( -0.578 0.426 -1.299) 1.484 6.531 ( 0.408 -0.200 -0.166) 0.484 6.531 ( 0.408 0.200 -0.166) 0.484 6.561 ( 1.705 -0.858 0.470) 1.966 6.561 ( 1.705 0.858 0.470) 1.966 6.701 ( -0.664 -0.811 -0.065) 1.050 6.701 ( -0.664 0.811 -0.065) 1.050 6.728 ( -0.923 -0.090 0.052) 0.929 6.728 ( -0.923 0.090 0.052) 0.929 6.776 ( 0.559 -0.349 0.931) 1.141 6.776 ( 0.559 0.349 0.931) 1.141 6.810 ( 0.278 -0.602 -1.138) 1.318 6.810 ( 0.278 0.602 -1.138) 1.318 7.060 ( 0.903 -1.357 -0.337) 1.665 7.060 ( 0.903 1.357 -0.337) 1.665 7.071 ( 1.515 -1.453 0.484) 2.154 7.071 ( 1.515 1.453 0.484) 2.154 7.125 ( -1.278 -1.285 0.002) 1.812 7.125 ( -1.278 1.285 0.002) 1.812 7.157 ( -0.954 -1.543 0.021) 1.815 7.157 ( -0.954 1.543 0.021) 1.815 7.168 ( -0.677 -0.815 0.394) 1.130 7.168 ( -0.677 0.815 0.394) 1.130 7.209 ( -0.703 -0.823 -0.145) 1.092 7.209 ( -0.703 0.823 -0.145) 1.092 7.364 ( 0.463 -1.238 0.671) 1.483 7.364 ( 0.463 1.238 0.671) 1.483 7.379 ( 1.548 -1.759 -0.723) 2.452 7.379 ( 1.548 1.759 -0.723) 2.452 7.477 ( -0.336 -0.514 0.613) 0.868 7.477 ( -0.336 0.514 0.613) 0.868 7.515 ( 0.499 -0.985 -0.901) 1.425 7.515 ( 0.499 0.985 -0.901) 1.425 7.677 ( -0.784 -0.588 0.720) 1.216 7.677 ( -0.784 0.588 0.720) 1.216 7.711 ( -0.897 -1.130 -0.909) 1.705 7.711 ( -0.897 1.130 -0.909) 1.705 ======================= Grid point 69 (34/35) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 31 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( 2.420 -0.606 -1.694) 3.015 1.279 ( 2.420 0.606 -1.694) 3.015 1.437 ( -1.916 -0.061 -0.142) 1.922 1.437 ( -1.916 0.061 -0.142) 1.922 1.459 ( -5.112 -5.300 2.310) 7.717 1.459 ( -5.112 5.300 2.310) 7.717 1.512 ( 2.004 -5.272 -0.622) 5.674 1.512 ( 2.004 5.272 -0.622) 5.674 1.573 ( 3.250 -1.751 -2.728) 4.590 1.573 ( 3.250 1.751 -2.728) 4.590 1.717 ( -1.393 -3.599 1.035) 3.995 1.717 ( -1.393 3.599 1.035) 3.995 1.827 ( 1.324 -3.767 1.806) 4.383 1.827 ( 1.324 3.767 1.806) 4.383 1.882 ( 1.232 -2.948 -1.412) 3.494 1.882 ( 1.232 2.948 -1.412) 3.494 1.928 ( -0.415 -1.559 0.667) 1.746 1.928 ( -0.415 1.559 0.667) 1.746 2.025 ( -1.111 -1.331 -0.190) 1.744 2.025 ( -1.111 1.331 -0.190) 1.744 2.106 ( 0.403 -0.271 0.987) 1.100 2.106 ( 0.403 0.271 0.987) 1.100 2.213 ( -0.033 -1.398 0.245) 1.419 2.213 ( -0.033 1.398 0.245) 1.419 2.270 ( 1.400 -0.403 0.632) 1.588 2.270 ( 1.400 0.403 0.632) 1.588 2.296 ( -0.859 -1.347 -0.859) 1.814 2.296 ( -0.859 1.347 -0.859) 1.814 2.432 ( -1.329 -3.611 -0.507) 3.881 2.432 ( -1.329 3.611 -0.507) 3.881 2.484 ( -0.126 -4.308 1.354) 4.517 2.484 ( -0.126 4.308 1.354) 4.517 2.528 ( -1.652 -3.249 0.436) 3.670 2.528 ( -1.652 3.249 0.436) 3.670 2.560 ( -0.315 -0.912 0.811) 1.260 2.560 ( -0.315 0.912 0.811) 1.260 2.601 ( 3.209 -0.803 1.144) 3.500 2.601 ( 3.209 0.803 1.144) 3.500 2.684 ( 0.139 -3.367 -1.042) 3.527 2.684 ( 0.139 3.367 -1.042) 3.527 2.770 ( -0.596 -3.906 1.264) 4.149 2.770 ( -0.596 3.906 1.264) 4.149 2.816 ( -0.864 -2.650 -0.540) 2.839 2.816 ( -0.864 2.650 -0.540) 2.839 2.857 ( -0.169 -2.635 -0.346) 2.663 2.857 ( -0.169 2.635 -0.346) 2.663 2.960 ( -0.549 -1.670 -2.490) 3.048 2.960 ( -0.549 1.670 -2.490) 3.048 3.056 ( -2.339 -1.472 2.566) 3.771 3.056 ( -2.339 1.472 2.566) 3.771 3.138 ( 4.487 -0.470 -2.292) 5.060 3.138 ( 4.487 0.470 -2.292) 5.060 3.157 ( -1.265 -2.278 1.477) 2.995 3.157 ( -1.265 2.278 1.477) 2.995 3.202 ( 0.237 -2.507 -2.713) 3.702 3.202 ( 0.237 2.507 -2.713) 3.702 3.256 ( -0.355 -1.173 0.877) 1.507 3.256 ( -0.355 1.173 0.877) 1.507 3.316 ( -0.262 -2.291 -1.007) 2.516 3.316 ( -0.262 2.291 -1.007) 2.516 3.349 ( -1.434 -1.305 1.043) 2.201 3.349 ( -1.434 1.305 1.043) 2.201 3.417 ( 2.963 -2.027 -1.396) 3.852 3.417 ( 2.963 2.027 -1.396) 3.852 3.553 ( 1.078 -3.777 0.146) 3.931 3.553 ( 1.078 3.777 0.146) 3.931 3.593 ( -0.805 -2.322 0.220) 2.468 3.593 ( -0.805 2.322 0.220) 2.468 3.694 ( 1.050 -2.933 2.557) 4.031 3.694 ( 1.050 2.933 2.557) 4.031 3.769 ( -1.825 -3.225 -2.469) 4.453 3.769 ( -1.825 3.225 -2.469) 4.453 3.839 ( 0.674 -3.561 1.361) 3.871 3.839 ( 0.674 3.561 1.361) 3.871 3.884 ( -0.107 -5.911 -0.337) 5.922 3.884 ( -0.107 5.911 -0.337) 5.922 3.961 ( -1.431 -0.683 0.879) 1.813 3.961 ( -1.431 0.683 0.879) 1.813 4.079 ( 1.381 -2.168 -0.320) 2.590 4.079 ( 1.381 2.168 -0.320) 2.590 4.124 ( -1.128 -2.103 -4.057) 4.707 4.124 ( -1.128 2.103 -4.057) 4.707 4.207 ( -0.251 -3.752 2.215) 4.364 4.207 ( -0.251 3.752 2.215) 4.364 4.267 ( -1.010 -3.082 -2.033) 3.828 4.267 ( -1.010 3.082 -2.033) 3.828 4.430 ( 1.088 -0.703 -4.008) 4.212 4.430 ( 1.088 0.703 -4.008) 4.212 4.584 ( -0.296 -0.771 -0.249) 0.862 4.584 ( -0.296 0.771 -0.249) 0.862 4.714 ( 0.009 -1.047 1.138) 1.547 4.714 ( 0.009 1.047 1.138) 1.547 4.794 ( 1.881 -0.894 1.438) 2.531 4.794 ( 1.881 0.894 1.438) 2.531 4.850 ( -0.902 -0.426 -0.785) 1.269 4.850 ( -0.902 0.426 -0.785) 1.269 4.921 ( -0.507 -0.946 4.346) 4.476 4.921 ( -0.507 0.946 4.346) 4.476 5.021 ( 2.755 -1.911 1.656) 3.740 5.021 ( 2.755 1.911 1.656) 3.740 5.112 ( -1.740 -1.270 3.620) 4.212 5.112 ( -1.740 1.270 3.620) 4.212 5.215 ( -0.618 -1.724 1.295) 2.243 5.215 ( -0.618 1.724 1.295) 2.243 5.245 ( -1.302 -0.722 -0.814) 1.697 5.245 ( -1.302 0.722 -0.814) 1.697 5.427 ( -1.214 -0.103 0.145) 1.227 5.427 ( -1.214 0.103 0.145) 1.227 5.455 ( 4.651 -0.701 -1.381) 4.903 5.455 ( 4.651 0.701 -1.381) 4.903 5.510 ( -1.363 -0.663 -1.656) 2.245 5.510 ( -1.363 0.663 -1.656) 2.245 5.605 ( 0.130 -0.387 -0.094) 0.419 5.605 ( 0.130 0.387 -0.094) 0.419 5.633 ( -1.098 -0.318 -2.028) 2.328 5.633 ( -1.098 0.318 -2.028) 2.328 5.831 ( -0.652 -1.421 -0.386) 1.611 5.831 ( -0.652 1.421 -0.386) 1.611 5.932 ( 0.430 -0.744 0.306) 0.912 5.932 ( 0.430 0.744 0.306) 0.912 5.964 ( 0.685 -0.440 -0.495) 0.952 5.964 ( 0.685 0.440 -0.495) 0.952 6.046 ( -0.361 -0.713 0.785) 1.120 6.046 ( -0.361 0.713 0.785) 1.120 6.237 ( 0.236 -0.107 0.124) 0.287 6.237 ( 0.236 0.107 0.124) 0.287 6.281 ( -0.271 -0.256 -0.099) 0.386 6.281 ( -0.271 0.256 -0.099) 0.386 6.383 ( -0.426 -0.620 1.359) 1.553 6.383 ( -0.426 0.620 1.359) 1.553 6.456 ( 0.387 -0.391 -1.118) 1.246 6.456 ( 0.387 0.391 -1.118) 1.246 6.536 ( 0.024 -0.430 -0.490) 0.652 6.536 ( 0.024 0.430 -0.490) 0.652 6.584 ( 0.128 -0.321 0.522) 0.626 6.584 ( 0.128 0.321 0.522) 0.626 6.691 ( -0.212 -0.443 -0.105) 0.502 6.691 ( -0.212 0.443 -0.105) 0.502 6.718 ( 0.189 -0.274 0.079) 0.342 6.718 ( 0.189 0.274 0.079) 0.342 6.775 ( -0.576 -0.439 1.196) 1.399 6.775 ( -0.576 0.439 1.196) 1.399 6.819 ( 0.505 -0.941 -1.257) 1.649 6.819 ( 0.505 0.941 -1.257) 1.649 7.071 ( -0.754 -1.129 0.309) 1.392 7.071 ( -0.754 1.129 0.309) 1.392 7.085 ( 0.387 -1.126 -0.539) 1.307 7.085 ( 0.387 1.126 -0.539) 1.307 7.116 ( 0.434 -1.685 0.511) 1.814 7.116 ( 0.434 1.685 0.511) 1.814 7.143 ( 0.203 -1.319 -0.129) 1.341 7.143 ( 0.203 1.319 -0.129) 1.341 7.166 ( 0.037 -0.452 0.073) 0.459 7.166 ( 0.037 0.452 0.073) 0.459 7.195 ( -0.390 -0.507 0.231) 0.680 7.195 ( -0.390 0.507 0.231) 0.680 7.369 ( -0.171 -0.726 0.867) 1.143 7.369 ( -0.171 0.726 0.867) 1.143 7.398 ( 0.249 -0.740 -1.287) 1.505 7.398 ( 0.249 0.740 -1.287) 1.505 7.472 ( -0.086 -0.250 0.640) 0.692 7.472 ( -0.086 0.250 0.640) 0.692 7.522 ( 0.003 -0.354 -0.640) 0.731 7.522 ( 0.003 0.354 -0.640) 0.731 7.669 ( 0.237 -0.691 0.954) 1.201 7.669 ( 0.237 0.691 0.954) 1.201 7.697 ( -0.195 -0.776 -1.147) 1.399 7.697 ( -0.195 0.776 -1.147) 1.399 ======================= Grid point 73 (35/35) ======================= q-point: (-0.25 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( -1.465 -2.940 -1.376) 3.561 1.299 ( -1.465 2.940 -1.376) 3.561 1.341 ( -3.566 -3.128 1.670) 5.029 1.341 ( -3.566 3.128 1.670) 5.029 1.402 ( -2.115 -3.767 1.426) 4.549 1.402 ( -2.115 3.767 1.426) 4.549 1.585 ( 3.372 -3.439 0.030) 4.817 1.585 ( 3.372 3.439 0.030) 4.817 1.612 ( 0.005 -5.555 -2.929) 6.280 1.612 ( 0.005 5.555 -2.929) 6.280 1.701 ( 2.057 -4.381 0.418) 4.858 1.701 ( 2.057 4.381 0.418) 4.858 1.816 ( -1.331 -2.368 -0.535) 2.769 1.816 ( -1.331 2.368 -0.535) 2.769 1.886 ( -3.191 -2.345 1.007) 4.085 1.886 ( -3.191 2.345 1.007) 4.085 1.919 ( 0.949 -0.778 0.298) 1.263 1.919 ( 0.949 0.778 0.298) 1.263 2.044 ( 1.768 -1.917 0.230) 2.617 2.044 ( 1.768 1.917 0.230) 2.617 2.117 ( 0.790 -3.517 -0.233) 3.612 2.117 ( 0.790 3.517 -0.233) 3.612 2.168 ( -3.510 -2.646 0.780) 4.464 2.168 ( -3.510 2.646 0.780) 4.464 2.228 ( -2.851 -2.953 -2.240) 4.676 2.228 ( -2.851 2.953 -2.240) 4.676 2.291 ( -1.188 -1.151 -0.147) 1.661 2.291 ( -1.188 1.151 -0.147) 1.661 2.420 ( 0.390 -0.794 1.717) 1.931 2.420 ( 0.390 0.794 1.717) 1.931 2.468 ( -0.900 -2.507 1.032) 2.856 2.468 ( -0.900 2.507 1.032) 2.856 2.506 ( -0.537 -4.813 0.459) 4.865 2.506 ( -0.537 4.813 0.459) 4.865 2.549 ( -1.130 -1.210 -0.001) 1.655 2.549 ( -1.130 1.210 -0.001) 1.655 2.643 ( 1.050 -1.510 1.090) 2.138 2.643 ( 1.050 1.510 1.090) 2.138 2.710 ( 0.477 -0.943 -1.259) 1.643 2.710 ( 0.477 0.943 -1.259) 1.643 2.761 ( 0.925 -3.301 0.159) 3.432 2.761 ( 0.925 3.301 0.159) 3.432 2.830 ( 2.092 -2.320 2.488) 3.994 2.830 ( 2.092 2.320 2.488) 3.994 2.906 ( 3.659 -0.300 -2.028) 4.194 2.906 ( 3.659 0.300 -2.028) 4.194 2.961 ( -0.257 -0.558 -1.429) 1.556 2.961 ( -0.257 0.558 -1.429) 1.556 3.007 ( -0.967 -2.387 1.239) 2.858 3.007 ( -0.967 2.387 1.239) 2.858 3.114 ( -2.994 -2.910 -2.830) 5.044 3.114 ( -2.994 2.910 -2.830) 5.044 3.163 ( -0.545 -0.067 0.287) 0.620 3.163 ( -0.545 0.067 0.287) 0.620 3.221 ( 2.787 -3.663 1.243) 4.767 3.221 ( 2.787 3.663 1.243) 4.767 3.278 ( 0.860 -0.168 1.516) 1.751 3.278 ( 0.860 0.168 1.516) 1.751 3.310 ( -0.018 -4.157 0.347) 4.172 3.310 ( -0.018 4.157 0.347) 4.172 3.380 ( 2.624 -0.448 -2.240) 3.479 3.380 ( 2.624 0.448 -2.240) 3.479 3.509 ( 0.663 -0.713 -2.650) 2.823 3.509 ( 0.663 0.713 -2.650) 2.823 3.540 ( 1.610 -1.387 -1.957) 2.888 3.540 ( 1.610 1.387 -1.957) 2.888 3.583 ( 0.762 -2.320 1.064) 2.663 3.583 ( 0.762 2.320 1.064) 2.663 3.691 ( -1.842 -0.842 1.328) 2.422 3.691 ( -1.842 0.842 1.328) 2.422 3.760 ( 0.710 -0.683 -0.267) 1.021 3.760 ( 0.710 0.683 -0.267) 1.021 3.839 ( -1.257 -0.982 1.200) 1.996 3.839 ( -1.257 0.982 1.200) 1.996 3.887 ( 0.478 -3.909 2.727) 4.790 3.887 ( 0.478 3.909 2.727) 4.790 3.981 ( 3.822 -2.486 -0.277) 4.568 3.981 ( 3.822 2.486 -0.277) 4.568 4.101 ( -0.250 -3.732 -2.444) 4.468 4.101 ( -0.250 3.732 -2.444) 4.468 4.124 ( 2.125 -2.742 2.865) 4.500 4.124 ( 2.125 2.742 2.865) 4.500 4.230 ( 2.245 -2.056 -0.572) 3.098 4.230 ( 2.245 2.056 -0.572) 3.098 4.287 ( 3.197 -3.276 -0.866) 4.658 4.287 ( 3.197 3.276 -0.866) 4.658 4.456 ( 1.600 -0.619 -5.230) 5.504 4.456 ( 1.600 0.619 -5.230) 5.504 4.511 ( -5.667 -0.342 0.253) 5.683 4.511 ( -5.667 0.342 0.253) 5.683 4.692 ( -4.591 -0.871 -1.728) 4.982 4.692 ( -4.591 0.871 -1.728) 4.982 4.767 ( 0.198 -0.345 1.534) 1.585 4.767 ( 0.198 0.345 1.534) 1.585 4.865 ( -2.470 -1.023 2.356) 3.563 4.865 ( -2.470 1.023 2.356) 3.563 4.909 ( -0.084 -1.449 -0.548) 1.551 4.909 ( -0.084 1.449 -0.548) 1.551 5.029 ( -3.733 -3.439 0.471) 5.097 5.029 ( -3.733 3.439 0.471) 5.097 5.094 ( 3.560 -1.316 2.645) 4.626 5.094 ( 3.560 1.316 2.645) 4.626 5.186 ( -0.927 -1.360 1.231) 2.055 5.186 ( -0.927 1.360 1.231) 2.055 5.260 ( 1.132 -0.591 0.741) 1.477 5.260 ( 1.132 0.591 0.741) 1.477 5.374 ( -3.321 -2.768 0.909) 4.418 5.374 ( -3.321 2.768 0.909) 4.418 5.446 ( -3.495 -1.202 -0.647) 3.752 5.446 ( -3.495 1.202 -0.647) 3.752 5.534 ( 1.269 -1.680 0.313) 2.129 5.534 ( 1.269 1.680 0.313) 2.129 5.612 ( 1.337 -0.578 -1.453) 2.057 5.612 ( 1.337 0.578 -1.453) 2.057 5.632 ( 0.433 -1.643 -0.644) 1.817 5.632 ( 0.433 1.643 -0.644) 1.817 5.822 ( 0.042 -1.659 0.364) 1.699 5.822 ( 0.042 1.659 0.364) 1.699 5.931 ( -0.531 -1.118 -0.827) 1.489 5.931 ( -0.531 1.118 -0.827) 1.489 6.000 ( 2.124 -0.981 -0.667) 2.433 6.000 ( 2.124 0.981 -0.667) 2.433 6.070 ( 2.359 -1.272 0.753) 2.783 6.070 ( 2.359 1.272 0.753) 2.783 6.236 ( -0.380 -0.421 0.170) 0.593 6.236 ( -0.380 0.421 0.170) 0.593 6.257 ( -1.606 -0.938 -0.230) 1.874 6.257 ( -1.606 0.938 -0.230) 1.874 6.386 ( 0.541 -0.284 1.443) 1.567 6.386 ( 0.541 0.284 1.443) 1.567 6.469 ( 0.649 -0.225 -1.537) 1.684 6.469 ( 0.649 0.225 -1.537) 1.684 6.532 ( -0.355 -0.653 -0.153) 0.759 6.532 ( -0.355 0.653 -0.153) 0.759 6.563 ( -1.885 -0.626 0.378) 2.022 6.563 ( -1.885 0.626 0.378) 2.022 6.699 ( 0.940 -0.461 0.024) 1.047 6.699 ( 0.940 0.461 0.024) 1.047 6.730 ( 0.758 -0.424 -0.066) 0.871 6.730 ( 0.758 0.424 -0.066) 0.871 6.762 ( -0.594 -0.095 1.040) 1.201 6.762 ( -0.594 0.095 1.040) 1.201 6.822 ( -0.221 -0.784 -1.197) 1.448 6.822 ( -0.221 0.784 -1.197) 1.448 7.045 ( -1.260 -2.130 0.510) 2.527 7.045 ( -1.260 2.130 0.510) 2.527 7.081 ( -0.957 -1.759 -0.088) 2.005 7.081 ( -0.957 1.759 -0.088) 2.005 7.130 ( 0.766 -0.776 -0.282) 1.126 7.130 ( 0.766 0.776 -0.282) 1.126 7.160 ( 0.779 -1.119 -0.063) 1.365 7.160 ( 0.779 1.119 -0.063) 1.365 7.176 ( 1.608 -0.481 0.026) 1.678 7.176 ( 1.608 0.481 0.026) 1.678 7.197 ( 0.201 -1.704 0.457) 1.776 7.197 ( 0.201 1.704 0.457) 1.776 7.357 ( -0.837 -1.976 0.528) 2.210 7.357 ( -0.837 1.976 0.528) 2.210 7.388 ( -1.205 -1.563 -0.645) 2.076 7.388 ( -1.205 1.563 -0.645) 2.076 7.475 ( 0.370 -0.234 0.649) 0.783 7.475 ( 0.370 0.234 0.649) 0.783 7.515 ( -0.486 -1.248 -0.875) 1.600 7.515 ( -0.486 1.248 -0.875) 1.600 7.681 ( 0.702 -1.309 0.702) 1.643 7.681 ( 0.702 1.309 0.702) 1.643 7.707 ( 0.963 -0.548 -0.932) 1.448 7.707 ( 0.963 0.548 -0.932) 1.448 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/16128 10.0 164.517 196.231 114.891 0.000 7.909 0.000 3/16128 20.0 24.396 31.556 17.451 0.000 0.912 0.000 3/16128 30.0 9.140 12.327 6.276 0.000 0.320 0.000 3/16128 40.0 5.032 6.918 3.353 0.000 0.168 0.000 3/16128 50.0 3.358 4.654 2.200 0.000 0.109 0.000 3/16128 60.0 2.499 3.472 1.622 0.000 0.080 0.000 3/16128 70.0 1.988 2.763 1.284 0.000 0.063 0.000 3/16128 80.0 1.654 2.295 1.065 0.000 0.052 0.000 3/16128 90.0 1.418 1.965 0.912 0.000 0.045 0.000 3/16128 100.0 1.243 1.721 0.799 0.000 0.040 0.000 3/16128 110.0 1.108 1.532 0.712 0.000 0.035 0.000 3/16128 120.0 1.001 1.382 0.643 0.000 0.032 0.000 3/16128 130.0 0.913 1.260 0.586 0.000 0.029 0.000 3/16128 140.0 0.840 1.158 0.540 0.000 0.027 0.000 3/16128 150.0 0.778 1.072 0.500 0.000 0.025 0.000 3/16128 160.0 0.725 0.998 0.466 0.000 0.023 0.000 3/16128 170.0 0.679 0.934 0.436 0.000 0.022 0.000 3/16128 180.0 0.639 0.878 0.410 0.000 0.021 0.000 3/16128 190.0 0.603 0.829 0.387 0.000 0.019 0.000 3/16128 200.0 0.571 0.785 0.367 0.000 0.018 0.000 3/16128 210.0 0.543 0.745 0.349 0.000 0.018 0.000 3/16128 220.0 0.517 0.710 0.332 0.000 0.017 0.000 3/16128 230.0 0.493 0.677 0.317 0.000 0.016 0.000 3/16128 240.0 0.472 0.648 0.303 0.000 0.015 0.000 3/16128 250.0 0.453 0.621 0.291 0.000 0.015 0.000 3/16128 260.0 0.435 0.596 0.279 0.000 0.014 0.000 3/16128 270.0 0.418 0.573 0.269 0.000 0.014 0.000 3/16128 280.0 0.403 0.552 0.259 0.000 0.013 0.000 3/16128 290.0 0.388 0.533 0.250 0.000 0.013 0.000 3/16128 300.0 0.375 0.514 0.241 0.000 0.012 0.000 3/16128 310.0 0.363 0.497 0.233 0.000 0.012 0.000 3/16128 320.0 0.351 0.481 0.226 0.000 0.011 0.000 3/16128 330.0 0.340 0.467 0.219 0.000 0.011 0.000 3/16128 340.0 0.330 0.453 0.212 0.000 0.011 0.000 3/16128 350.0 0.321 0.439 0.206 0.000 0.010 0.000 3/16128 360.0 0.312 0.427 0.200 0.000 0.010 0.000 3/16128 370.0 0.303 0.415 0.195 0.000 0.010 0.000 3/16128 380.0 0.295 0.404 0.190 0.000 0.010 0.000 3/16128 390.0 0.287 0.394 0.185 0.000 0.009 0.000 3/16128 400.0 0.280 0.384 0.180 0.000 0.009 0.000 3/16128 410.0 0.273 0.374 0.176 0.000 0.009 0.000 3/16128 420.0 0.266 0.365 0.171 0.000 0.009 0.000 3/16128 430.0 0.260 0.356 0.167 0.000 0.008 0.000 3/16128 440.0 0.254 0.348 0.163 0.000 0.008 0.000 3/16128 450.0 0.249 0.340 0.160 0.000 0.008 0.000 3/16128 460.0 0.243 0.333 0.156 0.000 0.008 0.000 3/16128 470.0 0.238 0.326 0.153 0.000 0.008 0.000 3/16128 480.0 0.233 0.319 0.150 0.000 0.008 0.000 3/16128 490.0 0.228 0.312 0.147 0.000 0.007 0.000 3/16128 500.0 0.223 0.306 0.144 0.000 0.007 0.000 3/16128 510.0 0.219 0.300 0.141 0.000 0.007 0.000 3/16128 520.0 0.215 0.294 0.138 0.000 0.007 0.000 3/16128 530.0 0.211 0.289 0.135 0.000 0.007 0.000 3/16128 540.0 0.207 0.283 0.133 0.000 0.007 0.000 3/16128 550.0 0.203 0.278 0.131 0.000 0.007 0.000 3/16128 560.0 0.199 0.273 0.128 0.000 0.006 0.000 3/16128 570.0 0.196 0.268 0.126 0.000 0.006 0.000 3/16128 580.0 0.192 0.264 0.124 0.000 0.006 0.000 3/16128 590.0 0.189 0.259 0.122 0.000 0.006 0.000 3/16128 600.0 0.186 0.255 0.120 0.000 0.006 0.000 3/16128 610.0 0.183 0.251 0.118 0.000 0.006 0.000 3/16128 620.0 0.180 0.246 0.116 0.000 0.006 0.000 3/16128 630.0 0.177 0.243 0.114 0.000 0.006 0.000 3/16128 640.0 0.174 0.239 0.112 0.000 0.006 0.000 3/16128 650.0 0.172 0.235 0.110 0.000 0.006 0.000 3/16128 660.0 0.169 0.231 0.109 0.000 0.005 0.000 3/16128 670.0 0.166 0.228 0.107 0.000 0.005 0.000 3/16128 680.0 0.164 0.225 0.105 0.000 0.005 0.000 3/16128 690.0 0.162 0.221 0.104 0.000 0.005 0.000 3/16128 700.0 0.159 0.218 0.102 0.000 0.005 0.000 3/16128 710.0 0.157 0.215 0.101 0.000 0.005 0.000 3/16128 720.0 0.155 0.212 0.100 0.000 0.005 0.000 3/16128 730.0 0.153 0.209 0.098 0.000 0.005 0.000 3/16128 740.0 0.151 0.206 0.097 0.000 0.005 0.000 3/16128 750.0 0.149 0.204 0.096 0.000 0.005 0.000 3/16128 760.0 0.147 0.201 0.094 0.000 0.005 0.000 3/16128 770.0 0.145 0.198 0.093 0.000 0.005 0.000 3/16128 780.0 0.143 0.196 0.092 0.000 0.005 0.000 3/16128 790.0 0.141 0.193 0.091 0.000 0.005 0.000 3/16128 800.0 0.139 0.191 0.090 0.000 0.005 0.000 3/16128 810.0 0.138 0.188 0.088 0.000 0.004 0.000 3/16128 820.0 0.136 0.186 0.087 0.000 0.004 0.000 3/16128 830.0 0.134 0.184 0.086 0.000 0.004 0.000 3/16128 840.0 0.133 0.182 0.085 0.000 0.004 0.000 3/16128 850.0 0.131 0.180 0.084 0.000 0.004 0.000 3/16128 860.0 0.130 0.177 0.083 0.000 0.004 0.000 3/16128 870.0 0.128 0.175 0.082 0.000 0.004 0.000 3/16128 880.0 0.127 0.173 0.081 0.000 0.004 0.000 3/16128 890.0 0.125 0.171 0.081 0.000 0.004 0.000 3/16128 900.0 0.124 0.170 0.080 0.000 0.004 0.000 3/16128 910.0 0.122 0.168 0.079 0.000 0.004 0.000 3/16128 920.0 0.121 0.166 0.078 0.000 0.004 0.000 3/16128 930.0 0.120 0.164 0.077 0.000 0.004 0.000 3/16128 940.0 0.119 0.162 0.076 0.000 0.004 0.000 3/16128 950.0 0.117 0.161 0.075 0.000 0.004 0.000 3/16128 960.0 0.116 0.159 0.075 0.000 0.004 0.000 3/16128 970.0 0.115 0.157 0.074 0.000 0.004 0.000 3/16128 980.0 0.114 0.156 0.073 0.000 0.004 0.000 3/16128 990.0 0.113 0.154 0.072 0.000 0.004 0.000 3/16128 1000.0 0.111 0.153 0.072 0.000 0.004 0.000 3/16128 Thermal conductivity related properties were written into "kappa-m483.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 01:35:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|