----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:45:33]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 4 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.740232400757172 0.000000000000000 0.000000000000000 b 0.000000000000000 10.846425900000000 0.000000000000000 c -6.090494371308234 0.000000000000000 15.768897699450417 Atomic positions (fractional): *1 Si 0.47485050952689 0.21498307148826 0.26656006752746 28.085 2 Si 0.52514949047311 0.71498307148826 0.23343993247254 28.085 3 Si 0.52514949047311 0.78501692851174 0.73343993247254 28.085 4 Si 0.47485050952689 0.28501692851174 0.76656006752746 28.085 *5 Si 0.75854666323577 0.38264904004776 0.56003997353957 28.085 6 Si 0.24145333676423 0.88264904004776 0.93996002646043 28.085 7 Si 0.24145333676423 0.61735095995224 0.43996002646043 28.085 8 Si 0.75854666323577 0.11735095995224 0.06003997353957 28.085 *9 Si 0.10357782881290 0.05442843676365 0.38292586930171 28.085 10 Si 0.89642217118710 0.55442843676365 0.11707413069829 28.085 11 Si 0.89642217118710 0.94557156323635 0.61707413069829 28.085 12 Si 0.10357782881290 0.44557156323635 0.88292586930171 28.085 *13 S 0.57000998213595 0.03911947878037 0.31210582293381 32.065 14 S 0.42999001786405 0.53911947878038 0.18789417706619 32.065 15 S 0.42999001786405 0.96088052121962 0.68789417706619 32.065 16 S 0.57000998213595 0.46088052121962 0.81210582293381 32.065 *17 S 0.68330753506982 0.56095558035472 0.52695544955449 32.065 18 S 0.31669246493018 0.06095558035472 0.97304455044551 32.065 19 S 0.31669246493018 0.43904441964528 0.47304455044551 32.065 20 S 0.68330753506982 0.93904441964528 0.02695544955449 32.065 *21 S 0.02144666880624 0.23417680224315 0.37310454178838 32.065 22 S 0.97855333119376 0.73417680224315 0.12689545821162 32.065 23 S 0.97855333119376 0.76582319775685 0.62689545821162 32.065 24 S 0.02144666880624 0.26582319775685 0.87310454178838 32.065 *25 S 0.68600608525471 0.97450934223207 0.52197366317024 32.065 26 S 0.31399391474529 0.47450934223207 0.97802633682976 32.065 27 S 0.31399391474529 0.02549065776793 0.47802633682976 32.065 28 S 0.68600608525471 0.52549065776793 0.02197366317024 32.065 *29 S 0.12012308384558 0.97749883995453 0.27019374769862 32.065 30 S 0.87987691615442 0.47749883995453 0.22980625230138 32.065 31 S 0.87987691615442 0.02250116004548 0.72980625230138 32.065 32 S 0.12012308384558 0.52250116004547 0.77019374769862 32.065 *33 S 0.94646985069399 0.93517099885340 0.40717556819926 32.065 34 S 0.05353014930601 0.43517099885339 0.09282443180074 32.065 35 S 0.05353014930601 0.06482900114661 0.59282443180074 32.065 36 S 0.94646985069399 0.56482900114660 0.90717556819926 32.065 *37 S 0.96345917654702 0.34506882762190 0.55296461839842 32.065 38 S 0.03654082345298 0.84506882762190 0.94703538160158 32.065 39 S 0.03654082345298 0.65493117237810 0.44703538160158 32.065 40 S 0.96345917654702 0.15493117237810 0.05296461839842 32.065 *41 S 0.59446842213787 0.25852916247842 0.48451133016625 32.065 42 S 0.40553157786213 0.75852916247842 0.01548866983375 32.065 43 S 0.40553157786213 0.74147083752158 0.51548866983375 32.065 44 S 0.59446842213787 0.24147083752158 0.98451133016625 32.065 *45 S 0.66081032970534 0.33708279198233 0.31357994073922 32.065 46 S 0.33918967029466 0.83708279198233 0.18642005926078 32.065 47 S 0.33918967029466 0.66291720801767 0.68642005926078 32.065 48 S 0.66081032970534 0.16291720801767 0.81357994073922 32.065 *49 S 0.61215562882916 0.71289495698883 0.36666938964351 32.065 50 S 0.38784437117083 0.21289495698883 0.13333061035649 32.065 51 S 0.38784437117083 0.28710504301117 0.63333061035649 32.065 52 S 0.61215562882916 0.78710504301117 0.86666938964351 32.065 *53 S 0.23660717057735 0.65314352775757 0.31439256842958 32.065 54 S 0.76339282942265 0.15314352775757 0.18560743157043 32.065 55 S 0.76339282942265 0.34685647224243 0.68560743157043 32.065 56 S 0.23660717057735 0.84685647224243 0.81439256842957 32.065 *57 S 0.31114313527435 0.27640087203189 0.31162862016063 32.065 58 S 0.68885686472565 0.77640087203189 0.18837137983937 32.065 59 S 0.68885686472565 0.72359912796811 0.68837137983937 32.065 60 S 0.31114313527435 0.22359912796811 0.81162862016063 32.065 *61 Dy 0.02948170256668 0.26277261329993 0.20987222384117 162.500 62 Dy 0.97051829743332 0.76277261329993 0.29012777615883 162.500 63 Dy 0.97051829743332 0.73722738670007 0.79012777615883 162.500 64 Dy 0.02948170256668 0.23722738670007 0.70987222384117 162.500 *65 Dy 0.39908741042908 0.87489965133062 0.36853934866065 162.500 66 Dy 0.60091258957092 0.37489965133062 0.13146065133935 162.500 67 Dy 0.60091258957092 0.12510034866938 0.63146065133935 162.500 68 Dy 0.39908741042908 0.62510034866938 0.86853934866065 162.500 *69 Dy 0.81595927571301 0.15155911049434 0.44081679579295 162.500 70 Dy 0.18404072428699 0.65155911049434 0.05918320420705 162.500 71 Dy 0.18404072428699 0.84844088950566 0.55918320420705 162.500 72 Dy 0.81595927571301 0.34844088950566 0.94081679579295 162.500 *73 Dy 0.48391966912616 0.48321374337606 0.37457054331148 162.500 74 Dy 0.51608033087384 0.98321374337606 0.12542945668852 162.500 75 Dy 0.51608033087384 0.51678625662394 0.62542945668852 162.500 76 Dy 0.48391966912616 0.01678625662394 0.87457054331148 162.500 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.740232400757172 0.000000000000000 0.000000000000000 b 0.000000000000000 10.846425900000000 0.000000000000000 c -6.090494371308234 0.000000000000000 15.768897699450417 Atomic positions (fractional): *1 Si 0.47485050952689 0.21498307148826 0.26656006752746 28.085 > 1 2 Si 0.52514949047311 0.71498307148826 0.23343993247254 28.085 > 2 3 Si 0.52514949047311 0.78501692851174 0.73343993247254 28.085 > 3 4 Si 0.47485050952689 0.28501692851174 0.76656006752746 28.085 > 4 *5 Si 0.75854666323577 0.38264904004776 0.56003997353957 28.085 > 5 6 Si 0.24145333676423 0.88264904004776 0.93996002646043 28.085 > 6 7 Si 0.24145333676423 0.61735095995224 0.43996002646043 28.085 > 7 8 Si 0.75854666323577 0.11735095995224 0.06003997353957 28.085 > 8 *9 Si 0.10357782881290 0.05442843676365 0.38292586930171 28.085 > 9 10 Si 0.89642217118710 0.55442843676365 0.11707413069829 28.085 > 10 11 Si 0.89642217118710 0.94557156323635 0.61707413069829 28.085 > 11 12 Si 0.10357782881290 0.44557156323635 0.88292586930171 28.085 > 12 *13 S 0.57000998213595 0.03911947878037 0.31210582293381 32.065 > 13 14 S 0.42999001786405 0.53911947878038 0.18789417706619 32.065 > 14 15 S 0.42999001786405 0.96088052121962 0.68789417706619 32.065 > 15 16 S 0.57000998213595 0.46088052121962 0.81210582293381 32.065 > 16 *17 S 0.68330753506982 0.56095558035472 0.52695544955449 32.065 > 17 18 S 0.31669246493018 0.06095558035472 0.97304455044551 32.065 > 18 19 S 0.31669246493018 0.43904441964528 0.47304455044551 32.065 > 19 20 S 0.68330753506982 0.93904441964528 0.02695544955449 32.065 > 20 *21 S 0.02144666880624 0.23417680224315 0.37310454178838 32.065 > 21 22 S 0.97855333119376 0.73417680224315 0.12689545821162 32.065 > 22 23 S 0.97855333119376 0.76582319775685 0.62689545821162 32.065 > 23 24 S 0.02144666880624 0.26582319775685 0.87310454178838 32.065 > 24 *25 S 0.68600608525471 0.97450934223207 0.52197366317024 32.065 > 25 26 S 0.31399391474529 0.47450934223207 0.97802633682976 32.065 > 26 27 S 0.31399391474529 0.02549065776793 0.47802633682976 32.065 > 27 28 S 0.68600608525471 0.52549065776793 0.02197366317024 32.065 > 28 *29 S 0.12012308384558 0.97749883995453 0.27019374769862 32.065 > 29 30 S 0.87987691615442 0.47749883995453 0.22980625230138 32.065 > 30 31 S 0.87987691615442 0.02250116004548 0.72980625230138 32.065 > 31 32 S 0.12012308384558 0.52250116004547 0.77019374769862 32.065 > 32 *33 S 0.94646985069399 0.93517099885340 0.40717556819926 32.065 > 33 34 S 0.05353014930601 0.43517099885339 0.09282443180074 32.065 > 34 35 S 0.05353014930601 0.06482900114661 0.59282443180074 32.065 > 35 36 S 0.94646985069399 0.56482900114660 0.90717556819926 32.065 > 36 *37 S 0.96345917654702 0.34506882762190 0.55296461839842 32.065 > 37 38 S 0.03654082345298 0.84506882762190 0.94703538160158 32.065 > 38 39 S 0.03654082345298 0.65493117237810 0.44703538160158 32.065 > 39 40 S 0.96345917654702 0.15493117237810 0.05296461839842 32.065 > 40 *41 S 0.59446842213787 0.25852916247842 0.48451133016625 32.065 > 41 42 S 0.40553157786213 0.75852916247842 0.01548866983375 32.065 > 42 43 S 0.40553157786213 0.74147083752158 0.51548866983375 32.065 > 43 44 S 0.59446842213787 0.24147083752158 0.98451133016625 32.065 > 44 *45 S 0.66081032970534 0.33708279198233 0.31357994073922 32.065 > 45 46 S 0.33918967029466 0.83708279198233 0.18642005926078 32.065 > 46 47 S 0.33918967029466 0.66291720801767 0.68642005926078 32.065 > 47 48 S 0.66081032970534 0.16291720801767 0.81357994073922 32.065 > 48 *49 S 0.61215562882916 0.71289495698883 0.36666938964351 32.065 > 49 50 S 0.38784437117083 0.21289495698883 0.13333061035649 32.065 > 50 51 S 0.38784437117083 0.28710504301117 0.63333061035649 32.065 > 51 52 S 0.61215562882916 0.78710504301117 0.86666938964351 32.065 > 52 *53 S 0.23660717057735 0.65314352775757 0.31439256842958 32.065 > 53 54 S 0.76339282942265 0.15314352775757 0.18560743157043 32.065 > 54 55 S 0.76339282942265 0.34685647224243 0.68560743157043 32.065 > 55 56 S 0.23660717057735 0.84685647224243 0.81439256842957 32.065 > 56 *57 S 0.31114313527435 0.27640087203189 0.31162862016063 32.065 > 57 58 S 0.68885686472565 0.77640087203189 0.18837137983937 32.065 > 58 59 S 0.68885686472565 0.72359912796811 0.68837137983937 32.065 > 59 60 S 0.31114313527435 0.22359912796811 0.81162862016063 32.065 > 60 *61 Dy 0.02948170256668 0.26277261329993 0.20987222384117 162.500 > 61 62 Dy 0.97051829743332 0.76277261329993 0.29012777615883 162.500 > 62 63 Dy 0.97051829743332 0.73722738670007 0.79012777615883 162.500 > 63 64 Dy 0.02948170256668 0.23722738670007 0.70987222384117 162.500 > 64 *65 Dy 0.39908741042908 0.87489965133062 0.36853934866065 162.500 > 65 66 Dy 0.60091258957092 0.37489965133062 0.13146065133935 162.500 > 66 67 Dy 0.60091258957092 0.12510034866938 0.63146065133935 162.500 > 67 68 Dy 0.39908741042908 0.62510034866938 0.86853934866065 162.500 > 68 *69 Dy 0.81595927571301 0.15155911049434 0.44081679579295 162.500 > 69 70 Dy 0.18404072428699 0.65155911049434 0.05918320420705 162.500 > 70 71 Dy 0.18404072428699 0.84844088950566 0.55918320420705 162.500 > 71 72 Dy 0.81595927571301 0.34844088950566 0.94081679579295 162.500 > 72 *73 Dy 0.48391966912616 0.48321374337606 0.37457054331148 162.500 > 73 74 Dy 0.51608033087384 0.98321374337606 0.12542945668852 162.500 > 74 75 Dy 0.51608033087384 0.51678625662394 0.62542945668852 162.500 > 75 76 Dy 0.48391966912616 0.01678625662394 0.87457054331148 162.500 > 76 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.740232400757172 0.000000000000000 0.000000000000000 b 0.000000000000000 10.846425900000000 0.000000000000000 c -6.090494371308234 0.000000000000000 15.768897699450417 Atomic positions (fractional): *1 Si 0.47485050952689 0.21498307148826 0.26656006752746 28.085 > 1 2 Si 0.52514949047311 0.71498307148826 0.23343993247254 28.085 > 2 3 Si 0.52514949047311 0.78501692851174 0.73343993247254 28.085 > 3 4 Si 0.47485050952689 0.28501692851174 0.76656006752746 28.085 > 4 *5 Si 0.75854666323577 0.38264904004776 0.56003997353957 28.085 > 5 6 Si 0.24145333676423 0.88264904004776 0.93996002646043 28.085 > 6 7 Si 0.24145333676423 0.61735095995224 0.43996002646043 28.085 > 7 8 Si 0.75854666323577 0.11735095995224 0.06003997353957 28.085 > 8 *9 Si 0.10357782881290 0.05442843676365 0.38292586930171 28.085 > 9 10 Si 0.89642217118710 0.55442843676365 0.11707413069829 28.085 > 10 11 Si 0.89642217118710 0.94557156323635 0.61707413069829 28.085 > 11 12 Si 0.10357782881290 0.44557156323635 0.88292586930171 28.085 > 12 *13 S 0.57000998213595 0.03911947878037 0.31210582293381 32.065 > 13 14 S 0.42999001786405 0.53911947878038 0.18789417706619 32.065 > 14 15 S 0.42999001786405 0.96088052121962 0.68789417706619 32.065 > 15 16 S 0.57000998213595 0.46088052121962 0.81210582293381 32.065 > 16 *17 S 0.68330753506982 0.56095558035472 0.52695544955449 32.065 > 17 18 S 0.31669246493018 0.06095558035472 0.97304455044551 32.065 > 18 19 S 0.31669246493018 0.43904441964528 0.47304455044551 32.065 > 19 20 S 0.68330753506982 0.93904441964528 0.02695544955449 32.065 > 20 *21 S 0.02144666880624 0.23417680224315 0.37310454178838 32.065 > 21 22 S 0.97855333119376 0.73417680224315 0.12689545821162 32.065 > 22 23 S 0.97855333119376 0.76582319775685 0.62689545821162 32.065 > 23 24 S 0.02144666880624 0.26582319775685 0.87310454178838 32.065 > 24 *25 S 0.68600608525471 0.97450934223207 0.52197366317024 32.065 > 25 26 S 0.31399391474529 0.47450934223207 0.97802633682976 32.065 > 26 27 S 0.31399391474529 0.02549065776793 0.47802633682976 32.065 > 27 28 S 0.68600608525471 0.52549065776793 0.02197366317024 32.065 > 28 *29 S 0.12012308384558 0.97749883995453 0.27019374769862 32.065 > 29 30 S 0.87987691615442 0.47749883995453 0.22980625230138 32.065 > 30 31 S 0.87987691615442 0.02250116004548 0.72980625230138 32.065 > 31 32 S 0.12012308384558 0.52250116004547 0.77019374769862 32.065 > 32 *33 S 0.94646985069399 0.93517099885340 0.40717556819926 32.065 > 33 34 S 0.05353014930601 0.43517099885339 0.09282443180074 32.065 > 34 35 S 0.05353014930601 0.06482900114661 0.59282443180074 32.065 > 35 36 S 0.94646985069399 0.56482900114660 0.90717556819926 32.065 > 36 *37 S 0.96345917654702 0.34506882762190 0.55296461839842 32.065 > 37 38 S 0.03654082345298 0.84506882762190 0.94703538160158 32.065 > 38 39 S 0.03654082345298 0.65493117237810 0.44703538160158 32.065 > 39 40 S 0.96345917654702 0.15493117237810 0.05296461839842 32.065 > 40 *41 S 0.59446842213787 0.25852916247842 0.48451133016625 32.065 > 41 42 S 0.40553157786213 0.75852916247842 0.01548866983375 32.065 > 42 43 S 0.40553157786213 0.74147083752158 0.51548866983375 32.065 > 43 44 S 0.59446842213787 0.24147083752158 0.98451133016625 32.065 > 44 *45 S 0.66081032970534 0.33708279198233 0.31357994073922 32.065 > 45 46 S 0.33918967029466 0.83708279198233 0.18642005926078 32.065 > 46 47 S 0.33918967029466 0.66291720801767 0.68642005926078 32.065 > 47 48 S 0.66081032970534 0.16291720801767 0.81357994073922 32.065 > 48 *49 S 0.61215562882916 0.71289495698883 0.36666938964351 32.065 > 49 50 S 0.38784437117083 0.21289495698883 0.13333061035649 32.065 > 50 51 S 0.38784437117083 0.28710504301117 0.63333061035649 32.065 > 51 52 S 0.61215562882916 0.78710504301117 0.86666938964351 32.065 > 52 *53 S 0.23660717057735 0.65314352775757 0.31439256842958 32.065 > 53 54 S 0.76339282942265 0.15314352775757 0.18560743157043 32.065 > 54 55 S 0.76339282942265 0.34685647224243 0.68560743157043 32.065 > 55 56 S 0.23660717057735 0.84685647224243 0.81439256842957 32.065 > 56 *57 S 0.31114313527435 0.27640087203189 0.31162862016063 32.065 > 57 58 S 0.68885686472565 0.77640087203189 0.18837137983937 32.065 > 58 59 S 0.68885686472565 0.72359912796811 0.68837137983937 32.065 > 59 60 S 0.31114313527435 0.22359912796811 0.81162862016063 32.065 > 60 *61 Dy 0.02948170256668 0.26277261329993 0.20987222384117 162.500 > 61 62 Dy 0.97051829743332 0.76277261329993 0.29012777615883 162.500 > 62 63 Dy 0.97051829743332 0.73722738670007 0.79012777615883 162.500 > 63 64 Dy 0.02948170256668 0.23722738670007 0.70987222384117 162.500 > 64 *65 Dy 0.39908741042908 0.87489965133062 0.36853934866065 162.500 > 65 66 Dy 0.60091258957092 0.37489965133062 0.13146065133935 162.500 > 66 67 Dy 0.60091258957092 0.12510034866938 0.63146065133935 162.500 > 67 68 Dy 0.39908741042908 0.62510034866938 0.86853934866065 162.500 > 68 *69 Dy 0.81595927571301 0.15155911049434 0.44081679579295 162.500 > 69 70 Dy 0.18404072428699 0.65155911049434 0.05918320420705 162.500 > 70 71 Dy 0.18404072428699 0.84844088950566 0.55918320420705 162.500 > 71 72 Dy 0.81595927571301 0.34844088950566 0.94081679579295 162.500 > 72 *73 Dy 0.48391966912616 0.48321374337606 0.37457054331148 162.500 > 73 74 Dy 0.51608033087384 0.98321374337606 0.12542945668852 162.500 > 74 75 Dy 0.51608033087384 0.51678625662394 0.62542945668852 162.500 > 75 76 Dy 0.48391966912616 0.01678625662394 0.87457054331148 162.500 > 76 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.1329419 0.0000000 -0.1628665 0.0000000 6.0604590 0.0000000 -0.1628624 0.0000000 6.3349741 -------------------------- Born effective charges -------------------------- 1 Si 2.6022385 -0.4566681 -0.7558107 -0.5847602 2.4963760 -0.0764194 -0.0093773 -0.2513127 2.6549993 2 Si 2.6022385 0.4566681 -0.7558107 0.5847602 2.4963760 0.0764194 -0.0093773 0.2513127 2.6549993 3 Si 2.6022385 -0.4566681 -0.7558107 -0.5847602 2.4963760 -0.0764194 -0.0093773 -0.2513127 2.6549993 4 Si 2.6022385 0.4566681 -0.7558107 0.5847602 2.4963760 0.0764194 -0.0093773 0.2513127 2.6549993 5 Si 2.2659847 -0.7266740 0.1044669 -0.6528156 2.6316411 -0.1261203 0.2869014 -0.1511319 2.1661486 6 Si 2.2659847 0.7266740 0.1044669 0.6528156 2.6316411 0.1261203 0.2869014 0.1511319 2.1661486 7 Si 2.2659847 -0.7266740 0.1044669 -0.6528156 2.6316411 -0.1261203 0.2869014 -0.1511319 2.1661486 8 Si 2.2659847 0.7266740 0.1044669 0.6528156 2.6316411 0.1261203 0.2869014 0.1511319 2.1661486 9 Si 2.6946066 -0.5079203 0.2258955 -0.5024243 2.4714743 -0.0175942 0.4511094 -0.7746874 2.2656889 10 Si 2.6946066 0.5079203 0.2258955 0.5024243 2.4714743 0.0175942 0.4511094 0.7746874 2.2656889 11 Si 2.6946066 -0.5079203 0.2258955 -0.5024243 2.4714743 -0.0175942 0.4511094 -0.7746874 2.2656889 12 Si 2.6946066 0.5079203 0.2258955 0.5024243 2.4714743 0.0175942 0.4511094 0.7746874 2.2656889 13 S -1.4002996 -0.2251680 0.0803914 -0.2853569 -2.3110178 0.1651328 0.0147145 0.2340372 -2.0760538 14 S -1.4002996 0.2251680 0.0803914 0.2853569 -2.3110178 -0.1651328 0.0147145 -0.2340372 -2.0760538 15 S -1.4002996 -0.2251680 0.0803914 -0.2853569 -2.3110178 0.1651328 0.0147145 0.2340372 -2.0760538 16 S -1.4002996 0.2251680 0.0803914 0.2853569 -2.3110178 -0.1651328 0.0147145 -0.2340372 -2.0760538 17 S -1.1545435 0.5042385 -0.0599456 0.5771089 -1.6901351 0.1672036 -0.0107785 0.2670960 -1.7934270 18 S -1.1545435 -0.5042385 -0.0599456 -0.5771089 -1.6901351 -0.1672036 -0.0107785 -0.2670960 -1.7934270 19 S -1.1545435 0.5042385 -0.0599456 0.5771089 -1.6901351 0.1672036 -0.0107785 0.2670960 -1.7934270 20 S -1.1545435 -0.5042385 -0.0599456 -0.5771089 -1.6901351 -0.1672036 -0.0107785 -0.2670960 -1.7934270 21 S -2.0694783 0.3508107 0.6359637 0.2429965 -1.7962806 0.5496100 0.5909468 0.7795094 -1.8821580 22 S -2.0694783 -0.3508107 0.6359637 -0.2429965 -1.7962806 -0.5496100 0.5909468 -0.7795094 -1.8821580 23 S -2.0694783 0.3508107 0.6359637 0.2429965 -1.7962806 0.5496100 0.5909468 0.7795094 -1.8821580 24 S -2.0694783 -0.3508107 0.6359637 -0.2429965 -1.7962806 -0.5496100 0.5909468 -0.7795094 -1.8821580 25 S -2.2981231 0.1246425 -0.4053281 0.1441777 -1.2935931 -0.1344613 -0.5012571 0.1799834 -2.1415294 26 S -2.2981231 -0.1246425 -0.4053281 -0.1441777 -1.2935931 0.1344613 -0.5012571 -0.1799834 -2.1415294 27 S -2.2981231 0.1246425 -0.4053281 0.1441777 -1.2935931 -0.1344613 -0.5012571 0.1799834 -2.1415294 28 S -2.2981231 -0.1246425 -0.4053281 -0.1441777 -1.2935931 0.1344613 -0.5012571 -0.1799834 -2.1415294 29 S -1.6068757 0.2612073 -0.0484866 0.2070362 -2.1761853 0.0962674 0.0396738 0.0824620 -1.5520317 30 S -1.6068757 -0.2612073 -0.0484866 -0.2070362 -2.1761853 -0.0962674 0.0396738 -0.0824620 -1.5520317 31 S -1.6068757 0.2612073 -0.0484866 0.2070362 -2.1761853 0.0962674 0.0396738 0.0824620 -1.5520317 32 S -1.6068757 -0.2612073 -0.0484866 -0.2070362 -2.1761853 -0.0962674 0.0396738 -0.0824620 -1.5520317 33 S -1.9152306 0.3800447 0.3837701 0.3461596 -1.9119124 -0.2794922 0.2656141 -0.1176261 -1.6928568 34 S -1.9152306 -0.3800447 0.3837701 -0.3461596 -1.9119124 0.2794922 0.2656141 0.1176261 -1.6928568 35 S -1.9152306 0.3800447 0.3837701 0.3461596 -1.9119124 -0.2794922 0.2656141 -0.1176261 -1.6928568 36 S -1.9152306 -0.3800447 0.3837701 -0.3461596 -1.9119124 0.2794922 0.2656141 0.1176261 -1.6928568 37 S -1.6636885 0.5331718 -0.1311009 0.4608912 -1.2384233 -0.2107489 -0.2389259 -0.1771974 -1.8917944 38 S -1.6636885 -0.5331718 -0.1311009 -0.4608912 -1.2384233 0.2107489 -0.2389259 0.1771974 -1.8917944 39 S -1.6636885 0.5331718 -0.1311009 0.4608912 -1.2384233 -0.2107489 -0.2389259 -0.1771974 -1.8917944 40 S -1.6636885 -0.5331718 -0.1311009 -0.4608912 -1.2384233 0.2107489 -0.2389259 0.1771974 -1.8917944 41 S -1.4835372 0.1191037 0.1878286 0.1427279 -1.9606450 0.1245439 0.2589612 0.0474705 -2.0428440 42 S -1.4835372 -0.1191037 0.1878286 -0.1427279 -1.9606450 -0.1245439 0.2589612 -0.0474705 -2.0428440 43 S -1.4835372 0.1191037 0.1878286 0.1427279 -1.9606450 0.1245439 0.2589612 0.0474705 -2.0428440 44 S -1.4835372 -0.1191037 0.1878286 -0.1427279 -1.9606450 -0.1245439 0.2589612 -0.0474705 -2.0428440 45 S -1.7061115 0.1245866 0.1775021 0.1094786 -1.8530820 -0.0144706 0.0740953 -0.0118380 -2.2473328 46 S -1.7061115 -0.1245866 0.1775021 -0.1094786 -1.8530820 0.0144706 0.0740953 0.0118380 -2.2473328 47 S -1.7061115 0.1245866 0.1775021 0.1094786 -1.8530820 -0.0144706 0.0740953 -0.0118380 -2.2473328 48 S -1.7061115 -0.1245866 0.1775021 -0.1094786 -1.8530820 0.0144706 0.0740953 0.0118380 -2.2473328 49 S -1.5750612 0.0977326 0.4822551 0.0651261 -1.9250668 -0.0239790 0.4174394 -0.1658925 -1.7439392 50 S -1.5750612 -0.0977326 0.4822551 -0.0651261 -1.9250668 0.0239790 0.4174394 0.1658925 -1.7439392 51 S -1.5750612 0.0977326 0.4822551 0.0651261 -1.9250668 -0.0239790 0.4174394 -0.1658925 -1.7439392 52 S -1.5750612 -0.0977326 0.4822551 -0.0651261 -1.9250668 0.0239790 0.4174394 0.1658925 -1.7439392 53 S -2.0748121 0.4818200 -0.0907870 0.4930891 -1.8212587 0.1709613 -0.0406617 0.4356026 -1.6570152 54 S -2.0748121 -0.4818200 -0.0907870 -0.4930891 -1.8212587 -0.1709613 -0.0406617 -0.4356026 -1.6570152 55 S -2.0748121 0.4818200 -0.0907870 0.4930891 -1.8212587 0.1709613 -0.0406617 0.4356026 -1.6570152 56 S -2.0748121 -0.4818200 -0.0907870 -0.4930891 -1.8212587 -0.1709613 -0.0406617 -0.4356026 -1.6570152 57 S -3.0245408 0.1117391 -0.4598354 0.1018817 -1.6070054 -0.3891186 -0.3720064 -0.3658609 -1.3662048 58 S -3.0245408 -0.1117391 -0.4598354 -0.1018817 -1.6070054 0.3891186 -0.3720064 0.3658609 -1.3662048 59 S -3.0245408 0.1117391 -0.4598354 0.1018817 -1.6070054 -0.3891186 -0.3720064 -0.3658609 -1.3662048 60 S -3.0245408 -0.1117391 -0.4598354 -0.1018817 -1.6070054 0.3891186 -0.3720064 0.3658609 -1.3662048 61 Dy 3.9216989 0.4052943 0.7823644 0.3527882 3.3627491 -1.0450357 0.5467585 -0.6008748 4.0486731 62 Dy 3.9216989 -0.4052943 0.7823644 -0.3527882 3.3627491 1.0450357 0.5467585 0.6008748 4.0486731 63 Dy 3.9216989 0.4052943 0.7823644 0.3527882 3.3627491 -1.0450357 0.5467585 -0.6008748 4.0486731 64 Dy 3.9216989 -0.4052943 0.7823644 -0.3527882 3.3627491 1.0450357 0.5467585 0.6008748 4.0486731 65 Dy 3.7468039 -0.0772866 -0.4832258 0.0433252 3.7439917 0.0985666 -0.8959292 0.1237261 3.2108123 66 Dy 3.7468039 0.0772866 -0.4832258 -0.0433252 3.7439917 -0.0985666 -0.8959292 -0.1237261 3.2108123 67 Dy 3.7468039 -0.0772866 -0.4832258 0.0433252 3.7439917 0.0985666 -0.8959292 0.1237261 3.2108123 68 Dy 3.7468039 0.0772866 -0.4832258 -0.0433252 3.7439917 -0.0985666 -0.8959292 -0.1237261 3.2108123 69 Dy 3.9360977 -0.6296809 -0.3868098 -0.7344530 2.8550833 0.1012392 -0.3010806 -0.0574872 3.9708475 70 Dy 3.9360977 0.6296809 -0.3868098 0.7344530 2.8550833 -0.1012392 -0.3010806 0.0574872 3.9708475 71 Dy 3.9360977 -0.6296809 -0.3868098 -0.7344530 2.8550833 0.1012392 -0.3010806 -0.0574872 3.9708475 72 Dy 3.9360977 0.6296809 -0.3868098 0.7344530 2.8550833 -0.1012392 -0.3010806 0.0574872 3.9708475 73 Dy 2.8048716 -0.3871909 -0.2391079 -0.5680497 4.0232898 -0.0508235 -0.5761978 0.0788367 3.7700172 74 Dy 2.8048716 0.3871909 -0.2391079 0.5680497 4.0232898 0.0508235 -0.5761978 -0.0788367 3.7700172 75 Dy 2.8048716 -0.3871909 -0.2391079 -0.5680497 4.0232898 -0.0508235 -0.5761978 0.0788367 3.7700172 76 Dy 2.8048716 0.3871909 -0.2391079 0.5680497 4.0232898 0.0508235 -0.5761978 -0.0788367 3.7700172 ---------------------------------------------------------------------------- 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: 228/228 Permutation basis: 25878/25878 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6612 Number of blocks in projector: 6612 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: 1444 Use submatrix version of eigh solver. (1) Block: 500 / 1444 (2) Block: 250 / 500 (2) 212 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 74 (2) Compute compressed projector. (2) Use standard solver. (2) 36 eigenvectors found. (1) 462 eigenvectors found. (1) Block: 1000 / 1444 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 60 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1444 / 1444 (1) 406 eigenvectors found. (1) Complementary block size: 108 (1) Compute compressed projector. (1) Use standard solver. (1) 70 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1444 Use submatrix version of eigh solver. (1) Block: 500 / 1444 (2) Block: 250 / 500 (2) 212 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 74 (2) Compute compressed projector. (2) Use standard solver. (2) 36 eigenvectors found. (1) 462 eigenvectors found. (1) Block: 1000 / 1444 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 60 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1444 / 1444 (1) 406 eigenvectors found. (1) Complementary block size: 108 (1) Compute compressed projector. (1) Use standard solver. (1) 70 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1444 Use submatrix version of eigh solver. (1) Block: 500 / 1444 (2) Block: 250 / 500 (2) 213 eigenvectors found. (2) Block: 500 / 500 (2) 215 eigenvectors found. (2) Complementary block size: 72 (2) Compute compressed projector. (2) Use standard solver. (2) 35 eigenvectors found. (1) 463 eigenvectors found. (1) Block: 1000 / 1444 (2) Block: 250 / 500 (2) 219 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 469 eigenvectors found. (1) Block: 1444 / 1444 (1) 423 eigenvectors found. (1) Complementary block size: 89 (1) Compute compressed projector. (1) Use standard solver. (1) 52 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 760 Use submatrix version of eigh solver. (1) Block: 500 / 760 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 760 / 760 (1) 241 eigenvectors found. (1) Complementary block size: 38 (1) Compute compressed projector. (1) Use standard solver. (1) 19 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 760 Use submatrix version of eigh solver. (1) Block: 500 / 760 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 760 / 760 (1) 241 eigenvectors found. (1) Complementary block size: 38 (1) Compute compressed projector. (1) Use standard solver. (1) 19 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 760 Use submatrix version of eigh solver. (1) Block: 500 / 760 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 760 / 760 (1) 241 eigenvectors found. (1) Complementary block size: 38 (1) Compute compressed projector. (1) Use standard solver. (1) 19 eigenvectors found. Tree of FC basis block matrices: - (6612, 6442), data: False |-- (760, 741), data: False |-- (760, 19), data: (760, 38) @ (38, 19) |-- (260, 241), data: True |-- (500, 481), data: False |-- (500, 16), data: (500, 35) @ (35, 16) |-- (250, 234), data: True |-- (250, 231), data: True |-- (760, 741), data: False |-- (760, 19), data: (760, 38) @ (38, 19) |-- (260, 241), data: True |-- (500, 481), data: False |-- (500, 16), data: (500, 35) @ (35, 16) |-- (250, 234), data: True |-- (250, 231), data: True |-- (760, 741), data: False |-- (760, 19), data: (760, 38) @ (38, 19) |-- (260, 241), data: True |-- (500, 481), data: False |-- (500, 16), data: (500, 35) @ (35, 16) |-- (250, 234), data: True |-- (250, 231), data: True |-- (1444, 1407), data: False |-- (1444, 52), data: (1444, 89) @ (89, 52) |-- (444, 423), data: True |-- (500, 469), data: False |-- (500, 27), data: (500, 58) @ (58, 27) |-- (250, 223), data: True |-- (250, 219), data: True |-- (500, 463), data: False |-- (500, 35), data: (500, 72) @ (72, 35) |-- (250, 215), data: True |-- (250, 213), data: True |-- (1444, 1406), data: False |-- (1444, 70), data: (1444, 108) @ (108, 70) |-- (444, 406), data: True |-- (500, 468), data: False |-- (500, 28), data: (500, 60) @ (60, 28) |-- (250, 222), data: True |-- (250, 218), data: True |-- (500, 462), data: False |-- (500, 36), data: (500, 74) @ (74, 36) |-- (250, 214), data: True |-- (250, 212), data: True |-- (1444, 1406), data: False |-- (1444, 70), data: (1444, 108) @ (108, 70) |-- (444, 406), data: True |-- (500, 468), data: False |-- (500, 28), data: (500, 60) @ (60, 28) |-- (250, 222), data: True |-- (250, 218), data: True |-- (500, 462), data: False |-- (500, 36), data: (500, 74) @ (74, 36) |-- (250, 214), data: True |-- (250, 212), data: True ----- Solver_atoms: 1 -- 76 / 76 Time (Solver_compr_matrix_reshape): 0.001 Solver_block: 100 / 2320 - Time: 1.223 Solver_block: 200 / 2320 - Time: 1.058 Solver_block: 300 / 2320 - Time: 1.059 Solver_block: 400 / 2320 - Time: 1.063 Solver_block: 500 / 2320 - Time: 1.058 Solver_block: 600 / 2320 - Time: 1.063 Solver_block: 700 / 2320 - Time: 1.060 Solver_block: 800 / 2320 - Time: 1.061 Solver_block: 900 / 2320 - Time: 1.059 Solver_block: 1000 / 2320 - Time: 1.056 Solver_block: 1100 / 2320 - Time: 1.062 Solver_block: 1200 / 2320 - Time: 1.059 Solver_block: 1300 / 2320 - Time: 1.062 Solver_block: 1400 / 2320 - Time: 1.060 Solver_block: 1500 / 2320 - Time: 1.059 Solver_block: 1600 / 2320 - Time: 1.061 Solver_block: 1700 / 2320 - Time: 1.062 Solver_block: 1800 / 2320 - Time: 1.059 Solver_block: 1900 / 2320 - Time: 1.061 Solver_block: 2000 / 2320 - Time: 1.062 Solver_block: 2100 / 2320 - Time: 1.061 Solver_block: 2200 / 2320 - Time: 1.062 Solver_block: 2300 / 2320 - Time: 1.058 Solver_block: 2320 / 2320 - Time: 0.326 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 25.584 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 228/228 Permutation basis: 25878/25878 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6612 Number of blocks in projector: 6612 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: 1444 Use submatrix version of eigh solver. (1) Block: 500 / 1444 (2) Block: 250 / 500 (2) 212 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 74 (2) Compute compressed projector. (2) Use standard solver. (2) 36 eigenvectors found. (1) 462 eigenvectors found. (1) Block: 1000 / 1444 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 60 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1444 / 1444 (1) 406 eigenvectors found. (1) Complementary block size: 108 (1) Compute compressed projector. (1) Use standard solver. (1) 70 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1444 Use submatrix version of eigh solver. (1) Block: 500 / 1444 (2) Block: 250 / 500 (2) 212 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 74 (2) Compute compressed projector. (2) Use standard solver. (2) 36 eigenvectors found. (1) 462 eigenvectors found. (1) Block: 1000 / 1444 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 60 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1444 / 1444 (1) 406 eigenvectors found. (1) Complementary block size: 108 (1) Compute compressed projector. (1) Use standard solver. (1) 70 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1444 Use submatrix version of eigh solver. (1) Block: 500 / 1444 (2) Block: 250 / 500 (2) 213 eigenvectors found. (2) Block: 500 / 500 (2) 215 eigenvectors found. (2) Complementary block size: 72 (2) Compute compressed projector. (2) Use standard solver. (2) 35 eigenvectors found. (1) 463 eigenvectors found. (1) Block: 1000 / 1444 (2) Block: 250 / 500 (2) 219 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 469 eigenvectors found. (1) Block: 1444 / 1444 (1) 423 eigenvectors found. (1) Complementary block size: 89 (1) Compute compressed projector. (1) Use standard solver. (1) 52 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 760 Use submatrix version of eigh solver. (1) Block: 500 / 760 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 760 / 760 (1) 241 eigenvectors found. (1) Complementary block size: 38 (1) Compute compressed projector. (1) Use standard solver. (1) 19 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 760 Use submatrix version of eigh solver. (1) Block: 500 / 760 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 760 / 760 (1) 241 eigenvectors found. (1) Complementary block size: 38 (1) Compute compressed projector. (1) Use standard solver. (1) 19 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 760 Use submatrix version of eigh solver. (1) Block: 500 / 760 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 760 / 760 (1) 241 eigenvectors found. (1) Complementary block size: 38 (1) Compute compressed projector. (1) Use standard solver. (1) 19 eigenvectors found. Tree of FC basis block matrices: - (6612, 6442), data: False |-- (760, 741), data: False |-- (760, 19), data: (760, 38) @ (38, 19) |-- (260, 241), data: True |-- (500, 481), data: False |-- (500, 16), data: (500, 35) @ (35, 16) |-- (250, 234), data: True |-- (250, 231), data: True |-- (760, 741), data: False |-- (760, 19), data: (760, 38) @ (38, 19) |-- (260, 241), data: True |-- (500, 481), data: False |-- (500, 16), data: (500, 35) @ (35, 16) |-- (250, 234), data: True |-- (250, 231), data: True |-- (760, 741), data: False |-- (760, 19), data: (760, 38) @ (38, 19) |-- (260, 241), data: True |-- (500, 481), data: False |-- (500, 16), data: (500, 35) @ (35, 16) |-- (250, 234), data: True |-- (250, 231), data: True |-- (1444, 1407), data: False |-- (1444, 52), data: (1444, 89) @ (89, 52) |-- (444, 423), data: True |-- (500, 469), data: False |-- (500, 27), data: (500, 58) @ (58, 27) |-- (250, 223), data: True |-- (250, 219), data: True |-- (500, 463), data: False |-- (500, 35), data: (500, 72) @ (72, 35) |-- (250, 215), data: True |-- (250, 213), data: True |-- (1444, 1406), data: False |-- (1444, 70), data: (1444, 108) @ (108, 70) |-- (444, 406), data: True |-- (500, 468), data: False |-- (500, 28), data: (500, 60) @ (60, 28) |-- (250, 222), data: True |-- (250, 218), data: True |-- (500, 462), data: False |-- (500, 36), data: (500, 74) @ (74, 36) |-- (250, 214), data: True |-- (250, 212), data: True |-- (1444, 1406), data: False |-- (1444, 70), data: (1444, 108) @ (108, 70) |-- (444, 406), data: True |-- (500, 468), data: False |-- (500, 28), data: (500, 60) @ (60, 28) |-- (250, 222), data: True |-- (250, 218), data: True |-- (500, 462), data: False |-- (500, 36), data: (500, 74) @ (74, 36) |-- (250, 214), data: True |-- (250, 212), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:46:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:46:53]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.740232400757172 0.000000000000000 0.000000000000000 b 0.000000000000000 10.846425900000000 0.000000000000000 c -6.090494371308234 0.000000000000000 15.768897699450417 Atomic positions (fractional): 1 Si 0.47485050952689 0.21498307148826 0.26656006752746 28.085 2 Si 0.52514949047311 0.71498307148826 0.23343993247254 28.085 3 Si 0.52514949047311 0.78501692851174 0.73343993247254 28.085 4 Si 0.47485050952689 0.28501692851174 0.76656006752746 28.085 5 Si 0.75854666323577 0.38264904004776 0.56003997353957 28.085 6 Si 0.24145333676423 0.88264904004776 0.93996002646043 28.085 7 Si 0.24145333676423 0.61735095995224 0.43996002646043 28.085 8 Si 0.75854666323577 0.11735095995224 0.06003997353957 28.085 9 Si 0.10357782881290 0.05442843676365 0.38292586930171 28.085 10 Si 0.89642217118710 0.55442843676365 0.11707413069829 28.085 11 Si 0.89642217118710 0.94557156323635 0.61707413069829 28.085 12 Si 0.10357782881290 0.44557156323635 0.88292586930171 28.085 13 S 0.57000998213595 0.03911947878037 0.31210582293381 32.065 14 S 0.42999001786405 0.53911947878038 0.18789417706619 32.065 15 S 0.42999001786405 0.96088052121962 0.68789417706619 32.065 16 S 0.57000998213595 0.46088052121962 0.81210582293381 32.065 17 S 0.68330753506982 0.56095558035472 0.52695544955449 32.065 18 S 0.31669246493018 0.06095558035472 0.97304455044551 32.065 19 S 0.31669246493018 0.43904441964528 0.47304455044551 32.065 20 S 0.68330753506982 0.93904441964528 0.02695544955449 32.065 21 S 0.02144666880624 0.23417680224315 0.37310454178838 32.065 22 S 0.97855333119376 0.73417680224315 0.12689545821162 32.065 23 S 0.97855333119376 0.76582319775685 0.62689545821162 32.065 24 S 0.02144666880624 0.26582319775685 0.87310454178838 32.065 25 S 0.68600608525471 0.97450934223207 0.52197366317024 32.065 26 S 0.31399391474529 0.47450934223207 0.97802633682976 32.065 27 S 0.31399391474529 0.02549065776793 0.47802633682976 32.065 28 S 0.68600608525471 0.52549065776793 0.02197366317024 32.065 29 S 0.12012308384558 0.97749883995453 0.27019374769862 32.065 30 S 0.87987691615442 0.47749883995453 0.22980625230138 32.065 31 S 0.87987691615442 0.02250116004548 0.72980625230138 32.065 32 S 0.12012308384558 0.52250116004547 0.77019374769862 32.065 33 S 0.94646985069399 0.93517099885340 0.40717556819926 32.065 34 S 0.05353014930601 0.43517099885339 0.09282443180074 32.065 35 S 0.05353014930601 0.06482900114661 0.59282443180074 32.065 36 S 0.94646985069399 0.56482900114660 0.90717556819926 32.065 37 S 0.96345917654702 0.34506882762190 0.55296461839842 32.065 38 S 0.03654082345298 0.84506882762190 0.94703538160158 32.065 39 S 0.03654082345298 0.65493117237810 0.44703538160158 32.065 40 S 0.96345917654702 0.15493117237810 0.05296461839842 32.065 41 S 0.59446842213787 0.25852916247842 0.48451133016625 32.065 42 S 0.40553157786213 0.75852916247842 0.01548866983375 32.065 43 S 0.40553157786213 0.74147083752158 0.51548866983375 32.065 44 S 0.59446842213787 0.24147083752158 0.98451133016625 32.065 45 S 0.66081032970534 0.33708279198233 0.31357994073922 32.065 46 S 0.33918967029466 0.83708279198233 0.18642005926078 32.065 47 S 0.33918967029466 0.66291720801767 0.68642005926078 32.065 48 S 0.66081032970534 0.16291720801767 0.81357994073922 32.065 49 S 0.61215562882916 0.71289495698883 0.36666938964351 32.065 50 S 0.38784437117083 0.21289495698883 0.13333061035649 32.065 51 S 0.38784437117083 0.28710504301117 0.63333061035649 32.065 52 S 0.61215562882916 0.78710504301117 0.86666938964351 32.065 53 S 0.23660717057735 0.65314352775757 0.31439256842958 32.065 54 S 0.76339282942265 0.15314352775757 0.18560743157043 32.065 55 S 0.76339282942265 0.34685647224243 0.68560743157043 32.065 56 S 0.23660717057735 0.84685647224243 0.81439256842957 32.065 57 S 0.31114313527435 0.27640087203189 0.31162862016063 32.065 58 S 0.68885686472565 0.77640087203189 0.18837137983937 32.065 59 S 0.68885686472565 0.72359912796811 0.68837137983937 32.065 60 S 0.31114313527435 0.22359912796811 0.81162862016063 32.065 61 Dy 0.02948170256668 0.26277261329993 0.20987222384117 162.500 62 Dy 0.97051829743332 0.76277261329993 0.29012777615883 162.500 63 Dy 0.97051829743332 0.73722738670007 0.79012777615883 162.500 64 Dy 0.02948170256668 0.23722738670007 0.70987222384117 162.500 65 Dy 0.39908741042908 0.87489965133062 0.36853934866065 162.500 66 Dy 0.60091258957092 0.37489965133062 0.13146065133935 162.500 67 Dy 0.60091258957092 0.12510034866938 0.63146065133935 162.500 68 Dy 0.39908741042908 0.62510034866938 0.86853934866065 162.500 69 Dy 0.81595927571301 0.15155911049434 0.44081679579295 162.500 70 Dy 0.18404072428699 0.65155911049434 0.05918320420705 162.500 71 Dy 0.18404072428699 0.84844088950566 0.55918320420705 162.500 72 Dy 0.81595927571301 0.34844088950566 0.94081679579295 162.500 73 Dy 0.48391966912616 0.48321374337606 0.37457054331148 162.500 74 Dy 0.51608033087384 0.98321374337606 0.12542945668852 162.500 75 Dy 0.51608033087384 0.51678625662394 0.62542945668852 162.500 76 Dy 0.48391966912616 0.01678625662394 0.87457054331148 162.500 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.740232400757172 0.000000000000000 0.000000000000000 b 0.000000000000000 10.846425900000000 0.000000000000000 c -6.090494371308234 0.000000000000000 15.768897699450417 Atomic positions (fractional): 1 Si 0.47485050952689 0.21498307148826 0.26656006752746 28.085 > 1 2 Si 0.52514949047311 0.71498307148826 0.23343993247254 28.085 > 2 3 Si 0.52514949047311 0.78501692851174 0.73343993247254 28.085 > 3 4 Si 0.47485050952689 0.28501692851174 0.76656006752746 28.085 > 4 5 Si 0.75854666323577 0.38264904004776 0.56003997353957 28.085 > 5 6 Si 0.24145333676423 0.88264904004776 0.93996002646043 28.085 > 6 7 Si 0.24145333676423 0.61735095995224 0.43996002646043 28.085 > 7 8 Si 0.75854666323577 0.11735095995224 0.06003997353957 28.085 > 8 9 Si 0.10357782881290 0.05442843676365 0.38292586930171 28.085 > 9 10 Si 0.89642217118710 0.55442843676365 0.11707413069829 28.085 > 10 11 Si 0.89642217118710 0.94557156323635 0.61707413069829 28.085 > 11 12 Si 0.10357782881290 0.44557156323635 0.88292586930171 28.085 > 12 13 S 0.57000998213595 0.03911947878037 0.31210582293381 32.065 > 13 14 S 0.42999001786405 0.53911947878038 0.18789417706619 32.065 > 14 15 S 0.42999001786405 0.96088052121962 0.68789417706619 32.065 > 15 16 S 0.57000998213595 0.46088052121962 0.81210582293381 32.065 > 16 17 S 0.68330753506982 0.56095558035472 0.52695544955449 32.065 > 17 18 S 0.31669246493018 0.06095558035472 0.97304455044551 32.065 > 18 19 S 0.31669246493018 0.43904441964528 0.47304455044551 32.065 > 19 20 S 0.68330753506982 0.93904441964528 0.02695544955449 32.065 > 20 21 S 0.02144666880624 0.23417680224315 0.37310454178838 32.065 > 21 22 S 0.97855333119376 0.73417680224315 0.12689545821162 32.065 > 22 23 S 0.97855333119376 0.76582319775685 0.62689545821162 32.065 > 23 24 S 0.02144666880624 0.26582319775685 0.87310454178838 32.065 > 24 25 S 0.68600608525471 0.97450934223207 0.52197366317024 32.065 > 25 26 S 0.31399391474529 0.47450934223207 0.97802633682976 32.065 > 26 27 S 0.31399391474529 0.02549065776793 0.47802633682976 32.065 > 27 28 S 0.68600608525471 0.52549065776793 0.02197366317024 32.065 > 28 29 S 0.12012308384558 0.97749883995453 0.27019374769862 32.065 > 29 30 S 0.87987691615442 0.47749883995453 0.22980625230138 32.065 > 30 31 S 0.87987691615442 0.02250116004548 0.72980625230138 32.065 > 31 32 S 0.12012308384558 0.52250116004547 0.77019374769862 32.065 > 32 33 S 0.94646985069399 0.93517099885340 0.40717556819926 32.065 > 33 34 S 0.05353014930601 0.43517099885339 0.09282443180074 32.065 > 34 35 S 0.05353014930601 0.06482900114661 0.59282443180074 32.065 > 35 36 S 0.94646985069399 0.56482900114660 0.90717556819926 32.065 > 36 37 S 0.96345917654702 0.34506882762190 0.55296461839842 32.065 > 37 38 S 0.03654082345298 0.84506882762190 0.94703538160158 32.065 > 38 39 S 0.03654082345298 0.65493117237810 0.44703538160158 32.065 > 39 40 S 0.96345917654702 0.15493117237810 0.05296461839842 32.065 > 40 41 S 0.59446842213787 0.25852916247842 0.48451133016625 32.065 > 41 42 S 0.40553157786213 0.75852916247842 0.01548866983375 32.065 > 42 43 S 0.40553157786213 0.74147083752158 0.51548866983375 32.065 > 43 44 S 0.59446842213787 0.24147083752158 0.98451133016625 32.065 > 44 45 S 0.66081032970534 0.33708279198233 0.31357994073922 32.065 > 45 46 S 0.33918967029466 0.83708279198233 0.18642005926078 32.065 > 46 47 S 0.33918967029466 0.66291720801767 0.68642005926078 32.065 > 47 48 S 0.66081032970534 0.16291720801767 0.81357994073922 32.065 > 48 49 S 0.61215562882916 0.71289495698883 0.36666938964351 32.065 > 49 50 S 0.38784437117083 0.21289495698883 0.13333061035649 32.065 > 50 51 S 0.38784437117083 0.28710504301117 0.63333061035649 32.065 > 51 52 S 0.61215562882916 0.78710504301117 0.86666938964351 32.065 > 52 53 S 0.23660717057735 0.65314352775757 0.31439256842958 32.065 > 53 54 S 0.76339282942265 0.15314352775757 0.18560743157043 32.065 > 54 55 S 0.76339282942265 0.34685647224243 0.68560743157043 32.065 > 55 56 S 0.23660717057735 0.84685647224243 0.81439256842957 32.065 > 56 57 S 0.31114313527435 0.27640087203189 0.31162862016063 32.065 > 57 58 S 0.68885686472565 0.77640087203189 0.18837137983937 32.065 > 58 59 S 0.68885686472565 0.72359912796811 0.68837137983937 32.065 > 59 60 S 0.31114313527435 0.22359912796811 0.81162862016063 32.065 > 60 61 Dy 0.02948170256668 0.26277261329993 0.20987222384117 162.500 > 61 62 Dy 0.97051829743332 0.76277261329993 0.29012777615883 162.500 > 62 63 Dy 0.97051829743332 0.73722738670007 0.79012777615883 162.500 > 63 64 Dy 0.02948170256668 0.23722738670007 0.70987222384117 162.500 > 64 65 Dy 0.39908741042908 0.87489965133062 0.36853934866065 162.500 > 65 66 Dy 0.60091258957092 0.37489965133062 0.13146065133935 162.500 > 66 67 Dy 0.60091258957092 0.12510034866938 0.63146065133935 162.500 > 67 68 Dy 0.39908741042908 0.62510034866938 0.86853934866065 162.500 > 68 69 Dy 0.81595927571301 0.15155911049434 0.44081679579295 162.500 > 69 70 Dy 0.18404072428699 0.65155911049434 0.05918320420705 162.500 > 70 71 Dy 0.18404072428699 0.84844088950566 0.55918320420705 162.500 > 71 72 Dy 0.81595927571301 0.34844088950566 0.94081679579295 162.500 > 72 73 Dy 0.48391966912616 0.48321374337606 0.37457054331148 162.500 > 73 74 Dy 0.51608033087384 0.98321374337606 0.12542945668852 162.500 > 74 75 Dy 0.51608033087384 0.51678625662394 0.62542945668852 162.500 > 75 76 Dy 0.48391966912616 0.01678625662394 0.87457054331148 162.500 > 76 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.1329419 0.0000000 -0.1628665 0.0000000 6.0604590 0.0000000 -0.1628624 0.0000000 6.3349741 -------------------------- Born effective charges -------------------------- 1 Si 2.6022385 -0.4566681 -0.7558107 -0.5847602 2.4963760 -0.0764194 -0.0093773 -0.2513127 2.6549993 2 Si 2.6022385 0.4566681 -0.7558107 0.5847602 2.4963760 0.0764194 -0.0093773 0.2513127 2.6549993 3 Si 2.6022385 -0.4566681 -0.7558107 -0.5847602 2.4963760 -0.0764194 -0.0093773 -0.2513127 2.6549993 4 Si 2.6022385 0.4566681 -0.7558107 0.5847602 2.4963760 0.0764194 -0.0093773 0.2513127 2.6549993 5 Si 2.2659847 -0.7266740 0.1044669 -0.6528156 2.6316411 -0.1261203 0.2869014 -0.1511319 2.1661486 6 Si 2.2659847 0.7266740 0.1044669 0.6528156 2.6316411 0.1261203 0.2869014 0.1511319 2.1661486 7 Si 2.2659847 -0.7266740 0.1044669 -0.6528156 2.6316411 -0.1261203 0.2869014 -0.1511319 2.1661486 8 Si 2.2659847 0.7266740 0.1044669 0.6528156 2.6316411 0.1261203 0.2869014 0.1511319 2.1661486 9 Si 2.6946066 -0.5079203 0.2258955 -0.5024243 2.4714743 -0.0175942 0.4511094 -0.7746874 2.2656889 10 Si 2.6946066 0.5079203 0.2258955 0.5024243 2.4714743 0.0175942 0.4511094 0.7746874 2.2656889 11 Si 2.6946066 -0.5079203 0.2258955 -0.5024243 2.4714743 -0.0175942 0.4511094 -0.7746874 2.2656889 12 Si 2.6946066 0.5079203 0.2258955 0.5024243 2.4714743 0.0175942 0.4511094 0.7746874 2.2656889 13 S -1.4002996 -0.2251680 0.0803914 -0.2853569 -2.3110178 0.1651328 0.0147145 0.2340372 -2.0760538 14 S -1.4002996 0.2251680 0.0803914 0.2853569 -2.3110178 -0.1651328 0.0147145 -0.2340372 -2.0760538 15 S -1.4002996 -0.2251680 0.0803914 -0.2853569 -2.3110178 0.1651328 0.0147145 0.2340372 -2.0760538 16 S -1.4002996 0.2251680 0.0803914 0.2853569 -2.3110178 -0.1651328 0.0147145 -0.2340372 -2.0760538 17 S -1.1545435 0.5042385 -0.0599456 0.5771089 -1.6901351 0.1672036 -0.0107785 0.2670960 -1.7934270 18 S -1.1545435 -0.5042385 -0.0599456 -0.5771089 -1.6901351 -0.1672036 -0.0107785 -0.2670960 -1.7934270 19 S -1.1545435 0.5042385 -0.0599456 0.5771089 -1.6901351 0.1672036 -0.0107785 0.2670960 -1.7934270 20 S -1.1545435 -0.5042385 -0.0599456 -0.5771089 -1.6901351 -0.1672036 -0.0107785 -0.2670960 -1.7934270 21 S -2.0694783 0.3508107 0.6359637 0.2429965 -1.7962806 0.5496100 0.5909468 0.7795094 -1.8821580 22 S -2.0694783 -0.3508107 0.6359637 -0.2429965 -1.7962806 -0.5496100 0.5909468 -0.7795094 -1.8821580 23 S -2.0694783 0.3508107 0.6359637 0.2429965 -1.7962806 0.5496100 0.5909468 0.7795094 -1.8821580 24 S -2.0694783 -0.3508107 0.6359637 -0.2429965 -1.7962806 -0.5496100 0.5909468 -0.7795094 -1.8821580 25 S -2.2981231 0.1246425 -0.4053281 0.1441777 -1.2935931 -0.1344613 -0.5012571 0.1799834 -2.1415294 26 S -2.2981231 -0.1246425 -0.4053281 -0.1441777 -1.2935931 0.1344613 -0.5012571 -0.1799834 -2.1415294 27 S -2.2981231 0.1246425 -0.4053281 0.1441777 -1.2935931 -0.1344613 -0.5012571 0.1799834 -2.1415294 28 S -2.2981231 -0.1246425 -0.4053281 -0.1441777 -1.2935931 0.1344613 -0.5012571 -0.1799834 -2.1415294 29 S -1.6068757 0.2612073 -0.0484866 0.2070362 -2.1761853 0.0962674 0.0396738 0.0824620 -1.5520317 30 S -1.6068757 -0.2612073 -0.0484866 -0.2070362 -2.1761853 -0.0962674 0.0396738 -0.0824620 -1.5520317 31 S -1.6068757 0.2612073 -0.0484866 0.2070362 -2.1761853 0.0962674 0.0396738 0.0824620 -1.5520317 32 S -1.6068757 -0.2612073 -0.0484866 -0.2070362 -2.1761853 -0.0962674 0.0396738 -0.0824620 -1.5520317 33 S -1.9152306 0.3800447 0.3837701 0.3461596 -1.9119124 -0.2794922 0.2656141 -0.1176261 -1.6928568 34 S -1.9152306 -0.3800447 0.3837701 -0.3461596 -1.9119124 0.2794922 0.2656141 0.1176261 -1.6928568 35 S -1.9152306 0.3800447 0.3837701 0.3461596 -1.9119124 -0.2794922 0.2656141 -0.1176261 -1.6928568 36 S -1.9152306 -0.3800447 0.3837701 -0.3461596 -1.9119124 0.2794922 0.2656141 0.1176261 -1.6928568 37 S -1.6636885 0.5331718 -0.1311009 0.4608912 -1.2384233 -0.2107489 -0.2389259 -0.1771974 -1.8917944 38 S -1.6636885 -0.5331718 -0.1311009 -0.4608912 -1.2384233 0.2107489 -0.2389259 0.1771974 -1.8917944 39 S -1.6636885 0.5331718 -0.1311009 0.4608912 -1.2384233 -0.2107489 -0.2389259 -0.1771974 -1.8917944 40 S -1.6636885 -0.5331718 -0.1311009 -0.4608912 -1.2384233 0.2107489 -0.2389259 0.1771974 -1.8917944 41 S -1.4835372 0.1191037 0.1878286 0.1427279 -1.9606450 0.1245439 0.2589612 0.0474705 -2.0428440 42 S -1.4835372 -0.1191037 0.1878286 -0.1427279 -1.9606450 -0.1245439 0.2589612 -0.0474705 -2.0428440 43 S -1.4835372 0.1191037 0.1878286 0.1427279 -1.9606450 0.1245439 0.2589612 0.0474705 -2.0428440 44 S -1.4835372 -0.1191037 0.1878286 -0.1427279 -1.9606450 -0.1245439 0.2589612 -0.0474705 -2.0428440 45 S -1.7061115 0.1245866 0.1775021 0.1094786 -1.8530820 -0.0144706 0.0740953 -0.0118380 -2.2473328 46 S -1.7061115 -0.1245866 0.1775021 -0.1094786 -1.8530820 0.0144706 0.0740953 0.0118380 -2.2473328 47 S -1.7061115 0.1245866 0.1775021 0.1094786 -1.8530820 -0.0144706 0.0740953 -0.0118380 -2.2473328 48 S -1.7061115 -0.1245866 0.1775021 -0.1094786 -1.8530820 0.0144706 0.0740953 0.0118380 -2.2473328 49 S -1.5750612 0.0977326 0.4822551 0.0651261 -1.9250668 -0.0239790 0.4174394 -0.1658925 -1.7439392 50 S -1.5750612 -0.0977326 0.4822551 -0.0651261 -1.9250668 0.0239790 0.4174394 0.1658925 -1.7439392 51 S -1.5750612 0.0977326 0.4822551 0.0651261 -1.9250668 -0.0239790 0.4174394 -0.1658925 -1.7439392 52 S -1.5750612 -0.0977326 0.4822551 -0.0651261 -1.9250668 0.0239790 0.4174394 0.1658925 -1.7439392 53 S -2.0748121 0.4818200 -0.0907870 0.4930891 -1.8212587 0.1709613 -0.0406617 0.4356026 -1.6570152 54 S -2.0748121 -0.4818200 -0.0907870 -0.4930891 -1.8212587 -0.1709613 -0.0406617 -0.4356026 -1.6570152 55 S -2.0748121 0.4818200 -0.0907870 0.4930891 -1.8212587 0.1709613 -0.0406617 0.4356026 -1.6570152 56 S -2.0748121 -0.4818200 -0.0907870 -0.4930891 -1.8212587 -0.1709613 -0.0406617 -0.4356026 -1.6570152 57 S -3.0245408 0.1117391 -0.4598354 0.1018817 -1.6070054 -0.3891186 -0.3720064 -0.3658609 -1.3662048 58 S -3.0245408 -0.1117391 -0.4598354 -0.1018817 -1.6070054 0.3891186 -0.3720064 0.3658609 -1.3662048 59 S -3.0245408 0.1117391 -0.4598354 0.1018817 -1.6070054 -0.3891186 -0.3720064 -0.3658609 -1.3662048 60 S -3.0245408 -0.1117391 -0.4598354 -0.1018817 -1.6070054 0.3891186 -0.3720064 0.3658609 -1.3662048 61 Dy 3.9216989 0.4052943 0.7823644 0.3527882 3.3627491 -1.0450357 0.5467585 -0.6008748 4.0486731 62 Dy 3.9216989 -0.4052943 0.7823644 -0.3527882 3.3627491 1.0450357 0.5467585 0.6008748 4.0486731 63 Dy 3.9216989 0.4052943 0.7823644 0.3527882 3.3627491 -1.0450357 0.5467585 -0.6008748 4.0486731 64 Dy 3.9216989 -0.4052943 0.7823644 -0.3527882 3.3627491 1.0450357 0.5467585 0.6008748 4.0486731 65 Dy 3.7468039 -0.0772866 -0.4832258 0.0433252 3.7439917 0.0985666 -0.8959292 0.1237261 3.2108123 66 Dy 3.7468039 0.0772866 -0.4832258 -0.0433252 3.7439917 -0.0985666 -0.8959292 -0.1237261 3.2108123 67 Dy 3.7468039 -0.0772866 -0.4832258 0.0433252 3.7439917 0.0985666 -0.8959292 0.1237261 3.2108123 68 Dy 3.7468039 0.0772866 -0.4832258 -0.0433252 3.7439917 -0.0985666 -0.8959292 -0.1237261 3.2108123 69 Dy 3.9360977 -0.6296809 -0.3868098 -0.7344530 2.8550833 0.1012392 -0.3010806 -0.0574872 3.9708475 70 Dy 3.9360977 0.6296809 -0.3868098 0.7344530 2.8550833 -0.1012392 -0.3010806 0.0574872 3.9708475 71 Dy 3.9360977 -0.6296809 -0.3868098 -0.7344530 2.8550833 0.1012392 -0.3010806 -0.0574872 3.9708475 72 Dy 3.9360977 0.6296809 -0.3868098 0.7344530 2.8550833 -0.1012392 -0.3010806 0.0574872 3.9708475 73 Dy 2.8048716 -0.3871909 -0.2391079 -0.5680497 4.0232898 -0.0508235 -0.5761978 0.0788367 3.7700172 74 Dy 2.8048716 0.3871909 -0.2391079 0.5680497 4.0232898 0.0508235 -0.5761978 -0.0788367 3.7700172 75 Dy 2.8048716 -0.3871909 -0.2391079 -0.5680497 4.0232898 -0.0508235 -0.5761978 0.0788367 3.7700172 76 Dy 2.8048716 0.3871909 -0.2391079 0.5680497 4.0232898 0.0508235 -0.5761978 -0.0788367 3.7700172 ---------------------------------------------------------------------------- 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] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] 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] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 13, 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] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] 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] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 21, 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] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] 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] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 29, 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] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] 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] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] 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] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 45, 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] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] 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] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] 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] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] 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] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 69, 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] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] 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] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) 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 2026-01-07 23:47:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:47:33]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.740232400757172 0.000000000000000 0.000000000000000 b 0.000000000000000 10.846425900000000 0.000000000000000 c -6.090494371308234 0.000000000000000 15.768897699450417 Atomic positions (fractional): 1 Si 0.47485050952689 0.21498307148826 0.26656006752746 28.085 2 Si 0.52514949047311 0.71498307148826 0.23343993247254 28.085 3 Si 0.52514949047311 0.78501692851174 0.73343993247254 28.085 4 Si 0.47485050952689 0.28501692851174 0.76656006752746 28.085 5 Si 0.75854666323577 0.38264904004776 0.56003997353957 28.085 6 Si 0.24145333676423 0.88264904004776 0.93996002646043 28.085 7 Si 0.24145333676423 0.61735095995224 0.43996002646043 28.085 8 Si 0.75854666323577 0.11735095995224 0.06003997353957 28.085 9 Si 0.10357782881290 0.05442843676365 0.38292586930171 28.085 10 Si 0.89642217118710 0.55442843676365 0.11707413069829 28.085 11 Si 0.89642217118710 0.94557156323635 0.61707413069829 28.085 12 Si 0.10357782881290 0.44557156323635 0.88292586930171 28.085 13 S 0.57000998213595 0.03911947878037 0.31210582293381 32.065 14 S 0.42999001786405 0.53911947878038 0.18789417706619 32.065 15 S 0.42999001786405 0.96088052121962 0.68789417706619 32.065 16 S 0.57000998213595 0.46088052121962 0.81210582293381 32.065 17 S 0.68330753506982 0.56095558035472 0.52695544955449 32.065 18 S 0.31669246493018 0.06095558035472 0.97304455044551 32.065 19 S 0.31669246493018 0.43904441964528 0.47304455044551 32.065 20 S 0.68330753506982 0.93904441964528 0.02695544955449 32.065 21 S 0.02144666880624 0.23417680224315 0.37310454178838 32.065 22 S 0.97855333119376 0.73417680224315 0.12689545821162 32.065 23 S 0.97855333119376 0.76582319775685 0.62689545821162 32.065 24 S 0.02144666880624 0.26582319775685 0.87310454178838 32.065 25 S 0.68600608525471 0.97450934223207 0.52197366317024 32.065 26 S 0.31399391474529 0.47450934223207 0.97802633682976 32.065 27 S 0.31399391474529 0.02549065776793 0.47802633682976 32.065 28 S 0.68600608525471 0.52549065776793 0.02197366317024 32.065 29 S 0.12012308384558 0.97749883995453 0.27019374769862 32.065 30 S 0.87987691615442 0.47749883995453 0.22980625230138 32.065 31 S 0.87987691615442 0.02250116004548 0.72980625230138 32.065 32 S 0.12012308384558 0.52250116004547 0.77019374769862 32.065 33 S 0.94646985069399 0.93517099885340 0.40717556819926 32.065 34 S 0.05353014930601 0.43517099885339 0.09282443180074 32.065 35 S 0.05353014930601 0.06482900114661 0.59282443180074 32.065 36 S 0.94646985069399 0.56482900114660 0.90717556819926 32.065 37 S 0.96345917654702 0.34506882762190 0.55296461839842 32.065 38 S 0.03654082345298 0.84506882762190 0.94703538160158 32.065 39 S 0.03654082345298 0.65493117237810 0.44703538160158 32.065 40 S 0.96345917654702 0.15493117237810 0.05296461839842 32.065 41 S 0.59446842213787 0.25852916247842 0.48451133016625 32.065 42 S 0.40553157786213 0.75852916247842 0.01548866983375 32.065 43 S 0.40553157786213 0.74147083752158 0.51548866983375 32.065 44 S 0.59446842213787 0.24147083752158 0.98451133016625 32.065 45 S 0.66081032970534 0.33708279198233 0.31357994073922 32.065 46 S 0.33918967029466 0.83708279198233 0.18642005926078 32.065 47 S 0.33918967029466 0.66291720801767 0.68642005926078 32.065 48 S 0.66081032970534 0.16291720801767 0.81357994073922 32.065 49 S 0.61215562882916 0.71289495698883 0.36666938964351 32.065 50 S 0.38784437117083 0.21289495698883 0.13333061035649 32.065 51 S 0.38784437117083 0.28710504301117 0.63333061035649 32.065 52 S 0.61215562882916 0.78710504301117 0.86666938964351 32.065 53 S 0.23660717057735 0.65314352775757 0.31439256842958 32.065 54 S 0.76339282942265 0.15314352775757 0.18560743157043 32.065 55 S 0.76339282942265 0.34685647224243 0.68560743157043 32.065 56 S 0.23660717057735 0.84685647224243 0.81439256842957 32.065 57 S 0.31114313527435 0.27640087203189 0.31162862016063 32.065 58 S 0.68885686472565 0.77640087203189 0.18837137983937 32.065 59 S 0.68885686472565 0.72359912796811 0.68837137983937 32.065 60 S 0.31114313527435 0.22359912796811 0.81162862016063 32.065 61 Dy 0.02948170256668 0.26277261329993 0.20987222384117 162.500 62 Dy 0.97051829743332 0.76277261329993 0.29012777615883 162.500 63 Dy 0.97051829743332 0.73722738670007 0.79012777615883 162.500 64 Dy 0.02948170256668 0.23722738670007 0.70987222384117 162.500 65 Dy 0.39908741042908 0.87489965133062 0.36853934866065 162.500 66 Dy 0.60091258957092 0.37489965133062 0.13146065133935 162.500 67 Dy 0.60091258957092 0.12510034866938 0.63146065133935 162.500 68 Dy 0.39908741042908 0.62510034866938 0.86853934866065 162.500 69 Dy 0.81595927571301 0.15155911049434 0.44081679579295 162.500 70 Dy 0.18404072428699 0.65155911049434 0.05918320420705 162.500 71 Dy 0.18404072428699 0.84844088950566 0.55918320420705 162.500 72 Dy 0.81595927571301 0.34844088950566 0.94081679579295 162.500 73 Dy 0.48391966912616 0.48321374337606 0.37457054331148 162.500 74 Dy 0.51608033087384 0.98321374337606 0.12542945668852 162.500 75 Dy 0.51608033087384 0.51678625662394 0.62542945668852 162.500 76 Dy 0.48391966912616 0.01678625662394 0.87457054331148 162.500 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.740232400757172 0.000000000000000 0.000000000000000 b 0.000000000000000 10.846425900000000 0.000000000000000 c -6.090494371308234 0.000000000000000 15.768897699450417 Atomic positions (fractional): 1 Si 0.47485050952689 0.21498307148826 0.26656006752746 28.085 > 1 2 Si 0.52514949047311 0.71498307148826 0.23343993247254 28.085 > 2 3 Si 0.52514949047311 0.78501692851174 0.73343993247254 28.085 > 3 4 Si 0.47485050952689 0.28501692851174 0.76656006752746 28.085 > 4 5 Si 0.75854666323577 0.38264904004776 0.56003997353957 28.085 > 5 6 Si 0.24145333676423 0.88264904004776 0.93996002646043 28.085 > 6 7 Si 0.24145333676423 0.61735095995224 0.43996002646043 28.085 > 7 8 Si 0.75854666323577 0.11735095995224 0.06003997353957 28.085 > 8 9 Si 0.10357782881290 0.05442843676365 0.38292586930171 28.085 > 9 10 Si 0.89642217118710 0.55442843676365 0.11707413069829 28.085 > 10 11 Si 0.89642217118710 0.94557156323635 0.61707413069829 28.085 > 11 12 Si 0.10357782881290 0.44557156323635 0.88292586930171 28.085 > 12 13 S 0.57000998213595 0.03911947878037 0.31210582293381 32.065 > 13 14 S 0.42999001786405 0.53911947878038 0.18789417706619 32.065 > 14 15 S 0.42999001786405 0.96088052121962 0.68789417706619 32.065 > 15 16 S 0.57000998213595 0.46088052121962 0.81210582293381 32.065 > 16 17 S 0.68330753506982 0.56095558035472 0.52695544955449 32.065 > 17 18 S 0.31669246493018 0.06095558035472 0.97304455044551 32.065 > 18 19 S 0.31669246493018 0.43904441964528 0.47304455044551 32.065 > 19 20 S 0.68330753506982 0.93904441964528 0.02695544955449 32.065 > 20 21 S 0.02144666880624 0.23417680224315 0.37310454178838 32.065 > 21 22 S 0.97855333119376 0.73417680224315 0.12689545821162 32.065 > 22 23 S 0.97855333119376 0.76582319775685 0.62689545821162 32.065 > 23 24 S 0.02144666880624 0.26582319775685 0.87310454178838 32.065 > 24 25 S 0.68600608525471 0.97450934223207 0.52197366317024 32.065 > 25 26 S 0.31399391474529 0.47450934223207 0.97802633682976 32.065 > 26 27 S 0.31399391474529 0.02549065776793 0.47802633682976 32.065 > 27 28 S 0.68600608525471 0.52549065776793 0.02197366317024 32.065 > 28 29 S 0.12012308384558 0.97749883995453 0.27019374769862 32.065 > 29 30 S 0.87987691615442 0.47749883995453 0.22980625230138 32.065 > 30 31 S 0.87987691615442 0.02250116004548 0.72980625230138 32.065 > 31 32 S 0.12012308384558 0.52250116004547 0.77019374769862 32.065 > 32 33 S 0.94646985069399 0.93517099885340 0.40717556819926 32.065 > 33 34 S 0.05353014930601 0.43517099885339 0.09282443180074 32.065 > 34 35 S 0.05353014930601 0.06482900114661 0.59282443180074 32.065 > 35 36 S 0.94646985069399 0.56482900114660 0.90717556819926 32.065 > 36 37 S 0.96345917654702 0.34506882762190 0.55296461839842 32.065 > 37 38 S 0.03654082345298 0.84506882762190 0.94703538160158 32.065 > 38 39 S 0.03654082345298 0.65493117237810 0.44703538160158 32.065 > 39 40 S 0.96345917654702 0.15493117237810 0.05296461839842 32.065 > 40 41 S 0.59446842213787 0.25852916247842 0.48451133016625 32.065 > 41 42 S 0.40553157786213 0.75852916247842 0.01548866983375 32.065 > 42 43 S 0.40553157786213 0.74147083752158 0.51548866983375 32.065 > 43 44 S 0.59446842213787 0.24147083752158 0.98451133016625 32.065 > 44 45 S 0.66081032970534 0.33708279198233 0.31357994073922 32.065 > 45 46 S 0.33918967029466 0.83708279198233 0.18642005926078 32.065 > 46 47 S 0.33918967029466 0.66291720801767 0.68642005926078 32.065 > 47 48 S 0.66081032970534 0.16291720801767 0.81357994073922 32.065 > 48 49 S 0.61215562882916 0.71289495698883 0.36666938964351 32.065 > 49 50 S 0.38784437117083 0.21289495698883 0.13333061035649 32.065 > 50 51 S 0.38784437117083 0.28710504301117 0.63333061035649 32.065 > 51 52 S 0.61215562882916 0.78710504301117 0.86666938964351 32.065 > 52 53 S 0.23660717057735 0.65314352775757 0.31439256842958 32.065 > 53 54 S 0.76339282942265 0.15314352775757 0.18560743157043 32.065 > 54 55 S 0.76339282942265 0.34685647224243 0.68560743157043 32.065 > 55 56 S 0.23660717057735 0.84685647224243 0.81439256842957 32.065 > 56 57 S 0.31114313527435 0.27640087203189 0.31162862016063 32.065 > 57 58 S 0.68885686472565 0.77640087203189 0.18837137983937 32.065 > 58 59 S 0.68885686472565 0.72359912796811 0.68837137983937 32.065 > 59 60 S 0.31114313527435 0.22359912796811 0.81162862016063 32.065 > 60 61 Dy 0.02948170256668 0.26277261329993 0.20987222384117 162.500 > 61 62 Dy 0.97051829743332 0.76277261329993 0.29012777615883 162.500 > 62 63 Dy 0.97051829743332 0.73722738670007 0.79012777615883 162.500 > 63 64 Dy 0.02948170256668 0.23722738670007 0.70987222384117 162.500 > 64 65 Dy 0.39908741042908 0.87489965133062 0.36853934866065 162.500 > 65 66 Dy 0.60091258957092 0.37489965133062 0.13146065133935 162.500 > 66 67 Dy 0.60091258957092 0.12510034866938 0.63146065133935 162.500 > 67 68 Dy 0.39908741042908 0.62510034866938 0.86853934866065 162.500 > 68 69 Dy 0.81595927571301 0.15155911049434 0.44081679579295 162.500 > 69 70 Dy 0.18404072428699 0.65155911049434 0.05918320420705 162.500 > 70 71 Dy 0.18404072428699 0.84844088950566 0.55918320420705 162.500 > 71 72 Dy 0.81595927571301 0.34844088950566 0.94081679579295 162.500 > 72 73 Dy 0.48391966912616 0.48321374337606 0.37457054331148 162.500 > 73 74 Dy 0.51608033087384 0.98321374337606 0.12542945668852 162.500 > 74 75 Dy 0.51608033087384 0.51678625662394 0.62542945668852 162.500 > 75 76 Dy 0.48391966912616 0.01678625662394 0.87457054331148 162.500 > 76 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.1329419 0.0000000 -0.1628665 0.0000000 6.0604590 0.0000000 -0.1628624 0.0000000 6.3349741 -------------------------- Born effective charges -------------------------- 1 Si 2.6022385 -0.4566681 -0.7558107 -0.5847602 2.4963760 -0.0764194 -0.0093773 -0.2513127 2.6549993 2 Si 2.6022385 0.4566681 -0.7558107 0.5847602 2.4963760 0.0764194 -0.0093773 0.2513127 2.6549993 3 Si 2.6022385 -0.4566681 -0.7558107 -0.5847602 2.4963760 -0.0764194 -0.0093773 -0.2513127 2.6549993 4 Si 2.6022385 0.4566681 -0.7558107 0.5847602 2.4963760 0.0764194 -0.0093773 0.2513127 2.6549993 5 Si 2.2659847 -0.7266740 0.1044669 -0.6528156 2.6316411 -0.1261203 0.2869014 -0.1511319 2.1661486 6 Si 2.2659847 0.7266740 0.1044669 0.6528156 2.6316411 0.1261203 0.2869014 0.1511319 2.1661486 7 Si 2.2659847 -0.7266740 0.1044669 -0.6528156 2.6316411 -0.1261203 0.2869014 -0.1511319 2.1661486 8 Si 2.2659847 0.7266740 0.1044669 0.6528156 2.6316411 0.1261203 0.2869014 0.1511319 2.1661486 9 Si 2.6946066 -0.5079203 0.2258955 -0.5024243 2.4714743 -0.0175942 0.4511094 -0.7746874 2.2656889 10 Si 2.6946066 0.5079203 0.2258955 0.5024243 2.4714743 0.0175942 0.4511094 0.7746874 2.2656889 11 Si 2.6946066 -0.5079203 0.2258955 -0.5024243 2.4714743 -0.0175942 0.4511094 -0.7746874 2.2656889 12 Si 2.6946066 0.5079203 0.2258955 0.5024243 2.4714743 0.0175942 0.4511094 0.7746874 2.2656889 13 S -1.4002996 -0.2251680 0.0803914 -0.2853569 -2.3110178 0.1651328 0.0147145 0.2340372 -2.0760538 14 S -1.4002996 0.2251680 0.0803914 0.2853569 -2.3110178 -0.1651328 0.0147145 -0.2340372 -2.0760538 15 S -1.4002996 -0.2251680 0.0803914 -0.2853569 -2.3110178 0.1651328 0.0147145 0.2340372 -2.0760538 16 S -1.4002996 0.2251680 0.0803914 0.2853569 -2.3110178 -0.1651328 0.0147145 -0.2340372 -2.0760538 17 S -1.1545435 0.5042385 -0.0599456 0.5771089 -1.6901351 0.1672036 -0.0107785 0.2670960 -1.7934270 18 S -1.1545435 -0.5042385 -0.0599456 -0.5771089 -1.6901351 -0.1672036 -0.0107785 -0.2670960 -1.7934270 19 S -1.1545435 0.5042385 -0.0599456 0.5771089 -1.6901351 0.1672036 -0.0107785 0.2670960 -1.7934270 20 S -1.1545435 -0.5042385 -0.0599456 -0.5771089 -1.6901351 -0.1672036 -0.0107785 -0.2670960 -1.7934270 21 S -2.0694783 0.3508107 0.6359637 0.2429965 -1.7962806 0.5496100 0.5909468 0.7795094 -1.8821580 22 S -2.0694783 -0.3508107 0.6359637 -0.2429965 -1.7962806 -0.5496100 0.5909468 -0.7795094 -1.8821580 23 S -2.0694783 0.3508107 0.6359637 0.2429965 -1.7962806 0.5496100 0.5909468 0.7795094 -1.8821580 24 S -2.0694783 -0.3508107 0.6359637 -0.2429965 -1.7962806 -0.5496100 0.5909468 -0.7795094 -1.8821580 25 S -2.2981231 0.1246425 -0.4053281 0.1441777 -1.2935931 -0.1344613 -0.5012571 0.1799834 -2.1415294 26 S -2.2981231 -0.1246425 -0.4053281 -0.1441777 -1.2935931 0.1344613 -0.5012571 -0.1799834 -2.1415294 27 S -2.2981231 0.1246425 -0.4053281 0.1441777 -1.2935931 -0.1344613 -0.5012571 0.1799834 -2.1415294 28 S -2.2981231 -0.1246425 -0.4053281 -0.1441777 -1.2935931 0.1344613 -0.5012571 -0.1799834 -2.1415294 29 S -1.6068757 0.2612073 -0.0484866 0.2070362 -2.1761853 0.0962674 0.0396738 0.0824620 -1.5520317 30 S -1.6068757 -0.2612073 -0.0484866 -0.2070362 -2.1761853 -0.0962674 0.0396738 -0.0824620 -1.5520317 31 S -1.6068757 0.2612073 -0.0484866 0.2070362 -2.1761853 0.0962674 0.0396738 0.0824620 -1.5520317 32 S -1.6068757 -0.2612073 -0.0484866 -0.2070362 -2.1761853 -0.0962674 0.0396738 -0.0824620 -1.5520317 33 S -1.9152306 0.3800447 0.3837701 0.3461596 -1.9119124 -0.2794922 0.2656141 -0.1176261 -1.6928568 34 S -1.9152306 -0.3800447 0.3837701 -0.3461596 -1.9119124 0.2794922 0.2656141 0.1176261 -1.6928568 35 S -1.9152306 0.3800447 0.3837701 0.3461596 -1.9119124 -0.2794922 0.2656141 -0.1176261 -1.6928568 36 S -1.9152306 -0.3800447 0.3837701 -0.3461596 -1.9119124 0.2794922 0.2656141 0.1176261 -1.6928568 37 S -1.6636885 0.5331718 -0.1311009 0.4608912 -1.2384233 -0.2107489 -0.2389259 -0.1771974 -1.8917944 38 S -1.6636885 -0.5331718 -0.1311009 -0.4608912 -1.2384233 0.2107489 -0.2389259 0.1771974 -1.8917944 39 S -1.6636885 0.5331718 -0.1311009 0.4608912 -1.2384233 -0.2107489 -0.2389259 -0.1771974 -1.8917944 40 S -1.6636885 -0.5331718 -0.1311009 -0.4608912 -1.2384233 0.2107489 -0.2389259 0.1771974 -1.8917944 41 S -1.4835372 0.1191037 0.1878286 0.1427279 -1.9606450 0.1245439 0.2589612 0.0474705 -2.0428440 42 S -1.4835372 -0.1191037 0.1878286 -0.1427279 -1.9606450 -0.1245439 0.2589612 -0.0474705 -2.0428440 43 S -1.4835372 0.1191037 0.1878286 0.1427279 -1.9606450 0.1245439 0.2589612 0.0474705 -2.0428440 44 S -1.4835372 -0.1191037 0.1878286 -0.1427279 -1.9606450 -0.1245439 0.2589612 -0.0474705 -2.0428440 45 S -1.7061115 0.1245866 0.1775021 0.1094786 -1.8530820 -0.0144706 0.0740953 -0.0118380 -2.2473328 46 S -1.7061115 -0.1245866 0.1775021 -0.1094786 -1.8530820 0.0144706 0.0740953 0.0118380 -2.2473328 47 S -1.7061115 0.1245866 0.1775021 0.1094786 -1.8530820 -0.0144706 0.0740953 -0.0118380 -2.2473328 48 S -1.7061115 -0.1245866 0.1775021 -0.1094786 -1.8530820 0.0144706 0.0740953 0.0118380 -2.2473328 49 S -1.5750612 0.0977326 0.4822551 0.0651261 -1.9250668 -0.0239790 0.4174394 -0.1658925 -1.7439392 50 S -1.5750612 -0.0977326 0.4822551 -0.0651261 -1.9250668 0.0239790 0.4174394 0.1658925 -1.7439392 51 S -1.5750612 0.0977326 0.4822551 0.0651261 -1.9250668 -0.0239790 0.4174394 -0.1658925 -1.7439392 52 S -1.5750612 -0.0977326 0.4822551 -0.0651261 -1.9250668 0.0239790 0.4174394 0.1658925 -1.7439392 53 S -2.0748121 0.4818200 -0.0907870 0.4930891 -1.8212587 0.1709613 -0.0406617 0.4356026 -1.6570152 54 S -2.0748121 -0.4818200 -0.0907870 -0.4930891 -1.8212587 -0.1709613 -0.0406617 -0.4356026 -1.6570152 55 S -2.0748121 0.4818200 -0.0907870 0.4930891 -1.8212587 0.1709613 -0.0406617 0.4356026 -1.6570152 56 S -2.0748121 -0.4818200 -0.0907870 -0.4930891 -1.8212587 -0.1709613 -0.0406617 -0.4356026 -1.6570152 57 S -3.0245408 0.1117391 -0.4598354 0.1018817 -1.6070054 -0.3891186 -0.3720064 -0.3658609 -1.3662048 58 S -3.0245408 -0.1117391 -0.4598354 -0.1018817 -1.6070054 0.3891186 -0.3720064 0.3658609 -1.3662048 59 S -3.0245408 0.1117391 -0.4598354 0.1018817 -1.6070054 -0.3891186 -0.3720064 -0.3658609 -1.3662048 60 S -3.0245408 -0.1117391 -0.4598354 -0.1018817 -1.6070054 0.3891186 -0.3720064 0.3658609 -1.3662048 61 Dy 3.9216989 0.4052943 0.7823644 0.3527882 3.3627491 -1.0450357 0.5467585 -0.6008748 4.0486731 62 Dy 3.9216989 -0.4052943 0.7823644 -0.3527882 3.3627491 1.0450357 0.5467585 0.6008748 4.0486731 63 Dy 3.9216989 0.4052943 0.7823644 0.3527882 3.3627491 -1.0450357 0.5467585 -0.6008748 4.0486731 64 Dy 3.9216989 -0.4052943 0.7823644 -0.3527882 3.3627491 1.0450357 0.5467585 0.6008748 4.0486731 65 Dy 3.7468039 -0.0772866 -0.4832258 0.0433252 3.7439917 0.0985666 -0.8959292 0.1237261 3.2108123 66 Dy 3.7468039 0.0772866 -0.4832258 -0.0433252 3.7439917 -0.0985666 -0.8959292 -0.1237261 3.2108123 67 Dy 3.7468039 -0.0772866 -0.4832258 0.0433252 3.7439917 0.0985666 -0.8959292 0.1237261 3.2108123 68 Dy 3.7468039 0.0772866 -0.4832258 -0.0433252 3.7439917 -0.0985666 -0.8959292 -0.1237261 3.2108123 69 Dy 3.9360977 -0.6296809 -0.3868098 -0.7344530 2.8550833 0.1012392 -0.3010806 -0.0574872 3.9708475 70 Dy 3.9360977 0.6296809 -0.3868098 0.7344530 2.8550833 -0.1012392 -0.3010806 0.0574872 3.9708475 71 Dy 3.9360977 -0.6296809 -0.3868098 -0.7344530 2.8550833 0.1012392 -0.3010806 -0.0574872 3.9708475 72 Dy 3.9360977 0.6296809 -0.3868098 0.7344530 2.8550833 -0.1012392 -0.3010806 0.0574872 3.9708475 73 Dy 2.8048716 -0.3871909 -0.2391079 -0.5680497 4.0232898 -0.0508235 -0.5761978 0.0788367 3.7700172 74 Dy 2.8048716 0.3871909 -0.2391079 0.5680497 4.0232898 0.0508235 -0.5761978 -0.0788367 3.7700172 75 Dy 2.8048716 -0.3871909 -0.2391079 -0.5680497 4.0232898 -0.0508235 -0.5761978 0.0788367 3.7700172 76 Dy 2.8048716 0.3871909 -0.2391079 0.5680497 4.0232898 0.0508235 -0.5761978 -0.0788367 3.7700172 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 5 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: 0.35, Number of G-points: 301, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/30) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 30 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 0.949 ( 0.000 0.000 0.000) 0.000 1.202 ( 0.000 0.000 0.000) 0.000 1.245 ( 0.000 0.000 0.000) 0.000 1.455 ( 0.000 0.000 0.000) 0.000 1.508 ( 0.000 0.000 0.000) 0.000 1.532 ( 0.000 0.000 0.000) 0.000 1.596 ( 0.000 0.000 0.000) 0.000 1.612 ( 0.000 0.000 0.000) 0.000 1.703 ( 0.000 0.000 0.000) 0.000 1.704 ( 0.000 0.000 0.000) 0.000 1.802 ( 0.000 0.000 0.000) 0.000 1.823 ( 0.000 0.000 0.000) 0.000 1.897 ( 0.000 0.000 0.000) 0.000 1.916 ( 0.000 0.000 0.000) 0.000 2.038 ( 0.000 0.000 0.000) 0.000 2.044 ( 0.000 0.000 0.000) 0.000 2.092 ( 0.000 0.000 0.000) 0.000 2.117 ( 0.000 0.000 0.000) 0.000 2.136 ( 0.000 0.000 0.000) 0.000 2.147 ( 0.000 0.000 0.000) 0.000 2.189 ( 0.000 0.000 0.000) 0.000 2.270 ( 0.000 0.000 0.000) 0.000 2.332 ( 0.000 0.000 0.000) 0.000 2.342 ( 0.000 0.000 0.000) 0.000 2.355 ( 0.000 0.000 0.000) 0.000 2.426 ( 0.000 0.000 0.000) 0.000 2.430 ( 0.000 0.000 0.000) 0.000 2.472 ( 0.000 0.000 0.000) 0.000 2.504 ( 0.000 0.000 0.000) 0.000 2.505 ( 0.000 0.000 0.000) 0.000 2.517 ( 0.000 0.000 0.000) 0.000 2.544 ( 0.000 0.000 0.000) 0.000 2.581 ( 0.000 0.000 0.000) 0.000 2.598 ( 0.000 0.000 0.000) 0.000 2.614 ( 0.000 0.000 0.000) 0.000 2.662 ( 0.000 0.000 0.000) 0.000 2.719 ( 0.000 0.000 0.000) 0.000 2.768 ( 0.000 0.000 0.000) 0.000 2.782 ( 0.000 0.000 0.000) 0.000 2.820 ( 0.000 0.000 0.000) 0.000 2.837 ( 0.000 0.000 0.000) 0.000 2.934 ( 0.000 0.000 0.000) 0.000 2.959 ( 0.000 0.000 0.000) 0.000 2.970 ( 0.000 0.000 0.000) 0.000 3.012 ( 0.000 0.000 0.000) 0.000 3.255 ( 0.000 0.000 0.000) 0.000 3.323 ( 0.000 0.000 0.000) 0.000 3.392 ( 0.000 0.000 0.000) 0.000 3.409 ( 0.000 0.000 0.000) 0.000 3.686 ( 0.000 0.000 0.000) 0.000 3.768 ( 0.000 0.000 0.000) 0.000 3.774 ( 0.000 0.000 0.000) 0.000 3.796 ( 0.000 0.000 0.000) 0.000 3.846 ( 0.000 0.000 0.000) 0.000 3.892 ( 0.000 0.000 0.000) 0.000 3.955 ( 0.000 0.000 0.000) 0.000 4.000 ( 0.000 0.000 0.000) 0.000 4.038 ( 0.000 0.000 0.000) 0.000 4.060 ( 0.000 0.000 0.000) 0.000 4.081 ( 0.000 0.000 0.000) 0.000 4.096 ( 0.000 0.000 0.000) 0.000 4.123 ( 0.000 0.000 0.000) 0.000 4.175 ( 0.000 0.000 0.000) 0.000 4.185 ( 0.000 0.000 0.000) 0.000 4.258 ( 0.000 0.000 0.000) 0.000 4.274 ( 0.000 0.000 0.000) 0.000 4.274 ( 0.000 0.000 0.000) 0.000 4.360 ( 0.000 0.000 0.000) 0.000 4.392 ( 0.000 0.000 0.000) 0.000 4.428 ( 0.000 0.000 0.000) 0.000 4.462 ( 0.000 0.000 0.000) 0.000 4.505 ( 0.000 0.000 0.000) 0.000 4.527 ( 0.000 0.000 0.000) 0.000 4.595 ( 0.000 0.000 0.000) 0.000 4.625 ( 0.000 0.000 0.000) 0.000 4.636 ( 0.000 0.000 0.000) 0.000 4.652 ( 0.000 0.000 0.000) 0.000 4.678 ( 0.000 0.000 0.000) 0.000 4.729 ( 0.000 0.000 0.000) 0.000 4.810 ( 0.000 0.000 0.000) 0.000 4.818 ( 0.000 0.000 0.000) 0.000 4.833 ( 0.000 0.000 0.000) 0.000 4.875 ( 0.000 0.000 0.000) 0.000 4.914 ( 0.000 0.000 0.000) 0.000 4.946 ( 0.000 0.000 0.000) 0.000 4.953 ( 0.000 0.000 0.000) 0.000 5.009 ( 0.000 0.000 0.000) 0.000 5.023 ( 0.000 0.000 0.000) 0.000 5.030 ( 0.000 0.000 0.000) 0.000 5.049 ( 0.000 0.000 0.000) 0.000 5.085 ( 0.000 0.000 0.000) 0.000 5.130 ( 0.000 0.000 0.000) 0.000 5.155 ( 0.000 0.000 0.000) 0.000 5.195 ( 0.000 0.000 0.000) 0.000 5.259 ( 0.000 0.000 0.000) 0.000 5.278 ( 0.000 0.000 0.000) 0.000 5.348 ( 0.000 0.000 0.000) 0.000 5.398 ( 0.000 0.000 0.000) 0.000 5.415 ( 0.000 0.000 0.000) 0.000 5.422 ( 0.000 0.000 0.000) 0.000 5.589 ( 0.000 0.000 0.000) 0.000 5.605 ( 0.000 0.000 0.000) 0.000 5.688 ( 0.000 0.000 0.000) 0.000 5.713 ( 0.000 0.000 0.000) 0.000 5.738 ( 0.000 0.000 0.000) 0.000 5.774 ( 0.000 0.000 0.000) 0.000 5.778 ( 0.000 0.000 0.000) 0.000 5.819 ( 0.000 0.000 0.000) 0.000 5.900 ( 0.000 0.000 0.000) 0.000 6.016 ( 0.000 0.000 0.000) 0.000 6.106 ( 0.000 0.000 0.000) 0.000 6.109 ( 0.000 0.000 0.000) 0.000 6.171 ( 0.000 0.000 0.000) 0.000 6.180 ( 0.000 0.000 0.000) 0.000 6.228 ( 0.000 0.000 0.000) 0.000 6.302 ( 0.000 0.000 0.000) 0.000 6.396 ( 0.000 0.000 0.000) 0.000 6.426 ( 0.000 0.000 0.000) 0.000 6.464 ( 0.000 0.000 0.000) 0.000 6.495 ( 0.000 0.000 0.000) 0.000 6.521 ( 0.000 0.000 0.000) 0.000 6.576 ( 0.000 0.000 0.000) 0.000 6.646 ( 0.000 0.000 0.000) 0.000 6.672 ( 0.000 0.000 0.000) 0.000 6.738 ( 0.000 0.000 0.000) 0.000 6.872 ( 0.000 0.000 0.000) 0.000 6.873 ( 0.000 0.000 0.000) 0.000 6.882 ( 0.000 0.000 0.000) 0.000 6.918 ( 0.000 0.000 0.000) 0.000 6.923 ( 0.000 0.000 0.000) 0.000 6.926 ( 0.000 0.000 0.000) 0.000 7.013 ( 0.000 0.000 0.000) 0.000 7.077 ( 0.000 0.000 0.000) 0.000 7.170 ( 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 7.236 ( 0.000 0.000 0.000) 0.000 7.252 ( 0.000 0.000 0.000) 0.000 7.265 ( 0.000 0.000 0.000) 0.000 7.316 ( 0.000 0.000 0.000) 0.000 7.329 ( 0.000 0.000 0.000) 0.000 7.338 ( 0.000 0.000 0.000) 0.000 7.402 ( 0.000 0.000 0.000) 0.000 7.446 ( 0.000 0.000 0.000) 0.000 7.486 ( 0.000 0.000 0.000) 0.000 7.510 ( 0.000 0.000 0.000) 0.000 7.638 ( 0.000 0.000 0.000) 0.000 7.709 ( 0.000 0.000 0.000) 0.000 7.721 ( 0.000 0.000 0.000) 0.000 7.735 ( 0.000 0.000 0.000) 0.000 7.818 ( 0.000 0.000 0.000) 0.000 7.881 ( 0.000 0.000 0.000) 0.000 7.936 ( 0.000 0.000 0.000) 0.000 7.993 ( 0.000 0.000 0.000) 0.000 8.014 ( 0.000 0.000 0.000) 0.000 8.019 ( 0.000 0.000 0.000) 0.000 8.030 ( 0.000 0.000 0.000) 0.000 8.136 ( 0.000 0.000 0.000) 0.000 8.158 ( 0.000 0.000 0.000) 0.000 8.197 ( 0.000 0.000 0.000) 0.000 8.203 ( 0.000 0.000 0.000) 0.000 8.224 ( 0.000 0.000 0.000) 0.000 8.254 ( 0.000 0.000 0.000) 0.000 8.326 ( 0.000 0.000 0.000) 0.000 8.376 ( 0.000 0.000 0.000) 0.000 8.547 ( 0.000 0.000 0.000) 0.000 8.562 ( 0.000 0.000 0.000) 0.000 8.630 ( 0.000 0.000 0.000) 0.000 8.723 ( 0.000 0.000 0.000) 0.000 8.788 ( 0.000 0.000 0.000) 0.000 8.820 ( 0.000 0.000 0.000) 0.000 8.983 ( 0.000 0.000 0.000) 0.000 9.104 ( 0.000 0.000 0.000) 0.000 9.149 ( 0.000 0.000 0.000) 0.000 9.179 ( 0.000 0.000 0.000) 0.000 9.270 ( 0.000 0.000 0.000) 0.000 9.314 ( 0.000 0.000 0.000) 0.000 11.555 ( 0.000 0.000 0.000) 0.000 11.558 ( 0.000 0.000 0.000) 0.000 11.568 ( 0.000 0.000 0.000) 0.000 11.625 ( 0.000 0.000 0.000) 0.000 11.694 ( 0.000 0.000 0.000) 0.000 11.731 ( 0.000 0.000 0.000) 0.000 11.743 ( 0.000 0.000 0.000) 0.000 11.766 ( 0.000 0.000 0.000) 0.000 12.128 ( 0.000 0.000 0.000) 0.000 12.132 ( 0.000 0.000 0.000) 0.000 12.138 ( 0.000 0.000 0.000) 0.000 12.162 ( 0.000 0.000 0.000) 0.000 14.474 ( 0.000 0.000 0.000) 0.000 14.553 ( 0.000 0.000 0.000) 0.000 14.617 ( 0.000 0.000 0.000) 0.000 14.781 ( 0.000 0.000 0.000) 0.000 14.815 ( 0.000 0.000 0.000) 0.000 14.831 ( 0.000 0.000 0.000) 0.000 14.872 ( 0.000 0.000 0.000) 0.000 14.873 ( 0.000 0.000 0.000) 0.000 15.115 ( 0.000 0.000 0.000) 0.000 15.138 ( 0.000 0.000 0.000) 0.000 15.198 ( 0.000 0.000 0.000) 0.000 15.256 ( 0.000 0.000 0.000) 0.000 15.353 ( 0.000 0.000 0.000) 0.000 15.552 ( 0.000 0.000 0.000) 0.000 15.600 ( 0.000 0.000 0.000) 0.000 15.606 ( 0.000 0.000 0.000) 0.000 15.949 ( 0.000 0.000 0.000) 0.000 16.036 ( 0.000 0.000 0.000) 0.000 16.138 ( 0.000 0.000 0.000) 0.000 16.162 ( 0.000 0.000 0.000) 0.000 16.396 ( 0.000 0.000 0.000) 0.000 16.454 ( 0.000 0.000 0.000) 0.000 16.479 ( 0.000 0.000 0.000) 0.000 16.542 ( 0.000 0.000 0.000) 0.000 16.610 ( 0.000 0.000 0.000) 0.000 16.691 ( 0.000 0.000 0.000) 0.000 16.742 ( 0.000 0.000 0.000) 0.000 16.765 ( 0.000 0.000 0.000) 0.000 16.852 ( 0.000 0.000 0.000) 0.000 16.940 ( 0.000 0.000 0.000) 0.000 17.077 ( 0.000 0.000 0.000) 0.000 17.168 ( 0.000 0.000 0.000) 0.000 17.961 ( 0.000 0.000 0.000) 0.000 18.003 ( 0.000 0.000 0.000) 0.000 18.092 ( 0.000 0.000 0.000) 0.000 18.093 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/30) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 27 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.316 ( 16.719 0.000 3.695) 17.122 0.390 ( 19.085 0.000 6.324) 20.105 0.532 ( 24.145 0.000 12.618) 27.243 0.950 ( 2.958 0.000 -6.414) 7.063 1.212 ( 5.328 0.000 -8.331) 9.889 1.297 ( 1.076 0.000 5.281) 5.390 1.377 ( -6.698 0.000 -4.312) 7.966 1.408 ( -4.708 0.000 -1.013) 4.815 1.552 ( -4.069 0.000 -3.983) 5.694 1.616 ( -5.215 0.000 6.800) 8.570 1.618 ( 1.235 0.000 6.545) 6.661 1.664 ( -1.443 0.000 0.990) 1.751 1.690 ( -1.042 0.000 -2.449) 2.662 1.774 ( -4.559 0.000 3.409) 5.692 1.778 ( -3.106 0.000 -0.051) 3.106 1.855 ( -4.853 0.000 0.162) 4.855 1.907 ( 0.850 0.000 -0.075) 0.853 2.013 ( -1.490 0.000 -4.813) 5.038 2.040 ( 0.484 0.000 -0.500) 0.696 2.120 ( -3.396 0.000 -0.374) 3.417 2.130 ( -1.905 0.000 2.791) 3.379 2.135 ( 1.179 0.000 -3.102) 3.318 2.142 ( 3.349 0.000 2.360) 4.097 2.178 ( 2.249 0.000 -2.749) 3.551 2.249 ( -2.534 0.000 0.710) 2.632 2.297 ( -1.133 0.000 -3.567) 3.743 2.334 ( -3.429 0.000 0.804) 3.522 2.341 ( 0.601 0.000 -1.945) 2.036 2.379 ( -3.840 0.000 0.808) 3.924 2.422 ( -2.916 0.000 3.115) 4.267 2.446 ( -3.130 0.000 0.886) 3.253 2.466 ( -3.985 0.000 -0.516) 4.019 2.515 ( 2.745 0.000 2.019) 3.407 2.540 ( 1.317 0.000 -1.016) 1.664 2.570 ( -0.740 0.000 -0.908) 1.172 2.586 ( -2.027 0.000 -3.491) 4.037 2.615 ( 4.154 0.000 1.404) 4.384 2.647 ( 2.591 0.000 0.362) 2.616 2.685 ( 2.596 0.000 -0.433) 2.632 2.730 ( 2.763 0.000 1.646) 3.216 2.753 ( -1.364 0.000 -1.334) 1.908 2.818 ( -0.223 0.000 -1.508) 1.524 2.819 ( 1.529 0.000 -0.561) 1.629 2.887 ( 3.969 0.000 3.223) 5.112 2.924 ( -3.372 0.000 -1.327) 3.624 2.958 ( -1.514 0.000 -1.350) 2.028 2.975 ( 3.850 0.000 2.350) 4.511 3.058 ( 0.957 0.000 1.682) 1.935 3.247 ( -0.647 0.000 -1.201) 1.364 3.306 ( -1.691 0.000 0.236) 1.708 3.413 ( 0.331 0.000 -0.458) 0.565 3.442 ( 2.667 0.000 0.371) 2.693 3.678 ( -1.371 0.000 3.061) 3.354 3.734 ( -3.256 0.000 -0.205) 3.262 3.794 ( 1.848 0.000 1.487) 2.372 3.807 ( 1.441 0.000 1.914) 2.396 3.896 ( 2.065 0.000 1.634) 2.633 3.911 ( -2.120 0.000 -2.732) 3.458 3.925 ( 0.639 0.000 1.819) 1.928 4.002 ( -1.904 0.000 2.749) 3.344 4.014 ( -1.577 0.000 -0.553) 1.672 4.067 ( -3.058 0.000 1.205) 3.286 4.073 ( 1.149 0.000 0.081) 1.152 4.102 ( -1.268 0.000 -1.974) 2.346 4.139 ( 2.008 0.000 2.469) 3.183 4.169 ( -1.622 0.000 0.247) 1.640 4.242 ( -2.196 0.000 0.662) 2.293 4.272 ( -0.126 0.000 -0.335) 0.358 4.306 ( -3.455 0.000 2.382) 4.196 4.308 ( 2.968 0.000 0.477) 3.006 4.337 ( -1.851 0.000 1.833) 2.605 4.345 ( -3.858 0.000 -3.921) 5.501 4.424 ( -0.369 0.000 1.668) 1.708 4.456 ( 2.221 0.000 -0.341) 2.247 4.489 ( -0.743 0.000 -1.284) 1.483 4.564 ( -4.116 0.000 -3.682) 5.522 4.575 ( 0.399 0.000 1.231) 1.294 4.588 ( -0.433 0.000 0.381) 0.576 4.632 ( -1.699 0.000 0.061) 1.700 4.660 ( -2.491 0.000 2.151) 3.291 4.683 ( 3.943 0.000 0.606) 3.989 4.772 ( 0.272 0.000 1.183) 1.213 4.788 ( 1.994 0.000 0.643) 2.096 4.817 ( -0.232 0.000 0.439) 0.496 4.890 ( -0.512 0.000 -0.617) 0.802 4.906 ( -2.964 0.000 -2.550) 3.910 4.919 ( -2.097 0.000 0.064) 2.098 4.951 ( 2.986 0.000 -0.857) 3.107 4.986 ( -0.940 0.000 -1.781) 2.014 4.988 ( -1.930 0.000 0.779) 2.081 5.047 ( 0.668 0.000 -0.930) 1.146 5.050 ( 1.198 0.000 -2.943) 3.177 5.078 ( 1.439 0.000 0.265) 1.464 5.106 ( 0.191 0.000 -2.306) 2.313 5.128 ( -0.335 0.000 1.844) 1.874 5.141 ( -0.790 0.000 -1.327) 1.544 5.243 ( 2.048 0.000 0.596) 2.133 5.261 ( 0.692 0.000 -0.742) 1.014 5.303 ( 0.034 0.000 -3.053) 3.053 5.351 ( 0.240 0.000 -0.157) 0.287 5.411 ( 0.439 0.000 -1.682) 1.739 5.412 ( 0.756 0.000 1.325) 1.526 5.478 ( 1.369 0.000 3.794) 4.033 5.572 ( -1.439 0.000 -2.936) 3.270 5.620 ( 2.966 0.000 0.877) 3.093 5.653 ( -2.979 0.000 -2.935) 4.182 5.718 ( 0.655 0.000 4.813) 4.857 5.748 ( 0.870 0.000 -1.232) 1.508 5.788 ( 1.130 0.000 0.665) 1.311 5.803 ( 2.048 0.000 0.927) 2.248 5.870 ( 2.080 0.000 2.978) 3.633 5.919 ( 1.935 0.000 -1.440) 2.411 6.023 ( 1.668 0.000 -1.046) 1.969 6.112 ( 0.382 0.000 -0.644) 0.749 6.120 ( 1.413 0.000 1.503) 2.063 6.177 ( 1.001 0.000 -1.251) 1.602 6.177 ( -0.230 0.000 -0.119) 0.259 6.237 ( 1.402 0.000 -2.054) 2.487 6.303 ( 0.505 0.000 -1.731) 1.804 6.382 ( -1.879 0.000 2.938) 3.488 6.452 ( -0.893 0.000 5.336) 5.410 6.459 ( -1.921 0.000 2.827) 3.418 6.506 ( 1.461 0.000 -1.232) 1.911 6.525 ( 1.070 0.000 -4.830) 4.947 6.551 ( -0.480 0.000 -0.636) 0.797 6.642 ( 0.274 0.000 -2.434) 2.449 6.676 ( 0.839 0.000 -1.772) 1.960 6.710 ( -2.414 0.000 -0.345) 2.439 6.852 ( -1.303 0.000 -0.599) 1.434 6.873 ( -0.095 0.000 0.559) 0.567 6.892 ( -0.828 0.000 -0.684) 1.074 6.913 ( 1.255 0.000 2.481) 2.781 6.921 ( -0.483 0.000 0.764) 0.904 6.954 ( 1.570 0.000 -1.159) 1.952 7.001 ( -1.755 0.000 1.151) 2.099 7.064 ( -1.229 0.000 -0.542) 1.344 7.146 ( -2.035 0.000 2.092) 2.919 7.181 ( -3.111 0.000 -0.932) 3.248 7.231 ( 2.230 0.000 3.217) 3.914 7.243 ( -0.357 0.000 -1.584) 1.624 7.262 ( -1.516 0.000 -0.601) 1.631 7.273 ( 2.356 0.000 -1.742) 2.930 7.338 ( -0.771 0.000 -2.312) 2.437 7.353 ( 2.388 0.000 1.751) 2.962 7.367 ( 1.622 0.000 0.575) 1.721 7.418 ( 1.543 0.000 -0.409) 1.596 7.477 ( 1.744 0.000 0.253) 1.762 7.493 ( -0.185 0.000 2.970) 2.975 7.542 ( -1.640 0.000 1.592) 2.286 7.627 ( -0.633 0.000 -0.905) 1.104 7.708 ( -1.365 0.000 -1.248) 1.850 7.711 ( 0.262 0.000 0.438) 0.510 7.719 ( -1.808 0.000 2.722) 3.268 7.838 ( 1.546 0.000 -0.470) 1.616 7.865 ( -0.076 0.000 -1.072) 1.075 7.956 ( 2.484 0.000 -5.690) 6.208 7.992 ( -1.505 0.000 4.669) 4.906 8.012 ( -0.630 0.000 -1.225) 1.378 8.012 ( -0.421 0.000 -0.473) 0.633 8.118 ( -3.596 0.000 -0.528) 3.634 8.132 ( 0.268 0.000 -1.540) 1.564 8.204 ( -1.879 0.000 -0.974) 2.117 8.212 ( 0.533 0.000 1.651) 1.735 8.219 ( 0.662 0.000 0.995) 1.195 8.220 ( 0.223 0.000 3.750) 3.757 8.303 ( -1.108 0.000 -4.355) 4.494 8.333 ( -0.791 0.000 -1.055) 1.318 8.424 ( 1.339 0.000 1.918) 2.339 8.531 ( -0.718 0.000 -1.240) 1.433 8.554 ( 1.111 0.000 -1.401) 1.788 8.680 ( 3.130 0.000 -3.110) 4.413 8.767 ( 1.613 0.000 1.832) 2.441 8.800 ( -2.238 0.000 1.474) 2.680 8.836 ( 0.516 0.000 -4.840) 4.868 9.017 ( 2.839 0.000 1.202) 3.083 9.116 ( -2.004 0.000 -0.887) 2.192 9.195 ( -2.399 0.000 2.557) 3.506 9.212 ( 3.639 0.000 -2.394) 4.356 9.291 ( 1.666 0.000 0.725) 1.817 9.319 ( -0.108 0.000 1.135) 1.140 11.532 ( -1.692 0.000 -0.791) 1.868 11.532 ( -2.002 0.000 1.018) 2.246 11.596 ( 1.996 0.000 -0.433) 2.042 11.639 ( 1.022 0.000 0.311) 1.068 11.699 ( 0.228 0.000 0.448) 0.503 11.721 ( -0.186 0.000 -0.264) 0.323 11.770 ( 1.646 0.000 0.046) 1.647 11.774 ( 0.977 0.000 -0.402) 1.056 12.132 ( 0.045 0.000 0.097) 0.107 12.133 ( 0.363 0.000 0.241) 0.436 12.138 ( 0.177 0.000 -0.445) 0.479 12.166 ( 0.338 0.000 0.172) 0.379 14.494 ( 2.047 0.000 0.638) 2.144 14.557 ( 0.870 0.000 -1.282) 1.549 14.675 ( 1.978 0.000 -0.365) 2.011 14.751 ( -2.297 0.000 -1.163) 2.575 14.838 ( 0.774 0.000 -3.956) 4.031 14.852 ( 1.415 0.000 0.476) 1.493 14.879 ( 0.920 0.000 -1.363) 1.645 14.880 ( 1.116 0.000 -0.372) 1.176 15.118 ( 0.291 0.000 0.392) 0.488 15.147 ( 0.383 0.000 1.619) 1.663 15.198 ( 0.149 0.000 -0.483) 0.506 15.250 ( -0.307 0.000 -1.477) 1.508 15.529 ( -2.435 0.000 0.033) 2.435 15.553 ( -5.458 0.000 11.192) 12.452 15.600 ( -0.774 0.000 1.655) 1.827 15.601 ( -0.464 0.000 -0.258) 0.531 15.951 ( 0.146 0.000 0.131) 0.197 16.038 ( 0.137 0.000 0.025) 0.139 16.167 ( 0.896 0.000 -1.278) 1.560 16.277 ( -3.069 0.000 5.968) 6.711 16.397 ( 0.080 0.000 -0.191) 0.207 16.457 ( 0.413 0.000 -0.224) 0.470 16.490 ( 1.832 0.000 -3.207) 3.693 16.547 ( 0.440 0.000 0.706) 0.832 16.612 ( 0.369 0.000 -0.585) 0.692 16.704 ( -2.546 0.000 0.379) 2.574 16.722 ( -0.627 0.000 0.922) 1.115 16.789 ( 0.456 0.000 -0.146) 0.479 16.854 ( 0.295 0.000 0.941) 0.986 16.931 ( -0.692 0.000 -0.561) 0.891 17.161 ( -0.384 0.000 -1.059) 1.126 17.271 ( 0.141 0.000 -4.020) 4.022 17.967 ( 0.696 0.000 0.029) 0.697 18.074 ( -1.089 0.000 -1.197) 1.618 18.093 ( 0.083 0.000 -0.561) 0.567 18.140 ( 1.506 0.000 -1.634) 2.222 ======================= Grid point 2 (3/30) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.617 ( 16.179 0.000 1.925) 16.293 0.699 ( 11.785 0.000 2.496) 12.046 0.944 ( 13.625 0.000 8.767) 16.202 0.986 ( 6.551 0.000 -4.801) 8.122 1.164 ( -10.992 0.000 -1.571) 11.104 1.302 ( 10.329 0.000 -8.490) 13.370 1.306 ( -5.096 0.000 -3.464) 6.162 1.409 ( 4.964 0.000 4.173) 6.485 1.433 ( -5.785 0.000 0.567) 5.812 1.526 ( -6.399 0.000 0.113) 6.400 1.598 ( -5.767 0.000 0.132) 5.769 1.636 ( -4.664 0.000 1.834) 5.012 1.642 ( -5.296 0.000 4.327) 6.839 1.696 ( -6.323 0.000 1.344) 6.465 1.779 ( 0.843 0.000 5.813) 5.874 1.843 ( 4.256 0.000 -0.231) 4.262 1.909 ( -1.656 0.000 -0.880) 1.875 1.957 ( -0.188 0.000 -4.021) 4.026 2.047 ( -1.199 0.000 -4.457) 4.615 2.048 ( -0.244 0.000 1.498) 1.517 2.102 ( -3.747 0.000 3.982) 5.468 2.134 ( 1.722 0.000 -5.261) 5.535 2.214 ( 0.008 0.000 1.210) 1.210 2.218 ( 2.359 0.000 0.298) 2.378 2.219 ( 0.982 0.000 3.239) 3.385 2.239 ( -6.343 0.000 1.901) 6.622 2.268 ( 0.665 0.000 -4.004) 4.059 2.315 ( -2.744 0.000 -0.043) 2.744 2.347 ( 0.521 0.000 -1.578) 1.662 2.409 ( -0.816 0.000 -0.157) 0.831 2.415 ( -0.415 0.000 -0.379) 0.562 2.418 ( -1.629 0.000 1.900) 2.503 2.491 ( -5.393 0.000 -6.057) 8.110 2.516 ( -4.349 0.000 0.211) 4.354 2.540 ( -0.591 0.000 -1.397) 1.517 2.581 ( 1.132 0.000 4.795) 4.926 2.647 ( 2.375 0.000 -0.584) 2.446 2.695 ( -2.392 0.000 -0.978) 2.584 2.715 ( 3.665 0.000 -2.246) 4.299 2.727 ( 1.615 0.000 -1.369) 2.118 2.798 ( 0.269 0.000 0.856) 0.897 2.809 ( -1.497 0.000 -0.059) 1.498 2.849 ( 6.333 0.000 -0.978) 6.408 2.911 ( 3.417 0.000 -4.259) 5.461 2.944 ( 0.365 0.000 4.011) 4.028 2.945 ( -1.143 0.000 3.216) 3.413 3.072 ( -0.338 0.000 0.876) 0.939 3.082 ( 5.688 0.000 1.300) 5.835 3.215 ( -1.983 0.000 -1.025) 2.232 3.276 ( -1.924 0.000 0.484) 1.984 3.396 ( -2.297 0.000 0.163) 2.303 3.481 ( 1.206 0.000 0.836) 1.468 3.684 ( -1.812 0.000 -1.064) 2.101 3.707 ( 2.358 0.000 3.510) 4.228 3.821 ( -0.031 0.000 -0.517) 0.518 3.865 ( 3.449 0.000 2.303) 4.147 3.892 ( 1.418 0.000 1.096) 1.792 3.898 ( -1.916 0.000 1.935) 2.723 3.965 ( 2.956 0.000 -0.447) 2.989 3.986 ( -1.596 0.000 0.444) 1.657 4.002 ( -0.213 0.000 -1.715) 1.728 4.008 ( -3.303 0.000 -1.159) 3.500 4.078 ( -0.122 0.000 -0.416) 0.433 4.086 ( 0.443 0.000 -0.458) 0.638 4.111 ( -5.104 0.000 -0.786) 5.165 4.133 ( -1.807 0.000 0.048) 1.808 4.220 ( -5.318 0.000 -1.508) 5.528 4.233 ( -0.200 0.000 2.201) 2.210 4.268 ( -0.535 0.000 2.685) 2.738 4.283 ( -2.534 0.000 -0.249) 2.546 4.347 ( 2.103 0.000 2.243) 3.075 4.371 ( 1.991 0.000 0.645) 2.093 4.431 ( -0.310 0.000 1.289) 1.325 4.446 ( -3.616 0.000 -6.366) 7.321 4.484 ( 0.013 0.000 -1.392) 1.392 4.500 ( 3.004 0.000 -0.902) 3.136 4.572 ( -4.167 0.000 2.154) 4.691 4.573 ( -0.712 0.000 1.875) 2.006 4.604 ( 0.932 0.000 -1.103) 1.444 4.630 ( -2.379 0.000 1.534) 2.830 4.750 ( 3.176 0.000 -2.333) 3.941 4.774 ( 1.158 0.000 -1.405) 1.821 4.819 ( -0.266 0.000 1.100) 1.132 4.845 ( 1.339 0.000 2.715) 3.027 4.857 ( -0.805 0.000 -0.105) 0.812 4.862 ( -0.502 0.000 -2.321) 2.375 4.893 ( -1.389 0.000 1.343) 1.932 4.948 ( -2.067 0.000 0.785) 2.211 4.970 ( -0.802 0.000 0.385) 0.890 4.987 ( -0.266 0.000 0.172) 0.317 5.027 ( -0.407 0.000 -4.019) 4.039 5.059 ( 0.873 0.000 0.156) 0.887 5.081 ( -0.972 0.000 -0.511) 1.099 5.091 ( -0.170 0.000 -0.050) 0.177 5.137 ( 1.027 0.000 -0.996) 1.431 5.172 ( 3.326 0.000 2.333) 4.062 5.246 ( -0.214 0.000 -1.616) 1.630 5.279 ( 1.739 0.000 -0.291) 1.764 5.289 ( -0.168 0.000 -3.463) 3.467 5.347 ( -0.206 0.000 -1.190) 1.207 5.423 ( -0.841 0.000 1.018) 1.320 5.423 ( 0.637 0.000 1.929) 2.031 5.520 ( 0.622 0.000 3.335) 3.393 5.541 ( -0.299 0.000 -1.197) 1.234 5.592 ( -1.753 0.000 -2.939) 3.422 5.689 ( 3.714 0.000 1.142) 3.885 5.760 ( 0.628 0.000 4.357) 4.402 5.766 ( 1.952 0.000 -0.754) 2.092 5.809 ( 0.202 0.000 0.947) 0.968 5.843 ( 1.868 0.000 -0.053) 1.869 5.890 ( -1.193 0.000 1.689) 2.068 5.920 ( 0.686 0.000 -4.446) 4.498 6.063 ( 3.439 0.000 -2.861) 4.473 6.113 ( -1.770 0.000 3.904) 4.286 6.164 ( 1.079 0.000 1.975) 2.250 6.186 ( 2.449 0.000 -0.081) 2.451 6.194 ( 2.279 0.000 -0.506) 2.335 6.258 ( 2.271 0.000 -1.670) 2.819 6.286 ( -1.028 0.000 -1.993) 2.243 6.361 ( -2.780 0.000 1.089) 2.986 6.439 ( -4.054 0.000 5.426) 6.773 6.457 ( 0.116 0.000 2.408) 2.411 6.474 ( -1.158 0.000 -4.466) 4.613 6.515 ( 0.443 0.000 -1.969) 2.018 6.600 ( 3.757 0.000 0.347) 3.773 6.640 ( 0.193 0.000 -1.672) 1.683 6.672 ( 0.624 0.000 -2.738) 2.809 6.681 ( -0.048 0.000 0.898) 0.899 6.826 ( -1.507 0.000 -0.203) 1.520 6.856 ( -0.924 0.000 0.095) 0.928 6.895 ( 0.227 0.000 -0.729) 0.763 6.914 ( -0.809 0.000 0.557) 0.982 6.958 ( 0.112 0.000 -0.864) 0.871 6.963 ( 1.851 0.000 3.335) 3.814 6.986 ( -0.740 0.000 2.332) 2.447 7.038 ( -1.375 0.000 -0.004) 1.375 7.114 ( -3.202 0.000 -2.102) 3.830 7.122 ( -2.305 0.000 2.380) 3.313 7.194 ( -2.294 0.000 -3.705) 4.358 7.234 ( 0.162 0.000 -0.812) 0.828 7.285 ( 0.555 0.000 -1.916) 1.995 7.315 ( 1.729 0.000 2.584) 3.109 7.324 ( 1.248 0.000 0.084) 1.251 7.400 ( 1.527 0.000 -0.518) 1.612 7.405 ( 2.209 0.000 1.418) 2.625 7.434 ( 0.698 0.000 -0.956) 1.183 7.483 ( -0.439 0.000 -0.741) 0.861 7.514 ( -0.154 0.000 3.412) 3.416 7.542 ( 0.112 0.000 1.272) 1.277 7.615 ( 0.283 0.000 -1.462) 1.490 7.677 ( -0.878 0.000 -1.117) 1.421 7.723 ( 0.375 0.000 2.646) 2.672 7.732 ( 1.479 0.000 1.251) 1.937 7.840 ( -1.276 0.000 -0.225) 1.296 7.873 ( 1.477 0.000 -1.541) 2.135 7.930 ( -3.484 0.000 -2.776) 4.455 7.952 ( -1.821 0.000 0.273) 1.841 8.007 ( -0.046 0.000 1.253) 1.254 8.009 ( 0.449 0.000 -0.411) 0.609 8.098 ( 1.342 0.000 -0.432) 1.410 8.126 ( 0.092 0.000 -1.193) 1.196 8.153 ( -2.341 0.000 -0.908) 2.511 8.220 ( -1.380 0.000 0.190) 1.393 8.229 ( -1.717 0.000 2.611) 3.126 8.254 ( 0.518 0.000 4.346) 4.377 8.288 ( -0.451 0.000 -4.272) 4.296 8.300 ( 2.100 0.000 -1.259) 2.449 8.448 ( 0.405 0.000 1.221) 1.286 8.538 ( 1.206 0.000 -0.281) 1.238 8.559 ( 0.648 0.000 -1.662) 1.784 8.709 ( 0.879 0.000 0.778) 1.174 8.743 ( -3.403 0.000 2.318) 4.117 8.795 ( -0.538 0.000 -0.533) 0.757 8.821 ( 0.510 0.000 -2.361) 2.416 9.074 ( 2.527 0.000 1.103) 2.757 9.092 ( -0.170 0.000 -0.770) 0.788 9.172 ( -1.353 0.000 0.294) 1.384 9.260 ( 3.294 0.000 -1.877) 3.791 9.318 ( -0.947 0.000 1.159) 1.497 9.324 ( 1.420 0.000 0.371) 1.468 11.501 ( -1.213 0.000 -0.521) 1.320 11.509 ( -1.290 0.000 0.640) 1.440 11.623 ( 1.266 0.000 -0.136) 1.273 11.655 ( 0.621 0.000 0.037) 0.622 11.704 ( 0.124 0.000 0.282) 0.309 11.724 ( 0.409 0.000 -0.001) 0.409 11.790 ( 0.956 0.000 -0.259) 0.991 11.794 ( 1.063 0.000 -0.050) 1.064 12.134 ( 0.059 0.000 0.213) 0.221 12.138 ( 0.170 0.000 -0.551) 0.577 12.141 ( 0.329 0.000 0.217) 0.394 12.174 ( 0.350 0.000 0.177) 0.392 14.547 ( 3.205 0.000 1.117) 3.394 14.565 ( 0.904 0.000 -1.125) 1.443 14.696 ( -2.944 0.000 -1.492) 3.300 14.710 ( 1.452 0.000 1.318) 1.961 14.825 ( -0.107 0.000 -1.267) 1.271 14.873 ( 0.592 0.000 0.665) 0.890 14.882 ( 0.410 0.000 -1.126) 1.199 14.902 ( 1.468 0.000 -0.537) 1.563 15.131 ( 0.696 0.000 0.787) 1.051 15.168 ( 0.350 0.000 2.392) 2.417 15.196 ( 0.283 0.000 -1.138) 1.173 15.229 ( -0.906 0.000 -1.491) 1.745 15.483 ( -2.337 0.000 -0.310) 2.358 15.537 ( -1.962 0.000 3.602) 4.102 15.589 ( -0.514 0.000 -0.323) 0.607 15.593 ( -0.849 0.000 0.636) 1.060 15.955 ( 0.155 0.000 0.135) 0.206 16.040 ( 0.132 0.000 -0.016) 0.133 16.172 ( 0.578 0.000 -1.229) 1.358 16.262 ( -1.462 0.000 1.779) 2.303 16.395 ( -0.040 0.000 -0.300) 0.302 16.463 ( 0.421 0.000 -0.162) 0.451 16.501 ( 0.964 0.000 -0.949) 1.353 16.570 ( 1.328 0.000 1.071) 1.706 16.614 ( 0.390 0.000 -0.717) 0.816 16.673 ( -1.444 0.000 0.494) 1.526 16.717 ( -0.666 0.000 0.954) 1.164 16.769 ( -1.680 0.000 -0.936) 1.923 16.876 ( 0.862 0.000 1.338) 1.592 16.915 ( -0.617 0.000 -0.553) 0.829 17.147 ( -0.387 0.000 -0.876) 0.958 17.244 ( -1.006 0.000 -1.233) 1.591 17.983 ( 0.873 0.000 0.354) 0.942 18.050 ( -0.833 0.000 -0.716) 1.099 18.089 ( -0.015 0.000 -0.733) 0.733 18.151 ( 0.582 0.000 -0.381) 0.695 ======================= Grid point 3 (4/30) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 15 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( 0.000 0.000 0.000) 0.000 0.861 ( -0.000 0.000 -0.000) 0.000 0.931 ( 0.000 0.000 0.000) 0.000 1.083 ( 0.000 0.000 -0.000) 0.000 1.129 ( 0.000 0.000 0.000) 0.000 1.210 ( 0.000 0.000 0.000) 0.000 1.397 ( 0.000 0.000 0.000) 0.000 1.420 ( 0.000 0.000 0.000) 0.000 1.432 ( -0.000 0.000 -0.000) 0.000 1.503 ( 0.000 0.000 -0.000) 0.000 1.526 ( 0.000 0.000 0.000) 0.000 1.570 ( -0.000 0.000 -0.000) 0.000 1.586 ( 0.000 0.000 0.000) 0.000 1.630 ( 0.000 0.000 0.000) 0.000 1.841 ( -0.000 0.000 -0.000) 0.000 1.847 ( 0.000 0.000 0.000) 0.000 1.909 ( 0.000 0.000 0.000) 0.000 1.952 ( 0.000 0.000 0.000) 0.000 2.028 ( 0.000 0.000 0.000) 0.000 2.046 ( 0.000 0.000 0.000) 0.000 2.077 ( 0.000 0.000 -0.000) 0.000 2.124 ( 0.000 0.000 0.000) 0.000 2.173 ( 0.000 0.000 -0.000) 0.000 2.206 ( 0.000 0.000 0.000) 0.000 2.242 ( 0.000 0.000 0.000) 0.000 2.261 ( 0.000 0.000 -0.000) 0.000 2.292 ( -0.000 0.000 0.000) 0.000 2.319 ( -0.000 0.000 -0.000) 0.000 2.343 ( 0.000 0.000 0.000) 0.000 2.344 ( 0.000 0.000 -0.000) 0.000 2.394 ( 0.000 0.000 0.000) 0.000 2.425 ( -0.000 0.000 0.000) 0.000 2.431 ( 0.000 0.000 0.000) 0.000 2.460 ( 0.000 0.000 -0.000) 0.000 2.523 ( 0.000 0.000 0.000) 0.000 2.601 ( 0.000 0.000 0.000) 0.000 2.667 ( 0.000 0.000 0.000) 0.000 2.700 ( 0.000 0.000 0.000) 0.000 2.707 ( -0.000 0.000 -0.000) 0.000 2.734 ( 0.000 0.000 0.000) 0.000 2.801 ( 0.000 0.000 0.000) 0.000 2.813 ( 0.000 0.000 0.000) 0.000 2.912 ( -0.000 0.000 0.000) 0.000 2.936 ( -0.000 0.000 0.000) 0.000 2.943 ( 0.000 0.000 -0.000) 0.000 2.959 ( 0.000 0.000 0.000) 0.000 3.068 ( 0.000 0.000 0.000) 0.000 3.143 ( 0.000 0.000 0.000) 0.000 3.187 ( 0.000 0.000 0.000) 0.000 3.258 ( 0.000 0.000 0.000) 0.000 3.367 ( 0.000 0.000 0.000) 0.000 3.494 ( 0.000 0.000 -0.000) 0.000 3.665 ( 0.000 0.000 0.000) 0.000 3.767 ( -0.000 0.000 -0.000) 0.000 3.801 ( 0.000 0.000 0.000) 0.000 3.885 ( 0.000 0.000 -0.000) 0.000 3.926 ( 0.000 0.000 0.000) 0.000 3.930 ( -0.000 0.000 0.000) 0.000 3.962 ( 0.000 0.000 0.000) 0.000 3.977 ( 0.000 0.000 0.000) 0.000 3.983 ( 0.000 0.000 0.000) 0.000 3.996 ( 0.000 0.000 0.000) 0.000 4.035 ( 0.000 0.000 0.000) 0.000 4.055 ( 0.000 0.000 0.000) 0.000 4.109 ( 0.000 0.000 0.000) 0.000 4.123 ( -0.000 0.000 -0.000) 0.000 4.149 ( 0.000 0.000 0.000) 0.000 4.240 ( 0.000 0.000 0.000) 0.000 4.257 ( 0.000 0.000 0.000) 0.000 4.290 ( 0.000 0.000 -0.000) 0.000 4.352 ( 0.000 0.000 0.000) 0.000 4.382 ( 0.000 0.000 0.000) 0.000 4.405 ( 0.000 0.000 0.000) 0.000 4.431 ( 0.000 0.000 0.000) 0.000 4.502 ( 0.000 0.000 0.000) 0.000 4.516 ( 0.000 0.000 0.000) 0.000 4.528 ( 0.000 0.000 -0.000) 0.000 4.578 ( 0.000 0.000 0.000) 0.000 4.609 ( 0.000 0.000 0.000) 0.000 4.614 ( 0.000 0.000 0.000) 0.000 4.762 ( 0.000 0.000 0.000) 0.000 4.782 ( 0.000 0.000 0.000) 0.000 4.818 ( 0.000 0.000 0.000) 0.000 4.862 ( -0.000 0.000 0.000) 0.000 4.864 ( -0.000 0.000 0.000) 0.000 4.864 ( 0.000 0.000 -0.000) 0.000 4.874 ( -0.000 0.000 -0.000) 0.000 4.928 ( 0.000 0.000 0.000) 0.000 4.959 ( 0.000 0.000 0.000) 0.000 4.985 ( 0.000 0.000 0.000) 0.000 5.005 ( 0.000 0.000 -0.000) 0.000 5.069 ( 0.000 0.000 -0.000) 0.000 5.073 ( -0.000 0.000 0.000) 0.000 5.093 ( 0.000 0.000 0.000) 0.000 5.143 ( 0.000 0.000 -0.000) 0.000 5.220 ( 0.000 0.000 -0.000) 0.000 5.243 ( 0.000 0.000 0.000) 0.000 5.262 ( -0.000 0.000 0.000) 0.000 5.295 ( 0.000 0.000 0.000) 0.000 5.344 ( 0.000 0.000 0.000) 0.000 5.408 ( 0.000 0.000 0.000) 0.000 5.436 ( 0.000 0.000 0.000) 0.000 5.538 ( 0.000 0.000 0.000) 0.000 5.546 ( 0.000 0.000 0.000) 0.000 5.559 ( 0.000 0.000 0.000) 0.000 5.735 ( 0.000 0.000 0.000) 0.000 5.784 ( 0.000 0.000 0.000) 0.000 5.787 ( 0.000 0.000 0.000) 0.000 5.807 ( 0.000 0.000 0.000) 0.000 5.856 ( 0.000 0.000 0.000) 0.000 5.882 ( 0.000 0.000 0.000) 0.000 5.907 ( 0.000 0.000 0.000) 0.000 6.083 ( -0.000 0.000 0.000) 0.000 6.102 ( 0.000 0.000 -0.000) 0.000 6.176 ( 0.000 0.000 -0.000) 0.000 6.229 ( 0.000 0.000 0.000) 0.000 6.243 ( 0.000 0.000 0.000) 0.000 6.254 ( 0.000 0.000 0.000) 0.000 6.279 ( 0.000 0.000 0.000) 0.000 6.312 ( 0.000 0.000 0.000) 0.000 6.422 ( 0.000 0.000 0.000) 0.000 6.445 ( 0.000 0.000 0.000) 0.000 6.483 ( 0.000 0.000 0.000) 0.000 6.498 ( 0.000 0.000 0.000) 0.000 6.629 ( 0.000 0.000 0.000) 0.000 6.636 ( 0.000 0.000 0.000) 0.000 6.670 ( 0.000 0.000 0.000) 0.000 6.700 ( 0.000 0.000 0.000) 0.000 6.806 ( 0.000 0.000 0.000) 0.000 6.852 ( 0.000 0.000 0.000) 0.000 6.886 ( 0.000 0.000 0.000) 0.000 6.908 ( 0.000 0.000 0.000) 0.000 6.955 ( 0.000 0.000 0.000) 0.000 6.992 ( 0.000 0.000 0.000) 0.000 7.005 ( 0.000 0.000 0.000) 0.000 7.025 ( 0.000 0.000 0.000) 0.000 7.066 ( 0.000 0.000 -0.000) 0.000 7.109 ( 0.000 0.000 0.000) 0.000 7.157 ( 0.000 0.000 0.000) 0.000 7.234 ( 0.000 0.000 0.000) 0.000 7.279 ( 0.000 0.000 0.000) 0.000 7.320 ( 0.000 0.000 -0.000) 0.000 7.360 ( 0.000 0.000 0.000) 0.000 7.409 ( 0.000 0.000 -0.000) 0.000 7.432 ( 0.000 0.000 -0.000) 0.000 7.435 ( -0.000 0.000 0.000) 0.000 7.474 ( 0.000 0.000 0.000) 0.000 7.525 ( 0.000 0.000 0.000) 0.000 7.547 ( 0.000 0.000 0.000) 0.000 7.614 ( 0.000 0.000 0.000) 0.000 7.666 ( 0.000 0.000 0.000) 0.000 7.749 ( 0.000 0.000 0.000) 0.000 7.758 ( 0.000 0.000 0.000) 0.000 7.814 ( 0.000 0.000 -0.000) 0.000 7.860 ( 0.000 0.000 0.000) 0.000 7.895 ( 0.000 0.000 0.000) 0.000 7.941 ( 0.000 0.000 -0.000) 0.000 8.011 ( 0.000 0.000 0.000) 0.000 8.014 ( 0.000 0.000 0.000) 0.000 8.118 ( 0.000 0.000 0.000) 0.000 8.126 ( 0.000 0.000 -0.000) 0.000 8.133 ( 0.000 0.000 0.000) 0.000 8.179 ( 0.000 0.000 0.000) 0.000 8.221 ( 0.000 0.000 0.000) 0.000 8.273 ( 0.000 0.000 -0.000) 0.000 8.282 ( 0.000 0.000 0.000) 0.000 8.318 ( 0.000 0.000 0.000) 0.000 8.456 ( 0.000 0.000 0.000) 0.000 8.549 ( 0.000 0.000 0.000) 0.000 8.558 ( 0.000 0.000 0.000) 0.000 8.719 ( 0.000 0.000 0.000) 0.000 8.719 ( 0.000 0.000 0.000) 0.000 8.782 ( 0.000 0.000 0.000) 0.000 8.819 ( 0.000 0.000 0.000) 0.000 9.090 ( 0.000 0.000 0.000) 0.000 9.103 ( 0.000 0.000 0.000) 0.000 9.159 ( 0.000 0.000 0.000) 0.000 9.289 ( 0.000 0.000 0.000) 0.000 9.306 ( 0.000 0.000 0.000) 0.000 9.338 ( 0.000 0.000 0.000) 0.000 11.488 ( 0.000 0.000 0.000) 0.000 11.500 ( 0.000 0.000 0.000) 0.000 11.634 ( 0.000 0.000 0.000) 0.000 11.661 ( 0.000 0.000 0.000) 0.000 11.706 ( 0.000 0.000 0.000) 0.000 11.728 ( 0.000 0.000 0.000) 0.000 11.798 ( 0.000 0.000 0.000) 0.000 11.803 ( 0.000 0.000 0.000) 0.000 12.136 ( 0.000 0.000 0.000) 0.000 12.137 ( 0.000 0.000 -0.000) 0.000 12.145 ( 0.000 0.000 0.000) 0.000 12.178 ( 0.000 0.000 0.000) 0.000 14.569 ( 0.000 0.000 0.000) 0.000 14.597 ( 0.000 0.000 0.000) 0.000 14.648 ( 0.000 0.000 0.000) 0.000 14.729 ( 0.000 0.000 -0.000) 0.000 14.820 ( 0.000 0.000 0.000) 0.000 14.880 ( 0.000 0.000 0.000) 0.000 14.881 ( 0.000 0.000 0.000) 0.000 14.914 ( 0.000 0.000 -0.000) 0.000 15.143 ( 0.000 0.000 0.000) 0.000 15.182 ( 0.000 0.000 0.000) 0.000 15.193 ( 0.000 0.000 -0.000) 0.000 15.212 ( 0.000 0.000 0.000) 0.000 15.459 ( 0.000 0.000 0.000) 0.000 15.533 ( 0.000 0.000 0.000) 0.000 15.583 ( 0.000 0.000 0.000) 0.000 15.586 ( 0.000 0.000 -0.000) 0.000 15.957 ( 0.000 0.000 0.000) 0.000 16.041 ( 0.000 0.000 0.000) 0.000 16.172 ( 0.000 0.000 0.000) 0.000 16.255 ( 0.000 0.000 0.000) 0.000 16.393 ( 0.000 0.000 0.000) 0.000 16.467 ( 0.000 0.000 0.000) 0.000 16.507 ( 0.000 0.000 0.000) 0.000 16.590 ( 0.000 0.000 0.000) 0.000 16.615 ( 0.000 0.000 0.000) 0.000 16.662 ( 0.000 0.000 0.000) 0.000 16.714 ( 0.000 0.000 0.000) 0.000 16.746 ( 0.000 0.000 0.000) 0.000 16.889 ( 0.000 0.000 0.000) 0.000 16.907 ( 0.000 0.000 0.000) 0.000 17.140 ( 0.000 0.000 -0.000) 0.000 17.230 ( 0.000 0.000 0.000) 0.000 17.994 ( 0.000 0.000 0.000) 0.000 18.040 ( 0.000 0.000 0.000) 0.000 18.085 ( 0.000 0.000 0.000) 0.000 18.155 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 7 (5/30) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.362 ( 0.000 19.347 0.000) 19.347 0.469 ( 0.000 25.061 0.000) 25.061 0.662 ( 0.000 33.282 0.000) 33.282 0.994 ( 0.000 4.612 0.000) 4.612 1.232 ( 0.000 3.388 0.000) 3.388 1.242 ( 0.000 -0.817 0.000) 0.817 1.361 ( 0.000 -9.852 0.000) 9.852 1.465 ( 0.000 -6.639 0.000) 6.639 1.495 ( 0.000 -0.978 0.000) 0.978 1.557 ( 0.000 -3.960 0.000) 3.960 1.599 ( 0.000 -1.088 0.000) 1.088 1.658 ( 0.000 -2.284 0.000) 2.284 1.718 ( 0.000 -3.352 0.000) 3.352 1.718 ( 0.000 -3.323 0.000) 3.323 1.856 ( 0.000 0.364 0.000) 0.364 1.894 ( 0.000 -7.888 0.000) 7.888 1.979 ( 0.000 5.640 0.000) 5.640 1.985 ( 0.000 1.151 0.000) 1.151 2.020 ( 0.000 2.933 0.000) 2.933 2.097 ( 0.000 -5.359 0.000) 5.359 2.120 ( 0.000 0.526 0.000) 0.526 2.162 ( 0.000 2.977 0.000) 2.977 2.178 ( 0.000 -1.358 0.000) 1.358 2.209 ( 0.000 0.886 0.000) 0.886 2.247 ( 0.000 -1.603 0.000) 1.603 2.268 ( 0.000 -0.508 0.000) 0.508 2.350 ( 0.000 -0.925 0.000) 0.925 2.367 ( 0.000 0.660 0.000) 0.660 2.401 ( 0.000 -4.108 0.000) 4.108 2.433 ( 0.000 -0.869 0.000) 0.869 2.460 ( 0.000 -0.127 0.000) 0.127 2.486 ( 0.000 -1.460 0.000) 1.460 2.507 ( 0.000 2.430 0.000) 2.430 2.522 ( 0.000 -0.099 0.000) 0.099 2.564 ( 0.000 -0.353 0.000) 0.353 2.580 ( 0.000 -0.486 0.000) 0.486 2.594 ( 0.000 -2.189 0.000) 2.189 2.623 ( 0.000 1.386 0.000) 1.386 2.695 ( 0.000 -2.538 0.000) 2.538 2.696 ( 0.000 3.189 0.000) 3.189 2.796 ( 0.000 2.143 0.000) 2.143 2.799 ( 0.000 1.724 0.000) 1.724 2.812 ( 0.000 0.180 0.000) 0.180 2.904 ( 0.000 0.065 0.000) 0.065 2.948 ( 0.000 4.218 0.000) 4.218 2.973 ( 0.000 0.738 0.000) 0.738 2.981 ( 0.000 -2.738 0.000) 2.738 3.030 ( 0.000 3.592 0.000) 3.592 3.271 ( 0.000 1.170 0.000) 1.170 3.354 ( 0.000 3.409 0.000) 3.409 3.380 ( 0.000 -0.897 0.000) 0.897 3.441 ( 0.000 2.290 0.000) 2.290 3.689 ( 0.000 0.411 0.000) 0.411 3.753 ( 0.000 -1.956 0.000) 1.956 3.801 ( 0.000 2.077 0.000) 2.077 3.822 ( 0.000 2.451 0.000) 2.451 3.830 ( 0.000 -1.543 0.000) 1.543 3.902 ( 0.000 1.264 0.000) 1.264 3.956 ( 0.000 -1.393 0.000) 1.393 3.971 ( 0.000 -2.650 0.000) 2.650 4.009 ( 0.000 -2.201 0.000) 2.201 4.019 ( 0.000 -5.350 0.000) 5.350 4.078 ( 0.000 -2.422 0.000) 2.422 4.094 ( 0.000 -0.072 0.000) 0.072 4.112 ( 0.000 -4.514 0.000) 4.514 4.190 ( 0.000 -3.001 0.000) 3.001 4.226 ( 0.000 2.816 0.000) 2.816 4.281 ( 0.000 0.486 0.000) 0.486 4.301 ( 0.000 0.342 0.000) 0.342 4.316 ( 0.000 -2.498 0.000) 2.498 4.336 ( 0.000 3.637 0.000) 3.637 4.396 ( 0.000 -1.400 0.000) 1.400 4.426 ( 0.000 -2.980 0.000) 2.980 4.450 ( 0.000 1.378 0.000) 1.378 4.462 ( 0.000 -1.486 0.000) 1.486 4.574 ( 0.000 -1.103 0.000) 1.103 4.597 ( 0.000 -3.920 0.000) 3.920 4.611 ( 0.000 2.065 0.000) 2.065 4.640 ( 0.000 -0.805 0.000) 0.805 4.682 ( 0.000 0.631 0.000) 0.631 4.703 ( 0.000 2.027 0.000) 2.027 4.724 ( 0.000 -0.587 0.000) 0.587 4.763 ( 0.000 -2.988 0.000) 2.988 4.847 ( 0.000 1.787 0.000) 1.787 4.848 ( 0.000 0.427 0.000) 0.427 4.920 ( 0.000 -2.173 0.000) 2.173 4.941 ( 0.000 -1.896 0.000) 1.896 4.948 ( 0.000 3.089 0.000) 3.089 4.964 ( 0.000 1.749 0.000) 1.749 5.015 ( 0.000 0.523 0.000) 0.523 5.049 ( 0.000 5.177 0.000) 5.177 5.090 ( 0.000 1.831 0.000) 1.831 5.094 ( 0.000 0.535 0.000) 0.535 5.170 ( 0.000 3.820 0.000) 3.820 5.205 ( 0.000 0.673 0.000) 0.673 5.208 ( 0.000 5.675 0.000) 5.675 5.222 ( 0.000 -2.612 0.000) 2.612 5.276 ( 0.000 -2.589 0.000) 2.589 5.280 ( 0.000 -0.334 0.000) 0.334 5.373 ( 0.000 3.259 0.000) 3.259 5.387 ( 0.000 -0.872 0.000) 0.872 5.424 ( 0.000 1.001 0.000) 1.001 5.452 ( 0.000 2.147 0.000) 2.147 5.583 ( 0.000 -0.287 0.000) 0.287 5.593 ( 0.000 -2.336 0.000) 2.336 5.677 ( 0.000 -0.938 0.000) 0.938 5.697 ( 0.000 -1.538 0.000) 1.538 5.786 ( 0.000 1.256 0.000) 1.256 5.799 ( 0.000 3.352 0.000) 3.352 5.826 ( 0.000 2.301 0.000) 2.301 5.847 ( 0.000 5.015 0.000) 5.015 5.894 ( 0.000 -0.769 0.000) 0.769 5.983 ( 0.000 -3.429 0.000) 3.429 6.084 ( 0.000 -4.288 0.000) 4.288 6.110 ( 0.000 0.131 0.000) 0.131 6.159 ( 0.000 0.215 0.000) 0.215 6.227 ( 0.000 1.558 0.000) 1.558 6.240 ( 0.000 1.874 0.000) 1.874 6.296 ( 0.000 -0.220 0.000) 0.220 6.394 ( 0.000 -1.446 0.000) 1.446 6.423 ( 0.000 -1.076 0.000) 1.076 6.430 ( 0.000 -1.864 0.000) 1.864 6.478 ( 0.000 -4.189 0.000) 4.189 6.518 ( 0.000 2.189 0.000) 2.189 6.558 ( 0.000 -1.837 0.000) 1.837 6.633 ( 0.000 1.256 0.000) 1.256 6.701 ( 0.000 -0.471 0.000) 0.471 6.741 ( 0.000 0.239 0.000) 0.239 6.846 ( 0.000 -4.186 0.000) 4.186 6.864 ( 0.000 -2.983 0.000) 2.983 6.895 ( 0.000 2.617 0.000) 2.617 6.903 ( 0.000 2.070 0.000) 2.070 6.932 ( 0.000 0.659 0.000) 0.659 6.983 ( 0.000 3.131 0.000) 3.131 7.011 ( 0.000 -1.859 0.000) 1.859 7.057 ( 0.000 -1.901 0.000) 1.901 7.137 ( 0.000 -3.370 0.000) 3.370 7.147 ( 0.000 -2.328 0.000) 2.328 7.195 ( 0.000 -2.508 0.000) 2.508 7.233 ( 0.000 -1.441 0.000) 1.441 7.254 ( 0.000 -3.481 0.000) 3.481 7.265 ( 0.000 0.728 0.000) 0.728 7.304 ( 0.000 -2.538 0.000) 2.538 7.320 ( 0.000 -0.211 0.000) 0.211 7.378 ( 0.000 2.926 0.000) 2.926 7.455 ( 0.000 1.716 0.000) 1.716 7.474 ( 0.000 2.012 0.000) 2.012 7.494 ( 0.000 0.940 0.000) 0.940 7.560 ( 0.000 3.963 0.000) 3.963 7.684 ( 0.000 -2.821 0.000) 2.821 7.705 ( 0.000 -0.182 0.000) 0.182 7.718 ( 0.000 -0.529 0.000) 0.529 7.793 ( 0.000 -2.076 0.000) 2.076 7.821 ( 0.000 2.267 0.000) 2.267 7.924 ( 0.000 -0.290 0.000) 0.290 7.956 ( 0.000 0.889 0.000) 0.889 7.986 ( 0.000 0.395 0.000) 0.395 7.995 ( 0.000 -1.381 0.000) 1.381 8.082 ( 0.000 -1.492 0.000) 1.492 8.085 ( 0.000 1.268 0.000) 1.268 8.147 ( 0.000 -2.044 0.000) 2.044 8.158 ( 0.000 1.015 0.000) 1.015 8.170 ( 0.000 1.042 0.000) 1.042 8.197 ( 0.000 0.041 0.000) 0.041 8.217 ( 0.000 -0.200 0.000) 0.200 8.333 ( 0.000 -1.918 0.000) 1.918 8.339 ( 0.000 4.831 0.000) 4.831 8.438 ( 0.000 3.846 0.000) 3.846 8.534 ( 0.000 -1.425 0.000) 1.425 8.616 ( 0.000 -1.476 0.000) 1.476 8.692 ( 0.000 -0.802 0.000) 0.802 8.732 ( 0.000 0.475 0.000) 0.475 8.778 ( 0.000 -0.508 0.000) 0.508 8.821 ( 0.000 -0.030 0.000) 0.030 9.000 ( 0.000 1.695 0.000) 1.695 9.097 ( 0.000 -0.763 0.000) 0.763 9.183 ( 0.000 0.875 0.000) 0.875 9.192 ( 0.000 1.089 0.000) 1.089 9.276 ( 0.000 0.547 0.000) 0.547 9.305 ( 0.000 -0.784 0.000) 0.784 11.544 ( 0.000 -0.456 0.000) 0.456 11.562 ( 0.000 -0.541 0.000) 0.541 11.572 ( 0.000 0.879 0.000) 0.879 11.621 ( 0.000 -0.583 0.000) 0.583 11.706 ( 0.000 0.751 0.000) 0.751 11.737 ( 0.000 0.601 0.000) 0.601 11.746 ( 0.000 0.221 0.000) 0.221 11.763 ( 0.000 -0.288 0.000) 0.288 12.129 ( 0.000 0.073 0.000) 0.073 12.136 ( 0.000 -0.179 0.000) 0.179 12.141 ( 0.000 0.463 0.000) 0.463 12.162 ( 0.000 -0.071 0.000) 0.071 14.519 ( 0.000 1.058 0.000) 1.058 14.581 ( 0.000 2.828 0.000) 2.828 14.608 ( 0.000 -1.036 0.000) 1.036 14.786 ( 0.000 -2.699 0.000) 2.699 14.833 ( 0.000 0.278 0.000) 0.278 14.864 ( 0.000 -0.580 0.000) 0.580 14.885 ( 0.000 0.981 0.000) 0.981 14.890 ( 0.000 0.698 0.000) 0.698 15.117 ( 0.000 0.390 0.000) 0.390 15.162 ( 0.000 1.945 0.000) 1.945 15.182 ( 0.000 -1.472 0.000) 1.472 15.255 ( 0.000 -0.281 0.000) 0.281 15.378 ( 0.000 2.500 0.000) 2.500 15.550 ( 0.000 -0.027 0.000) 0.027 15.570 ( 0.000 -2.868 0.000) 2.868 15.602 ( 0.000 -0.988 0.000) 0.988 15.969 ( 0.000 1.993 0.000) 1.993 16.108 ( 0.000 0.851 0.000) 0.851 16.117 ( 0.000 -2.022 0.000) 2.022 16.162 ( 0.000 -0.232 0.000) 0.232 16.426 ( 0.000 -0.690 0.000) 0.690 16.464 ( 0.000 0.519 0.000) 0.519 16.474 ( 0.000 -0.406 0.000) 0.406 16.556 ( 0.000 1.154 0.000) 1.154 16.605 ( 0.000 -5.775 0.000) 5.775 16.628 ( 0.000 1.328 0.000) 1.328 16.751 ( 0.000 -1.216 0.000) 1.216 16.780 ( 0.000 1.274 0.000) 1.274 16.963 ( 0.000 2.152 0.000) 2.152 17.072 ( 0.000 -0.630 0.000) 0.630 17.138 ( 0.000 0.447 0.000) 0.447 17.166 ( 0.000 -0.290 0.000) 0.290 18.017 ( 0.000 1.406 0.000) 1.406 18.092 ( 0.000 -0.027 0.000) 0.027 18.093 ( 0.000 -0.074 0.000) 0.074 18.102 ( 0.000 -0.886 0.000) 0.886 ======================= Grid point 8 (6/30) ======================= q-point: ( 0.17 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.419 ( 7.697 12.961 7.589) 16.877 0.538 ( 6.887 18.958 5.589) 20.930 0.852 ( 12.527 19.538 2.920) 23.392 0.990 ( 2.285 3.835 -5.549) 7.122 1.238 ( 5.606 2.182 -7.683) 9.758 1.286 ( -0.513 0.605 4.258) 4.331 1.327 ( -0.433 -4.550 -1.604) 4.844 1.395 ( -4.012 -2.371 -1.846) 5.012 1.522 ( -5.208 -3.586 -4.775) 7.924 1.551 ( 0.514 -4.298 4.192) 6.026 1.589 ( 2.081 -5.015 1.290) 5.581 1.651 ( -4.681 -2.277 -1.827) 5.517 1.679 ( 0.648 0.767 2.149) 2.372 1.708 ( -4.662 -1.452 5.499) 7.354 1.815 ( -3.750 0.745 0.034) 3.824 1.856 ( -3.363 -10.155 -0.089) 10.698 1.920 ( -4.436 5.063 -0.118) 6.732 1.993 ( -3.871 -0.267 1.257) 4.078 1.997 ( 0.944 2.495 -1.795) 3.215 2.063 ( -2.092 -3.821 -1.108) 4.495 2.129 ( -0.227 -3.252 -1.417) 3.555 2.147 ( -0.908 -0.202 -0.666) 1.144 2.175 ( 1.352 -0.160 0.314) 1.398 2.179 ( -2.993 -0.978 1.432) 3.459 2.231 ( -3.180 -1.083 0.915) 3.481 2.293 ( 2.171 4.744 -0.892) 5.293 2.335 ( -0.510 -1.454 -1.562) 2.194 2.360 ( 0.528 0.575 -0.859) 1.161 2.385 ( -1.565 -0.810 0.771) 1.924 2.421 ( -1.191 -0.441 0.395) 1.330 2.438 ( -3.483 1.386 2.164) 4.328 2.451 ( -1.684 0.349 -1.090) 2.036 2.530 ( -0.967 -1.851 -1.205) 2.411 2.541 ( 3.256 1.096 1.968) 3.959 2.577 ( 1.346 -0.783 -3.816) 4.121 2.605 ( 1.914 1.697 -0.080) 2.559 2.650 ( 0.913 0.491 -0.018) 1.037 2.664 ( 5.195 1.701 0.357) 5.478 2.678 ( 0.872 2.702 0.198) 2.846 2.728 ( 0.212 0.142 -1.021) 1.052 2.756 ( 1.580 0.960 2.152) 2.837 2.785 ( 0.480 -2.116 0.137) 2.174 2.852 ( 0.244 0.582 -2.620) 2.695 2.886 ( 1.322 0.127 1.304) 1.861 2.917 ( -2.818 1.541 -0.445) 3.243 2.969 ( -1.058 1.235 -0.324) 1.659 3.006 ( 1.234 -0.698 1.384) 1.981 3.057 ( 2.333 1.961 1.023) 3.215 3.281 ( 0.743 2.030 0.087) 2.164 3.317 ( -2.464 2.266 -0.371) 3.368 3.399 ( 0.034 -0.774 -0.276) 0.822 3.457 ( 1.092 0.978 1.198) 1.894 3.685 ( -1.478 0.377 3.664) 3.969 3.732 ( -2.610 -0.833 1.169) 2.978 3.804 ( 1.279 1.277 -0.229) 1.822 3.829 ( 0.835 2.120 1.707) 2.848 3.862 ( 1.239 -2.165 -1.497) 2.909 3.903 ( 0.586 -0.605 0.150) 0.856 3.929 ( -2.046 1.040 -1.642) 2.822 3.964 ( 0.657 -3.271 -0.980) 3.477 4.011 ( -1.151 -3.966 3.565) 5.456 4.043 ( 0.702 -2.937 -0.257) 3.030 4.053 ( -2.891 -1.464 0.681) 3.312 4.082 ( -1.037 -4.359 0.823) 4.555 4.089 ( -2.965 -1.101 -2.842) 4.252 4.120 ( -0.451 -2.510 0.678) 2.639 4.254 ( -2.107 -0.767 -3.006) 3.750 4.267 ( -0.765 1.730 3.906) 4.340 4.307 ( 0.028 0.246 0.083) 0.261 4.329 ( 1.401 1.769 -0.430) 2.297 4.355 ( -0.196 0.547 -0.212) 0.619 4.382 ( -0.524 -0.332 -1.238) 1.385 4.405 ( -1.007 0.392 -0.143) 1.090 4.446 ( 1.473 -0.855 0.745) 1.859 4.492 ( 1.875 1.324 -1.291) 2.634 4.554 ( -3.561 -1.504 -1.689) 4.219 4.580 ( 0.139 -1.396 0.752) 1.592 4.601 ( -0.705 1.005 1.096) 1.646 4.639 ( -2.148 1.615 0.887) 2.830 4.665 ( -1.438 0.448 0.985) 1.799 4.700 ( 1.911 0.948 -0.558) 2.205 4.740 ( 0.851 -2.303 1.372) 2.813 4.766 ( 1.034 -1.706 -2.166) 2.944 4.807 ( -1.873 0.657 0.223) 1.997 4.888 ( -0.020 -0.976 0.812) 1.269 4.922 ( -0.304 -0.157 1.394) 1.435 4.924 ( -0.125 -1.897 -1.480) 2.409 4.958 ( 0.975 0.855 0.217) 1.315 4.966 ( -0.045 1.393 -0.534) 1.493 5.025 ( -1.985 4.795 -1.872) 5.517 5.041 ( 1.830 -0.002 0.060) 1.831 5.092 ( 1.033 3.277 -2.765) 4.411 5.096 ( 0.254 0.082 0.136) 0.300 5.133 ( -1.628 2.430 -1.025) 3.100 5.146 ( -2.915 3.748 -0.372) 4.762 5.197 ( -1.397 0.615 -1.506) 2.144 5.224 ( 0.541 -0.843 -0.509) 1.123 5.263 ( -0.600 0.008 2.450) 2.522 5.303 ( 1.020 1.087 -1.591) 2.180 5.364 ( 0.330 -0.294 -0.679) 0.811 5.390 ( -0.299 2.588 1.149) 2.847 5.435 ( 0.245 -0.067 0.287) 0.383 5.490 ( 1.290 1.012 2.634) 3.102 5.548 ( -2.093 -2.113 -2.250) 3.729 5.618 ( 3.227 -0.031 1.485) 3.552 5.649 ( -1.742 -1.182 -1.449) 2.555 5.733 ( 1.330 1.322 2.430) 3.069 5.785 ( 1.504 2.427 -0.089) 2.856 5.806 ( -0.087 3.414 0.077) 3.416 5.855 ( 1.746 2.956 1.018) 3.581 5.873 ( 2.020 0.985 1.671) 2.800 5.912 ( 1.815 -0.827 -0.866) 2.174 6.000 ( 2.265 -2.548 -0.453) 3.439 6.086 ( -0.288 -3.764 1.297) 3.992 6.113 ( 0.195 -0.274 0.896) 0.957 6.159 ( 1.191 0.795 -2.600) 2.968 6.196 ( -0.955 0.235 -1.267) 1.604 6.260 ( 1.469 1.929 -1.179) 2.697 6.292 ( -0.280 -0.159 -0.744) 0.811 6.384 ( -1.468 -0.961 1.757) 2.484 6.426 ( -1.437 -2.647 3.188) 4.386 6.435 ( -0.586 -2.043 2.318) 3.144 6.467 ( 0.067 -3.695 -2.573) 4.504 6.531 ( -0.779 -0.074 -0.583) 0.976 6.553 ( 2.833 0.320 -1.555) 3.247 6.613 ( -1.314 1.292 -1.376) 2.300 6.702 ( 0.910 -1.024 -2.433) 2.792 6.717 ( -2.049 0.746 -0.294) 2.200 6.824 ( -1.780 -3.190 0.020) 3.654 6.868 ( 0.370 -1.076 0.157) 1.149 6.902 ( 0.416 1.919 1.123) 2.262 6.924 ( 1.350 1.450 1.039) 2.237 6.950 ( -2.719 2.041 0.431) 3.427 6.962 ( 1.778 0.245 -1.359) 2.251 7.004 ( -0.545 0.214 0.544) 0.799 7.050 ( -0.470 -1.030 -0.755) 1.360 7.113 ( -2.117 -2.323 1.877) 3.661 7.158 ( -1.512 -1.283 -2.625) 3.289 7.189 ( 2.509 -2.926 0.449) 3.880 7.236 ( 1.232 -1.376 -1.960) 2.693 7.264 ( 1.783 -1.894 2.115) 3.353 7.305 ( -0.019 -1.047 0.353) 1.105 7.320 ( 0.760 -1.324 1.235) 1.963 7.340 ( 1.705 -1.091 1.167) 2.337 7.364 ( -0.810 3.487 -0.013) 3.580 7.442 ( 0.777 1.622 -3.204) 3.675 7.485 ( 0.464 1.212 2.165) 2.524 7.502 ( 0.500 0.872 -0.482) 1.114 7.556 ( -1.696 2.055 2.799) 3.865 7.664 ( -1.169 -3.529 -1.643) 4.065 7.678 ( -2.546 1.334 -0.105) 2.877 7.717 ( -1.579 0.104 1.961) 2.519 7.738 ( -1.050 2.985 -1.353) 3.441 7.810 ( 1.202 -1.562 -0.309) 1.995 7.877 ( -1.744 1.150 -0.130) 2.093 7.967 ( 1.315 0.734 -4.606) 4.846 7.992 ( -0.042 -1.659 -1.399) 2.171 8.014 ( 0.424 0.991 0.980) 1.457 8.038 ( -2.112 0.906 -0.371) 2.328 8.066 ( -4.041 -1.715 3.646) 5.707 8.126 ( -0.078 -0.464 0.586) 0.752 8.167 ( 0.998 -0.093 -1.705) 1.978 8.199 ( -1.244 -1.314 3.046) 3.543 8.226 ( 1.468 1.109 1.600) 2.438 8.267 ( 1.572 -1.497 -4.993) 5.445 8.308 ( 2.523 -0.937 -0.357) 2.715 8.351 ( -1.693 4.724 1.760) 5.318 8.438 ( 0.471 2.100 -0.039) 2.152 8.535 ( -0.181 -0.980 -1.119) 1.499 8.581 ( -3.444 2.505 0.777) 4.329 8.640 ( 1.373 -3.100 -2.256) 4.073 8.772 ( 0.287 -4.121 -1.281) 4.325 8.779 ( -0.037 0.473 1.666) 1.733 8.805 ( -1.547 0.109 0.766) 1.730 9.032 ( 2.687 1.573 1.248) 3.355 9.122 ( 0.169 -0.589 0.396) 0.730 9.188 ( 0.268 0.701 0.134) 0.762 9.223 ( 3.595 0.962 -2.255) 4.351 9.290 ( 1.518 0.298 0.231) 1.565 9.316 ( 0.394 -0.551 1.246) 1.418 11.525 ( -1.584 -0.294 -0.089) 1.613 11.536 ( -1.968 -0.049 0.239) 1.983 11.597 ( 1.729 0.166 -0.277) 1.759 11.633 ( 0.873 -0.671 0.341) 1.153 11.709 ( 0.209 0.968 0.181) 1.006 11.731 ( 0.205 0.950 -0.173) 0.988 11.770 ( 1.272 -0.078 -0.083) 1.278 11.771 ( 1.252 -0.325 -0.111) 1.298 12.132 ( 0.261 0.050 0.141) 0.301 12.136 ( 0.043 -0.063 -0.047) 0.090 12.141 ( 0.173 0.542 -0.219) 0.609 12.165 ( 0.302 -0.137 0.119) 0.352 14.522 ( 1.198 2.112 0.351) 2.454 14.578 ( 1.082 1.934 -1.859) 2.893 14.649 ( 2.010 -1.174 1.974) 3.052 14.769 ( -1.436 -0.294 -1.277) 1.944 14.826 ( 0.020 -0.207 -2.130) 2.140 14.864 ( 1.243 -0.330 -0.712) 1.470 14.871 ( -0.579 0.642 -0.294) 0.913 14.890 ( 0.704 0.469 -1.276) 1.531 15.125 ( 0.436 0.750 1.037) 1.352 15.163 ( 0.156 1.586 0.713) 1.746 15.193 ( 0.010 -0.715 0.989) 1.221 15.250 ( -0.334 -0.241 -1.270) 1.336 15.469 ( 1.714 -3.834 8.135) 9.155 15.523 ( -2.146 -0.697 -0.438) 2.299 15.573 ( -0.194 -1.546 0.119) 1.562 15.597 ( -0.478 -1.152 -0.203) 1.264 15.970 ( 0.111 1.994 0.150) 2.002 16.068 ( -0.848 2.007 -0.735) 2.299 16.155 ( 0.826 -1.685 -0.748) 2.020 16.188 ( 1.214 -4.065 2.397) 4.873 16.420 ( -0.575 0.681 0.216) 0.917 16.461 ( 0.415 0.396 -1.035) 1.184 16.484 ( 0.996 -0.515 -0.620) 1.282 16.554 ( -0.263 0.758 0.584) 0.992 16.598 ( -0.793 -5.048 0.782) 5.169 16.629 ( 0.189 0.123 -0.908) 0.935 16.742 ( -0.463 0.128 0.218) 0.527 16.811 ( 1.821 0.573 1.086) 2.196 16.952 ( -1.346 2.299 -0.819) 2.787 16.957 ( -5.119 5.788 0.227) 7.730 17.149 ( -0.630 -1.179 -1.577) 2.067 17.206 ( 1.656 -4.152 -0.524) 4.501 17.991 ( -0.990 1.847 -0.290) 2.116 18.059 ( -1.319 -0.768 -1.006) 1.828 18.103 ( 0.694 0.422 0.100) 0.818 18.138 ( 1.609 -0.459 -0.928) 1.914 ======================= Grid point 9 (7/30) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.669 ( 13.016 3.978 3.980) 14.181 0.735 ( 11.061 8.448 6.175) 15.227 0.948 ( 1.710 2.806 -5.336) 6.267 1.076 ( 5.845 2.312 4.920) 7.982 1.202 ( -4.984 3.547 -3.791) 7.197 1.288 ( -2.985 -2.168 -3.425) 5.034 1.329 ( 3.005 0.414 -6.366) 7.052 1.391 ( 2.697 0.579 0.685) 2.843 1.405 ( -3.647 -1.664 2.933) 4.967 1.533 ( -2.881 -5.208 -5.349) 8.002 1.543 ( -3.511 0.784 -3.525) 5.036 1.593 ( -4.925 -2.101 5.838) 7.921 1.658 ( -5.389 -0.534 4.557) 7.078 1.727 ( 1.789 1.837 3.189) 4.092 1.770 ( 0.122 -2.110 -2.135) 3.004 1.804 ( -3.428 -4.133 6.407) 8.360 1.873 ( -1.202 -1.345 1.215) 2.175 1.916 ( -3.624 0.066 -0.640) 3.681 2.018 ( 3.917 -0.876 -5.494) 6.804 2.040 ( -0.824 -4.089 1.940) 4.600 2.092 ( -1.979 -3.479 -0.210) 4.008 2.125 ( -2.479 0.033 -1.233) 2.769 2.159 ( -0.307 -4.124 0.868) 4.226 2.183 ( -0.122 -0.878 -0.071) 0.889 2.216 ( 1.145 0.982 2.721) 3.111 2.288 ( -0.890 2.436 -0.775) 2.706 2.323 ( -1.073 0.784 0.329) 1.369 2.343 ( -2.212 3.126 -0.841) 3.921 2.372 ( -0.065 3.501 0.044) 3.502 2.402 ( -0.218 -0.278 0.932) 0.996 2.416 ( -1.540 0.326 -0.296) 1.602 2.451 ( 2.975 3.248 -0.870) 4.490 2.477 ( -3.466 0.299 -2.905) 4.533 2.535 ( -3.922 1.927 -2.875) 5.231 2.572 ( -2.577 -0.164 1.323) 2.901 2.617 ( -0.119 4.562 -0.553) 4.597 2.647 ( 3.590 0.327 0.841) 3.702 2.720 ( 2.567 0.314 -2.725) 3.757 2.726 ( -0.570 1.107 -0.206) 1.262 2.734 ( 1.965 1.295 0.896) 2.519 2.788 ( 0.557 0.498 0.077) 0.751 2.842 ( 5.019 0.039 -0.333) 5.030 2.853 ( -2.341 2.303 -0.971) 3.424 2.879 ( 3.936 -1.074 -2.257) 4.662 2.918 ( 0.435 -1.763 1.561) 2.395 2.965 ( -0.059 0.456 2.328) 2.373 3.030 ( 0.445 -2.555 1.032) 2.791 3.115 ( 2.958 1.113 1.568) 3.528 3.273 ( -2.175 3.418 -0.012) 4.051 3.286 ( -0.702 2.832 0.520) 2.964 3.369 ( -2.719 -1.948 -0.816) 3.442 3.480 ( 0.560 -0.538 0.961) 1.236 3.687 ( -1.218 0.378 0.295) 1.309 3.717 ( 1.008 0.411 3.738) 3.893 3.828 ( 1.209 -0.114 0.220) 1.235 3.856 ( 0.283 -2.395 -0.316) 2.433 3.868 ( 0.414 0.115 1.271) 1.341 3.885 ( -1.074 -0.929 -0.066) 1.422 3.910 ( 0.721 -2.344 -1.040) 2.664 3.971 ( -3.510 -2.247 -0.689) 4.224 3.983 ( -1.091 -4.524 0.385) 4.670 4.019 ( -0.495 -4.057 -0.590) 4.129 4.036 ( -0.011 0.546 0.830) 0.994 4.051 ( -0.176 -2.119 -2.536) 3.309 4.079 ( 0.443 -2.256 -0.046) 2.300 4.120 ( -1.897 -2.093 4.506) 5.318 4.184 ( -3.311 0.918 -2.131) 4.043 4.268 ( -1.211 1.135 0.441) 1.717 4.294 ( -1.046 1.712 0.375) 2.041 4.314 ( -1.167 1.885 -0.783) 2.351 4.354 ( 0.099 0.514 0.182) 0.554 4.398 ( 1.870 2.426 1.310) 3.331 4.405 ( 0.050 -1.044 -0.195) 1.063 4.457 ( -1.188 -0.095 -1.853) 2.203 4.486 ( -1.190 0.271 0.559) 1.342 4.506 ( 0.519 0.700 -2.960) 3.086 4.579 ( -3.540 2.408 -0.101) 4.283 4.593 ( 2.558 1.106 -1.969) 3.412 4.616 ( -0.461 1.289 3.279) 3.554 4.665 ( -0.268 0.986 1.230) 1.599 4.719 ( 1.738 -1.702 -2.039) 3.174 4.754 ( -0.350 -3.333 0.779) 3.440 4.772 ( 1.478 -0.620 -2.325) 2.824 4.812 ( 1.496 -0.910 1.567) 2.350 4.885 ( -0.308 -2.074 0.091) 2.099 4.902 ( -2.097 0.643 0.217) 2.204 4.907 ( -1.694 0.496 0.929) 1.994 4.948 ( -1.444 1.333 -1.816) 2.676 4.982 ( 0.333 1.839 2.068) 2.788 5.015 ( 1.241 2.675 1.854) 3.483 5.061 ( 0.436 -0.509 -0.002) 0.670 5.064 ( -0.668 3.233 -2.993) 4.456 5.088 ( -2.336 2.539 -0.243) 3.458 5.110 ( 0.717 1.468 -3.228) 3.618 5.134 ( 1.433 1.892 0.301) 2.392 5.190 ( 0.803 -1.426 1.338) 2.114 5.230 ( 0.349 -1.144 0.274) 1.227 5.269 ( -0.555 0.273 -2.613) 2.685 5.285 ( -0.106 0.039 -0.686) 0.695 5.364 ( -0.993 1.971 -0.641) 2.298 5.402 ( 0.541 -1.103 1.870) 2.237 5.419 ( -1.843 -1.066 0.796) 2.273 5.520 ( 0.454 -1.041 0.952) 1.482 5.532 ( 1.105 0.599 0.746) 1.462 5.607 ( -1.209 1.161 -2.955) 3.397 5.697 ( 3.726 0.497 2.390) 4.455 5.775 ( 1.314 0.169 2.935) 3.220 5.791 ( 0.953 2.716 -2.178) 3.609 5.839 ( 0.843 3.871 4.352) 5.885 5.872 ( 0.498 2.376 -0.937) 2.602 5.898 ( -0.618 0.055 0.835) 1.040 5.928 ( 1.388 0.891 -3.834) 4.173 6.051 ( 3.862 -1.755 -1.751) 4.590 6.090 ( -1.094 -3.073 3.853) 5.049 6.136 ( 2.245 -1.428 0.404) 2.691 6.168 ( 0.296 -0.124 -1.112) 1.158 6.185 ( 0.797 -2.628 -0.151) 2.750 6.263 ( -1.403 -1.351 -0.744) 2.085 6.282 ( 0.725 2.896 -0.956) 3.135 6.364 ( -2.132 -0.659 0.805) 2.372 6.412 ( -3.053 -3.074 3.774) 5.746 6.429 ( 0.023 -4.568 -3.845) 5.971 6.454 ( 0.509 -1.153 0.983) 1.598 6.514 ( -0.256 -0.214 -0.915) 0.974 6.584 ( -0.545 -0.641 -1.014) 1.317 6.617 ( 3.477 0.999 0.209) 3.624 6.679 ( -1.053 1.195 -1.510) 2.195 6.715 ( 1.989 0.171 -1.529) 2.515 6.793 ( -1.599 -3.003 -0.100) 3.404 6.880 ( 0.681 0.681 1.184) 1.527 6.890 ( -2.495 0.252 -0.280) 2.523 6.926 ( 0.098 1.175 1.330) 1.778 6.952 ( 0.114 1.242 -1.223) 1.747 6.974 ( 0.604 0.082 1.529) 1.646 6.998 ( -0.425 -0.212 1.233) 1.322 7.042 ( -0.060 1.161 0.309) 1.203 7.086 ( -0.594 -0.139 -1.215) 1.359 7.134 ( -1.829 0.121 0.929) 2.055 7.218 ( -0.934 0.446 -0.863) 1.347 7.231 ( 1.036 -0.278 -1.442) 1.797 7.282 ( -0.577 -0.981 -0.677) 1.324 7.305 ( 0.302 -0.472 -0.446) 0.716 7.322 ( 0.606 0.005 1.781) 1.881 7.383 ( 1.716 -2.053 0.781) 2.788 7.387 ( 2.187 -0.464 0.825) 2.383 7.441 ( 0.329 0.952 -1.174) 1.546 7.496 ( -0.411 0.487 -0.760) 0.991 7.512 ( 0.956 -0.808 1.028) 1.620 7.539 ( -1.667 0.350 1.565) 2.313 7.639 ( -0.393 -3.437 -1.144) 3.644 7.654 ( -0.216 3.414 -0.719) 3.496 7.712 ( 0.032 -0.304 2.376) 2.396 7.752 ( 1.307 0.838 1.489) 2.151 7.813 ( -0.600 -1.188 -0.889) 1.600 7.867 ( 0.322 -0.739 -0.037) 0.807 7.926 ( -3.694 -0.304 -2.894) 4.703 7.967 ( -0.923 0.758 -0.689) 1.379 7.984 ( -0.232 -0.514 -0.320) 0.648 8.030 ( -0.994 -0.372 -0.240) 1.088 8.059 ( -0.017 -0.109 1.343) 1.347 8.127 ( 0.069 -0.882 -0.387) 0.966 8.164 ( 0.103 1.414 0.278) 1.445 8.201 ( 0.403 -1.483 0.151) 1.544 8.254 ( 0.287 0.830 1.976) 2.162 8.278 ( 1.655 -1.212 -1.282) 2.419 8.305 ( -2.192 1.391 -0.986) 2.777 8.324 ( -1.012 5.014 0.186) 5.118 8.453 ( 0.534 0.512 0.631) 0.972 8.526 ( 0.389 -0.987 -0.427) 1.143 8.563 ( 0.095 0.662 -0.942) 1.155 8.645 ( -0.385 -5.155 0.408) 5.185 8.748 ( -1.371 -3.072 1.083) 3.534 8.772 ( -1.140 -0.779 -0.781) 1.586 8.806 ( 0.325 0.483 0.352) 0.680 9.085 ( 1.979 1.019 0.929) 2.413 9.126 ( 0.595 1.506 0.394) 1.666 9.179 ( -0.708 1.711 -1.201) 2.207 9.270 ( 3.338 0.650 -2.134) 4.015 9.313 ( 0.041 0.142 1.072) 1.082 9.333 ( 0.878 0.381 0.809) 1.253 11.499 ( -1.085 -0.095 -0.292) 1.128 11.509 ( -1.341 -0.098 0.371) 1.395 11.620 ( 1.040 -0.174 -0.080) 1.057 11.647 ( 0.514 -0.786 0.185) 0.957 11.714 ( 0.322 1.122 0.087) 1.171 11.739 ( 0.559 1.406 -0.013) 1.513 11.782 ( 0.735 -0.638 -0.342) 1.032 11.797 ( 1.204 0.014 0.081) 1.207 12.136 ( 0.069 0.099 0.103) 0.159 12.138 ( 0.173 0.003 -0.263) 0.314 12.145 ( 0.290 0.422 0.051) 0.514 12.172 ( 0.319 -0.231 0.147) 0.421 14.561 ( 2.518 1.501 0.239) 2.942 14.591 ( 1.438 2.220 -0.306) 2.663 14.679 ( -0.327 -0.577 -0.075) 0.668 14.739 ( -0.689 1.800 0.471) 1.984 14.816 ( 0.146 -1.016 -1.679) 1.968 14.868 ( 0.221 -0.201 0.040) 0.301 14.883 ( 0.324 -0.362 0.160) 0.512 14.891 ( 0.845 -0.897 -1.133) 1.674 15.140 ( 0.481 0.922 0.800) 1.312 15.177 ( 0.295 0.935 1.934) 2.168 15.196 ( 0.134 -0.167 -0.318) 0.383 15.229 ( -0.932 -0.077 -1.335) 1.630 15.480 ( -1.682 -0.194 -0.626) 1.805 15.514 ( -0.611 -2.006 3.837) 4.373 15.569 ( -0.040 -1.330 -0.398) 1.389 15.584 ( -0.866 -1.190 -0.049) 1.472 15.974 ( 0.125 2.000 0.192) 2.013 16.060 ( -0.039 1.825 -0.210) 1.837 16.159 ( 0.401 -1.474 -1.038) 1.847 16.205 ( -0.297 -4.584 1.256) 4.763 16.413 ( -0.194 1.572 -0.284) 1.609 16.465 ( 0.599 0.204 -0.613) 0.881 16.496 ( 0.697 -0.505 -0.243) 0.895 16.560 ( 0.420 -0.724 0.816) 1.169 16.592 ( -0.475 -4.143 0.829) 4.251 16.619 ( -0.601 -1.242 -0.895) 1.645 16.748 ( 1.138 2.030 0.028) 2.327 16.823 ( -1.537 3.170 0.479) 3.555 16.902 ( -0.836 2.123 -0.557) 2.348 16.940 ( -0.608 3.157 1.090) 3.394 17.123 ( -0.911 -2.310 -1.422) 2.862 17.206 ( -0.569 -3.549 -0.370) 3.613 17.988 ( 0.461 0.622 0.095) 0.780 18.033 ( -1.086 -0.956 -0.605) 1.568 18.111 ( 0.315 1.324 -0.248) 1.384 18.149 ( 0.449 -0.272 -0.385) 0.651 ======================= Grid point 10 (8/30) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 25 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( 0.000 3.514 0.000) 3.514 0.915 ( -0.000 5.212 0.000) 5.212 0.920 ( 0.000 0.568 0.000) 0.568 1.136 ( 0.000 6.281 -0.000) 6.281 1.163 ( 0.000 -1.080 -0.000) 1.080 1.169 ( -0.000 -4.006 0.000) 4.006 1.347 ( 0.000 -6.614 0.000) 6.614 1.395 ( 0.000 -4.936 0.000) 4.936 1.420 ( 0.000 2.825 -0.000) 2.825 1.457 ( 0.000 2.687 0.000) 2.687 1.527 ( -0.000 1.603 0.000) 1.603 1.543 ( 0.000 -4.932 -0.000) 4.932 1.614 ( 0.000 3.196 0.000) 3.196 1.725 ( 0.000 2.834 0.000) 2.834 1.800 ( -0.000 -5.209 0.000) 5.209 1.807 ( 0.000 -4.762 -0.000) 4.762 1.873 ( 0.000 1.663 0.000) 1.663 1.878 ( 0.000 -2.239 0.000) 2.239 2.035 ( 0.000 -4.480 -0.000) 4.480 2.056 ( -0.000 -1.397 0.000) 1.397 2.061 ( 0.000 -5.892 -0.000) 5.892 2.090 ( 0.000 -2.735 0.000) 2.735 2.182 ( 0.000 -1.683 0.000) 1.683 2.201 ( -0.000 9.825 0.000) 9.825 2.232 ( 0.000 -5.363 -0.000) 5.363 2.275 ( 0.000 1.123 0.000) 1.123 2.306 ( 0.000 2.718 0.000) 2.718 2.328 ( 0.000 2.996 0.000) 2.996 2.370 ( -0.000 1.066 0.000) 1.066 2.391 ( 0.000 5.113 -0.000) 5.113 2.405 ( 0.000 1.540 0.000) 1.540 2.425 ( 0.000 -0.222 0.000) 0.222 2.466 ( -0.000 0.915 0.000) 0.915 2.482 ( 0.000 4.992 -0.000) 4.992 2.548 ( 0.000 -0.405 0.000) 0.405 2.614 ( 0.000 4.312 0.000) 4.312 2.695 ( 0.000 0.139 0.000) 0.139 2.713 ( 0.000 0.352 -0.000) 0.352 2.736 ( 0.000 1.046 0.000) 1.046 2.743 ( -0.000 3.504 -0.000) 3.504 2.795 ( 0.000 0.006 0.000) 0.006 2.826 ( 0.000 0.859 0.000) 0.859 2.898 ( 0.000 -2.844 0.000) 2.844 2.903 ( 0.000 -0.755 0.000) 0.755 2.939 ( 0.000 0.946 0.000) 0.946 2.972 ( 0.000 0.176 -0.000) 0.176 3.037 ( 0.000 -2.482 0.000) 2.482 3.151 ( 0.000 -0.899 0.000) 0.899 3.252 ( 0.000 3.152 0.000) 3.152 3.277 ( 0.000 4.641 0.000) 4.641 3.332 ( 0.000 -2.590 -0.000) 2.590 3.488 ( 0.000 -1.027 0.000) 1.027 3.674 ( 0.000 1.228 0.000) 1.228 3.778 ( -0.000 0.211 -0.000) 0.211 3.802 ( 0.000 0.167 0.000) 0.167 3.852 ( 0.000 -3.065 0.000) 3.065 3.890 ( -0.000 -4.125 -0.000) 4.125 3.890 ( 0.000 -2.679 0.000) 2.679 3.923 ( 0.000 -1.944 0.000) 1.944 3.938 ( 0.000 -5.435 0.000) 5.435 3.941 ( -0.000 -0.884 0.000) 0.884 4.006 ( 0.000 -1.817 -0.000) 1.817 4.041 ( -0.000 -2.024 0.000) 2.024 4.063 ( 0.000 -0.209 0.000) 0.209 4.081 ( 0.000 -2.507 0.000) 2.507 4.110 ( 0.000 0.988 0.000) 0.988 4.146 ( 0.000 2.760 -0.000) 2.760 4.249 ( 0.000 -0.602 0.000) 0.602 4.289 ( 0.000 1.509 0.000) 1.509 4.302 ( 0.000 3.617 0.000) 3.617 4.357 ( 0.000 -1.982 0.000) 1.982 4.391 ( 0.000 2.803 0.000) 2.803 4.422 ( 0.000 0.941 -0.000) 0.941 4.447 ( 0.000 1.744 0.000) 1.744 4.482 ( 0.000 -1.507 0.000) 1.507 4.495 ( 0.000 -2.149 -0.000) 2.149 4.542 ( 0.000 2.830 0.000) 2.830 4.618 ( -0.000 3.613 0.000) 3.613 4.622 ( 0.000 1.637 -0.000) 1.637 4.666 ( 0.000 1.824 0.000) 1.824 4.734 ( 0.000 -2.883 0.000) 2.883 4.752 ( 0.000 -3.335 0.000) 3.335 4.779 ( 0.000 -0.101 0.000) 0.101 4.836 ( 0.000 -1.517 0.000) 1.517 4.878 ( 0.000 1.029 -0.000) 1.029 4.881 ( 0.000 -4.100 -0.000) 4.100 4.893 ( 0.000 2.005 0.000) 2.005 4.922 ( 0.000 1.351 -0.000) 1.351 4.997 ( 0.000 3.649 0.000) 3.649 5.032 ( 0.000 5.788 0.000) 5.788 5.044 ( 0.000 1.038 0.000) 1.038 5.068 ( 0.000 -0.675 0.000) 0.675 5.085 ( 0.000 0.899 -0.000) 0.899 5.087 ( 0.000 0.730 0.000) 0.730 5.158 ( 0.000 2.066 0.000) 2.066 5.221 ( 0.000 -2.723 0.000) 2.723 5.224 ( -0.000 -0.270 -0.000) 0.270 5.245 ( 0.000 0.398 0.000) 0.398 5.279 ( 0.000 -3.262 0.000) 3.262 5.348 ( 0.000 2.653 0.000) 2.653 5.399 ( 0.000 -1.074 0.000) 1.074 5.419 ( 0.000 -1.273 0.000) 1.273 5.524 ( 0.000 -2.526 0.000) 2.526 5.565 ( 0.000 2.594 0.000) 2.594 5.572 ( -0.000 1.887 -0.000) 1.887 5.746 ( 0.000 1.172 -0.000) 1.172 5.793 ( 0.000 0.661 0.000) 0.661 5.800 ( 0.000 0.647 0.000) 0.647 5.866 ( 0.000 0.526 0.000) 0.526 5.873 ( 0.000 6.942 -0.000) 6.942 5.889 ( 0.000 0.289 0.000) 0.289 5.914 ( 0.000 0.744 0.000) 0.744 6.079 ( 0.000 -1.659 0.000) 1.659 6.096 ( 0.000 -1.368 0.000) 1.368 6.158 ( 0.000 -0.733 0.000) 0.733 6.185 ( 0.000 -2.648 0.000) 2.648 6.199 ( 0.000 -5.941 0.000) 5.941 6.232 ( 0.000 -1.250 0.000) 1.250 6.291 ( 0.000 2.945 0.000) 2.945 6.331 ( 0.000 0.981 0.000) 0.981 6.393 ( 0.000 -2.953 0.000) 2.953 6.418 ( 0.000 -5.107 -0.000) 5.107 6.471 ( 0.000 -1.078 0.000) 1.078 6.505 ( 0.000 0.246 0.000) 0.246 6.575 ( 0.000 -0.932 0.000) 0.932 6.647 ( 0.000 0.973 0.000) 0.973 6.671 ( 0.000 -0.233 -0.000) 0.233 6.733 ( 0.000 1.450 -0.000) 1.450 6.778 ( 0.000 -2.774 0.000) 2.774 6.862 ( 0.000 0.673 0.000) 0.673 6.900 ( 0.000 -0.550 0.000) 0.550 6.923 ( 0.000 1.484 0.000) 1.484 6.943 ( 0.000 2.288 0.000) 2.288 6.984 ( 0.000 -1.919 0.000) 1.919 7.007 ( 0.000 -0.745 0.000) 0.745 7.047 ( 0.000 2.084 0.000) 2.084 7.081 ( 0.000 2.738 0.000) 2.738 7.111 ( 0.000 0.524 -0.000) 0.524 7.192 ( 0.000 3.314 0.000) 3.314 7.241 ( 0.000 0.024 0.000) 0.024 7.270 ( 0.000 -1.576 0.000) 1.576 7.309 ( 0.000 -0.879 0.000) 0.879 7.338 ( 0.000 -1.661 0.000) 1.661 7.400 ( 0.000 -1.120 0.000) 1.120 7.416 ( 0.000 -1.353 0.000) 1.353 7.435 ( 0.000 0.252 0.000) 0.252 7.488 ( 0.000 0.625 0.000) 0.625 7.524 ( 0.000 -1.971 0.000) 1.971 7.529 ( 0.000 0.258 0.000) 0.258 7.634 ( 0.000 -3.131 0.000) 3.131 7.650 ( 0.000 3.582 0.000) 3.582 7.729 ( 0.000 -0.969 0.000) 0.969 7.787 ( 0.000 -2.484 0.000) 2.484 7.787 ( -0.000 2.361 -0.000) 2.361 7.866 ( 0.000 -2.604 0.000) 2.604 7.878 ( 0.000 1.242 0.000) 1.242 7.957 ( 0.000 1.016 -0.000) 1.016 7.997 ( -0.000 -1.697 0.000) 1.697 8.001 ( 0.000 0.117 0.000) 0.117 8.065 ( 0.000 -0.191 0.000) 0.191 8.126 ( 0.000 -0.499 0.000) 0.499 8.176 ( 0.000 -0.707 0.000) 0.707 8.213 ( 0.000 2.094 0.000) 2.094 8.237 ( 0.000 2.132 -0.000) 2.132 8.286 ( -0.000 0.447 0.000) 0.447 8.293 ( 0.000 -2.181 -0.000) 2.181 8.316 ( 0.000 4.334 -0.000) 4.334 8.458 ( 0.000 0.142 0.000) 0.142 8.530 ( 0.000 -1.390 0.000) 1.390 8.561 ( 0.000 0.546 0.000) 0.546 8.640 ( 0.000 -6.063 0.000) 6.063 8.745 ( 0.000 2.227 -0.000) 2.227 8.753 ( 0.000 -5.469 0.000) 5.469 8.809 ( 0.000 1.014 -0.000) 1.014 9.102 ( 0.000 0.358 -0.000) 0.358 9.151 ( 0.000 4.770 0.000) 4.770 9.153 ( -0.000 -0.569 -0.000) 0.569 9.299 ( 0.000 -0.739 0.000) 0.739 9.310 ( -0.000 1.772 0.000) 1.772 9.345 ( 0.000 0.551 0.000) 0.551 11.488 ( 0.000 0.028 0.000) 0.028 11.498 ( 0.000 -0.163 0.000) 0.163 11.629 ( 0.000 -0.334 0.000) 0.334 11.652 ( 0.000 -0.799 0.000) 0.799 11.718 ( 0.000 1.203 0.000) 1.203 11.745 ( 0.000 1.529 0.000) 1.529 11.787 ( 0.000 -0.756 0.000) 0.756 11.809 ( 0.000 0.070 0.000) 0.070 12.137 ( 0.000 0.033 -0.000) 0.033 12.138 ( 0.000 0.121 0.000) 0.121 12.148 ( 0.000 0.362 0.000) 0.362 12.176 ( 0.000 -0.269 0.000) 0.269 14.583 ( 0.000 1.374 0.000) 1.374 14.628 ( 0.000 3.105 0.000) 3.105 14.645 ( 0.000 -0.399 -0.000) 0.399 14.746 ( 0.000 1.740 0.000) 1.740 14.810 ( 0.000 -1.241 0.000) 1.241 14.873 ( 0.000 -0.577 0.000) 0.577 14.879 ( -0.000 -0.136 -0.000) 0.136 14.900 ( 0.000 -1.620 -0.000) 1.620 15.148 ( 0.000 0.583 0.000) 0.583 15.190 ( 0.000 0.725 0.000) 0.725 15.194 ( 0.000 -0.015 0.000) 0.015 15.213 ( 0.000 0.097 0.000) 0.097 15.462 ( 0.000 0.326 0.000) 0.326 15.521 ( 0.000 -1.136 0.000) 1.136 15.569 ( -0.000 -1.517 0.000) 1.517 15.573 ( 0.000 -1.043 -0.000) 1.043 15.976 ( 0.000 2.010 0.000) 2.010 16.059 ( 0.000 1.767 0.000) 1.767 16.158 ( 0.000 -1.528 0.000) 1.528 16.205 ( 0.000 -4.403 0.000) 4.403 16.410 ( 0.000 1.723 0.000) 1.723 16.469 ( 0.000 0.236 -0.000) 0.236 16.502 ( 0.000 -0.480 0.000) 0.480 16.570 ( 0.000 -2.351 0.000) 2.351 16.594 ( 0.000 -1.733 0.000) 1.733 16.605 ( 0.000 -3.150 -0.000) 3.150 16.772 ( -0.000 2.348 0.000) 2.348 16.791 ( 0.000 5.263 0.000) 5.263 16.896 ( 0.000 0.133 0.000) 0.133 16.942 ( 0.000 4.001 0.000) 4.001 17.109 ( 0.000 -3.224 -0.000) 3.224 17.198 ( 0.000 -3.212 0.000) 3.212 17.996 ( 0.000 0.285 0.000) 0.285 18.019 ( 0.000 -1.160 0.000) 1.160 18.112 ( 0.000 1.723 0.000) 1.723 18.152 ( 0.000 -0.356 0.000) 0.356 ======================= Grid point 14 (9/30) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( 0.000 18.228 0.000) 18.228 0.912 ( 0.000 22.440 0.000) 22.440 0.997 ( 0.000 -8.196 0.000) 8.196 1.098 ( 0.000 6.080 0.000) 6.080 1.192 ( 0.000 -4.698 0.000) 4.698 1.259 ( 0.000 -8.105 0.000) 8.105 1.323 ( 0.000 5.996 0.000) 5.996 1.330 ( 0.000 7.003 0.000) 7.003 1.463 ( 0.000 -3.453 0.000) 3.453 1.472 ( 0.000 -7.406 0.000) 7.406 1.572 ( 0.000 -0.108 0.000) 0.108 1.605 ( 0.000 -2.122 0.000) 2.122 1.675 ( 0.000 5.307 0.000) 5.307 1.701 ( 0.000 1.047 0.000) 1.047 1.764 ( 0.000 -5.219 0.000) 5.219 1.884 ( 0.000 0.169 0.000) 0.169 1.950 ( 0.000 -10.495 0.000) 10.495 1.971 ( 0.000 -2.334 0.000) 2.334 2.040 ( 0.000 -2.646 0.000) 2.646 2.053 ( 0.000 -2.092 0.000) 2.092 2.104 ( 0.000 1.453 0.000) 1.453 2.157 ( 0.000 -0.996 0.000) 0.996 2.165 ( 0.000 5.223 0.000) 5.223 2.247 ( 0.000 3.577 0.000) 3.577 2.260 ( 0.000 -2.877 0.000) 2.877 2.296 ( 0.000 -2.418 0.000) 2.418 2.307 ( 0.000 4.193 0.000) 4.193 2.357 ( 0.000 -1.062 0.000) 1.062 2.406 ( 0.000 2.677 0.000) 2.677 2.439 ( 0.000 1.507 0.000) 1.507 2.453 ( 0.000 -1.832 0.000) 1.832 2.461 ( 0.000 -0.968 0.000) 0.968 2.504 ( 0.000 -1.351 0.000) 1.351 2.508 ( 0.000 -1.331 0.000) 1.331 2.547 ( 0.000 -1.716 0.000) 1.716 2.556 ( 0.000 -1.986 0.000) 1.986 2.588 ( 0.000 2.306 0.000) 2.306 2.633 ( 0.000 -2.317 0.000) 2.317 2.679 ( 0.000 2.914 0.000) 2.914 2.721 ( 0.000 -0.821 0.000) 0.821 2.829 ( 0.000 1.941 0.000) 1.941 2.834 ( 0.000 1.571 0.000) 1.571 2.854 ( 0.000 3.090 0.000) 3.090 2.914 ( 0.000 -2.037 0.000) 2.037 2.925 ( 0.000 -0.574 0.000) 0.574 2.949 ( 0.000 -1.689 0.000) 1.689 3.045 ( 0.000 3.675 0.000) 3.675 3.073 ( 0.000 0.668 0.000) 0.668 3.302 ( 0.000 2.330 0.000) 2.330 3.350 ( 0.000 -2.405 0.000) 2.405 3.427 ( 0.000 3.659 0.000) 3.659 3.465 ( 0.000 -0.227 0.000) 0.227 3.696 ( 0.000 0.230 0.000) 0.230 3.712 ( 0.000 -1.857 0.000) 1.857 3.818 ( 0.000 1.019 0.000) 1.019 3.844 ( 0.000 0.905 0.000) 0.905 3.865 ( 0.000 1.895 0.000) 1.895 3.906 ( 0.000 -1.077 0.000) 1.077 3.916 ( 0.000 -1.736 0.000) 1.736 3.926 ( 0.000 -3.323 0.000) 3.323 3.955 ( 0.000 2.440 0.000) 2.440 4.016 ( 0.000 0.149 0.000) 0.149 4.027 ( 0.000 -3.159 0.000) 3.159 4.043 ( 0.000 -1.423 0.000) 1.423 4.102 ( 0.000 0.347 0.000) 0.347 4.119 ( 0.000 -2.678 0.000) 2.678 4.225 ( 0.000 -0.850 0.000) 0.850 4.253 ( 0.000 -3.365 0.000) 3.365 4.321 ( 0.000 1.772 0.000) 1.772 4.330 ( 0.000 2.233 0.000) 2.233 4.359 ( 0.000 -0.976 0.000) 0.976 4.375 ( 0.000 -1.116 0.000) 1.116 4.421 ( 0.000 1.581 0.000) 1.581 4.435 ( 0.000 -0.154 0.000) 0.154 4.461 ( 0.000 0.248 0.000) 0.248 4.511 ( 0.000 -4.734 0.000) 4.734 4.581 ( 0.000 1.728 0.000) 1.728 4.619 ( 0.000 -1.843 0.000) 1.843 4.630 ( 0.000 1.976 0.000) 1.976 4.684 ( 0.000 -3.273 0.000) 3.273 4.720 ( 0.000 1.992 0.000) 1.992 4.740 ( 0.000 -0.234 0.000) 0.234 4.766 ( 0.000 4.130 0.000) 4.130 4.832 ( 0.000 -2.558 0.000) 2.558 4.864 ( 0.000 0.544 0.000) 0.544 4.882 ( 0.000 -1.595 0.000) 1.595 4.909 ( 0.000 -0.302 0.000) 0.302 4.930 ( 0.000 -1.891 0.000) 1.891 5.037 ( 0.000 3.103 0.000) 3.103 5.045 ( 0.000 1.928 0.000) 1.928 5.097 ( 0.000 0.276 0.000) 0.276 5.107 ( 0.000 -0.131 0.000) 0.131 5.147 ( 0.000 2.942 0.000) 2.942 5.167 ( 0.000 -1.849 0.000) 1.849 5.212 ( 0.000 -1.095 0.000) 1.095 5.216 ( 0.000 -0.437 0.000) 0.437 5.242 ( 0.000 1.575 0.000) 1.575 5.268 ( 0.000 -0.959 0.000) 0.959 5.331 ( 0.000 5.414 0.000) 5.414 5.373 ( 0.000 -0.577 0.000) 0.577 5.446 ( 0.000 2.080 0.000) 2.080 5.477 ( 0.000 -0.020 0.000) 0.020 5.489 ( 0.000 8.018 0.000) 8.018 5.571 ( 0.000 0.234 0.000) 0.234 5.579 ( 0.000 -0.596 0.000) 0.596 5.625 ( 0.000 -5.063 0.000) 5.063 5.692 ( 0.000 1.900 0.000) 1.900 5.779 ( 0.000 -5.636 0.000) 5.636 5.805 ( 0.000 1.159 0.000) 1.159 5.842 ( 0.000 -2.485 0.000) 2.485 5.904 ( 0.000 2.970 0.000) 2.970 5.934 ( 0.000 2.840 0.000) 2.840 5.967 ( 0.000 2.165 0.000) 2.165 6.001 ( 0.000 -3.885 0.000) 3.885 6.120 ( 0.000 1.370 0.000) 1.370 6.151 ( 0.000 -1.259 0.000) 1.259 6.265 ( 0.000 2.499 0.000) 2.499 6.282 ( 0.000 1.493 0.000) 1.493 6.295 ( 0.000 0.090 0.000) 0.090 6.328 ( 0.000 -3.773 0.000) 3.773 6.390 ( 0.000 -2.308 0.000) 2.308 6.393 ( 0.000 -1.794 0.000) 1.794 6.462 ( 0.000 2.239 0.000) 2.239 6.512 ( 0.000 -2.771 0.000) 2.771 6.572 ( 0.000 3.508 0.000) 3.508 6.647 ( 0.000 -3.981 0.000) 3.981 6.688 ( 0.000 4.032 0.000) 4.032 6.745 ( 0.000 0.356 0.000) 0.356 6.777 ( 0.000 -2.826 0.000) 2.826 6.784 ( 0.000 -5.232 0.000) 5.232 6.941 ( 0.000 1.892 0.000) 1.892 6.955 ( 0.000 1.196 0.000) 1.196 6.961 ( 0.000 3.515 0.000) 3.515 6.988 ( 0.000 -0.092 0.000) 0.092 7.016 ( 0.000 -0.456 0.000) 0.456 7.018 ( 0.000 -2.266 0.000) 2.266 7.091 ( 0.000 -1.120 0.000) 1.120 7.101 ( 0.000 -1.978 0.000) 1.978 7.160 ( 0.000 -0.119 0.000) 0.119 7.192 ( 0.000 -2.921 0.000) 2.921 7.214 ( 0.000 0.436 0.000) 0.436 7.250 ( 0.000 -2.913 0.000) 2.913 7.299 ( 0.000 1.820 0.000) 1.820 7.318 ( 0.000 -0.352 0.000) 0.352 7.425 ( 0.000 2.267 0.000) 2.267 7.460 ( 0.000 -1.191 0.000) 1.191 7.502 ( 0.000 0.900 0.000) 0.900 7.508 ( 0.000 0.273 0.000) 0.273 7.621 ( 0.000 2.317 0.000) 2.317 7.648 ( 0.000 -1.139 0.000) 1.139 7.712 ( 0.000 0.701 0.000) 0.701 7.713 ( 0.000 0.108 0.000) 0.108 7.765 ( 0.000 -0.123 0.000) 0.123 7.805 ( 0.000 -3.269 0.000) 3.269 7.949 ( 0.000 3.235 0.000) 3.235 7.965 ( 0.000 0.662 0.000) 0.662 7.980 ( 0.000 -0.713 0.000) 0.713 8.008 ( 0.000 -0.817 0.000) 0.817 8.040 ( 0.000 -1.260 0.000) 1.260 8.059 ( 0.000 -1.241 0.000) 1.241 8.167 ( 0.000 0.278 0.000) 0.278 8.172 ( 0.000 0.054 0.000) 0.054 8.192 ( 0.000 1.977 0.000) 1.977 8.212 ( 0.000 -0.494 0.000) 0.494 8.222 ( 0.000 3.278 0.000) 3.278 8.289 ( 0.000 -3.135 0.000) 3.135 8.417 ( 0.000 3.682 0.000) 3.682 8.474 ( 0.000 -1.949 0.000) 1.949 8.524 ( 0.000 2.463 0.000) 2.463 8.577 ( 0.000 -2.666 0.000) 2.666 8.691 ( 0.000 0.815 0.000) 0.815 8.717 ( 0.000 -1.701 0.000) 1.701 8.791 ( 0.000 1.469 0.000) 1.469 8.814 ( 0.000 -0.806 0.000) 0.806 9.038 ( 0.000 2.209 0.000) 2.209 9.075 ( 0.000 -1.663 0.000) 1.663 9.201 ( 0.000 0.860 0.000) 0.860 9.207 ( 0.000 0.318 0.000) 0.318 9.285 ( 0.000 0.377 0.000) 0.377 9.292 ( 0.000 -0.510 0.000) 0.510 11.541 ( 0.000 0.220 0.000) 0.220 11.550 ( 0.000 -0.676 0.000) 0.676 11.589 ( 0.000 0.949 0.000) 0.949 11.607 ( 0.000 -0.930 0.000) 0.930 11.724 ( 0.000 1.118 0.000) 1.118 11.742 ( 0.000 -0.718 0.000) 0.718 11.750 ( 0.000 0.680 0.000) 0.680 11.758 ( 0.000 -0.273 0.000) 0.273 12.131 ( 0.000 0.108 0.000) 0.108 12.133 ( 0.000 -0.144 0.000) 0.144 12.151 ( 0.000 0.507 0.000) 0.507 12.159 ( 0.000 -0.299 0.000) 0.299 14.546 ( 0.000 1.798 0.000) 1.798 14.581 ( 0.000 -1.807 0.000) 1.807 14.648 ( 0.000 4.140 0.000) 4.140 14.724 ( 0.000 -3.907 0.000) 3.907 14.842 ( 0.000 0.591 0.000) 0.591 14.853 ( 0.000 -0.620 0.000) 0.620 14.899 ( 0.000 0.436 0.000) 0.436 14.900 ( 0.000 0.295 0.000) 0.295 15.130 ( 0.000 1.008 0.000) 1.008 15.153 ( 0.000 -1.462 0.000) 1.462 15.203 ( 0.000 2.348 0.000) 2.348 15.240 ( 0.000 -1.424 0.000) 1.424 15.436 ( 0.000 3.574 0.000) 3.574 15.506 ( 0.000 -3.861 0.000) 3.861 15.557 ( 0.000 0.801 0.000) 0.801 15.579 ( 0.000 -1.422 0.000) 1.422 16.016 ( 0.000 2.891 0.000) 2.891 16.070 ( 0.000 -2.903 0.000) 2.903 16.130 ( 0.000 1.336 0.000) 1.336 16.151 ( 0.000 -0.890 0.000) 0.890 16.430 ( 0.000 1.316 0.000) 1.316 16.463 ( 0.000 -1.159 0.000) 1.159 16.473 ( 0.000 0.571 0.000) 0.571 16.503 ( 0.000 -3.735 0.000) 3.735 16.594 ( 0.000 2.091 0.000) 2.091 16.630 ( 0.000 -1.387 0.000) 1.387 16.750 ( 0.000 1.228 0.000) 1.228 16.778 ( 0.000 -1.228 0.000) 1.228 17.008 ( 0.000 2.566 0.000) 2.566 17.050 ( 0.000 -1.784 0.000) 1.784 17.148 ( 0.000 0.598 0.000) 0.598 17.158 ( 0.000 -0.506 0.000) 0.506 18.048 ( 0.000 1.785 0.000) 1.785 18.079 ( 0.000 -1.489 0.000) 1.489 18.092 ( 0.000 -0.032 0.000) 0.032 18.092 ( 0.000 -0.032 0.000) 0.032 ======================= Grid point 15 (10/30) ======================= q-point: ( 0.17 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( 1.195 17.084 3.615) 17.503 0.909 ( -1.556 18.092 5.572) 18.994 0.991 ( -0.569 -6.745 -1.361) 6.904 1.083 ( 0.861 7.371 -4.834) 8.857 1.202 ( 0.267 -5.801 1.058) 5.903 1.248 ( 0.715 -5.731 -2.921) 6.472 1.301 ( 0.053 -1.738 0.694) 1.872 1.393 ( -5.815 -8.539 -1.047) 10.384 1.436 ( 5.818 6.661 -0.487) 8.858 1.511 ( 0.463 -2.561 1.610) 3.060 1.513 ( 0.952 2.556 -5.432) 6.079 1.590 ( -0.644 -5.034 -2.844) 5.818 1.689 ( -1.897 0.018 0.632) 2.000 1.720 ( -3.730 -2.671 0.135) 4.589 1.745 ( 2.295 7.372 5.265) 9.345 1.847 ( -2.433 2.194 -2.081) 3.881 1.924 ( -2.734 -5.681 1.668) 6.522 1.957 ( 0.108 -4.345 -4.394) 6.180 2.031 ( -3.025 2.080 1.207) 3.864 2.036 ( -4.549 1.505 1.860) 5.140 2.070 ( -1.904 -2.964 1.359) 3.776 2.123 ( -3.764 -3.694 3.236) 6.187 2.163 ( -2.275 2.638 0.568) 3.530 2.200 ( -3.680 0.572 -0.713) 3.792 2.221 ( -1.747 0.683 0.994) 2.123 2.279 ( 0.350 -3.839 0.285) 3.865 2.360 ( 0.774 0.930 0.593) 1.347 2.369 ( 2.073 0.365 1.902) 2.837 2.393 ( 0.741 2.887 -2.171) 3.687 2.418 ( -1.607 1.815 1.023) 2.631 2.461 ( -1.345 -1.764 2.187) 3.115 2.467 ( 2.727 -2.782 -2.781) 4.786 2.503 ( 0.197 2.715 -0.339) 2.743 2.546 ( 4.032 -1.056 -0.158) 4.171 2.555 ( 2.644 0.432 -4.552) 5.281 2.592 ( 0.792 -2.165 -1.121) 2.563 2.656 ( 2.089 0.649 3.443) 4.079 2.685 ( 0.735 0.200 0.060) 0.764 2.702 ( 5.075 -0.268 0.286) 5.090 2.720 ( 5.340 -1.266 -0.764) 5.541 2.790 ( -1.265 3.869 -1.615) 4.379 2.808 ( -1.741 1.913 -0.925) 2.747 2.886 ( -0.784 -0.200 -0.520) 0.962 2.889 ( -1.223 1.465 -0.074) 1.910 2.914 ( -0.033 -0.168 0.842) 0.859 2.961 ( 0.758 -2.858 1.381) 3.264 3.028 ( -1.795 3.967 -0.494) 4.382 3.081 ( 0.762 -0.816 -0.118) 1.123 3.311 ( 0.149 1.811 1.063) 2.106 3.343 ( -0.787 -1.055 0.060) 1.318 3.421 ( -1.068 3.092 0.069) 3.271 3.460 ( -0.498 -0.862 0.474) 1.103 3.691 ( -1.544 0.265 3.138) 3.507 3.706 ( -1.634 -1.460 2.738) 3.507 3.822 ( 0.028 0.491 -1.694) 1.763 3.846 ( 0.620 -0.842 -0.805) 1.320 3.861 ( -0.126 1.773 -0.138) 1.783 3.897 ( -0.783 0.288 0.650) 1.057 3.908 ( -0.803 -2.405 -1.187) 2.800 3.924 ( -0.846 -1.380 0.653) 1.746 3.958 ( -1.500 -0.759 2.110) 2.698 3.993 ( -2.624 -3.021 0.550) 4.039 4.018 ( -0.019 -0.165 -0.707) 0.726 4.032 ( -0.180 -0.896 -0.783) 1.204 4.074 ( -1.987 0.229 -1.273) 2.371 4.092 ( -1.134 -1.154 0.210) 1.632 4.226 ( 0.237 -0.252 -1.164) 1.214 4.265 ( 1.389 -3.661 -0.480) 3.945 4.317 ( -0.474 2.031 -0.157) 2.092 4.337 ( -1.497 -0.292 -1.570) 2.189 4.378 ( 2.626 1.451 1.666) 3.432 4.390 ( 0.960 1.235 0.972) 1.842 4.419 ( 1.199 0.874 -1.901) 2.411 4.445 ( 1.046 -0.329 0.177) 1.111 4.495 ( 2.353 -1.103 -0.059) 2.600 4.506 ( -0.535 -2.727 -0.687) 2.863 4.578 ( 0.427 1.725 0.129) 1.782 4.606 ( -0.158 -0.275 -1.761) 1.789 4.643 ( 1.085 0.380 1.784) 2.122 4.677 ( -0.513 -2.475 1.483) 2.931 4.713 ( -2.437 1.590 -1.509) 3.277 4.724 ( -0.818 -0.168 -1.331) 1.571 4.760 ( 0.216 2.765 0.366) 2.798 4.818 ( -1.295 -2.160 0.543) 2.576 4.863 ( -0.931 0.745 0.440) 1.271 4.898 ( 0.237 -2.082 1.236) 2.433 4.903 ( 0.142 0.377 -0.045) 0.406 4.937 ( 1.139 -2.653 -1.642) 3.322 5.019 ( -0.979 2.912 -1.149) 3.280 5.049 ( 0.283 0.430 -0.588) 0.782 5.084 ( -1.466 1.313 -1.196) 2.303 5.102 ( 0.019 -0.288 -0.546) 0.618 5.147 ( 0.853 2.126 -0.539) 2.354 5.162 ( -0.050 -0.135 -0.318) 0.349 5.176 ( -1.704 0.597 -2.218) 2.860 5.201 ( -1.229 -1.906 -0.065) 2.269 5.236 ( -2.043 3.359 -0.302) 3.943 5.260 ( -0.752 -0.180 2.307) 2.433 5.354 ( 0.687 1.670 2.380) 2.987 5.373 ( -0.488 1.674 0.317) 1.773 5.433 ( -2.131 2.154 -0.379) 3.054 5.462 ( 0.135 2.019 -1.321) 2.416 5.511 ( -1.761 0.752 1.586) 2.487 5.518 ( -0.467 -0.566 -0.657) 0.985 5.614 ( 2.425 1.105 1.384) 3.003 5.648 ( 1.899 1.015 2.356) 3.192 5.717 ( 1.002 -2.253 -1.116) 2.707 5.782 ( 2.221 -5.591 1.075) 6.111 5.849 ( 2.747 1.297 0.447) 3.070 5.873 ( 1.641 0.009 2.451) 2.950 5.909 ( 0.390 2.792 0.305) 2.836 5.928 ( 0.592 2.433 -1.407) 2.872 5.978 ( 1.472 0.495 -0.587) 1.660 6.005 ( -0.012 -4.005 1.331) 4.220 6.129 ( 0.458 1.783 1.428) 2.330 6.162 ( 1.134 -1.069 -0.661) 1.693 6.221 ( -2.326 2.687 -2.816) 4.535 6.266 ( -1.316 -1.016 -0.961) 1.920 6.308 ( 0.460 0.230 0.007) 0.514 6.325 ( -0.304 -3.579 -0.662) 3.652 6.368 ( -1.858 -0.614 0.399) 1.997 6.399 ( 0.425 -2.905 -1.426) 3.264 6.457 ( -1.084 2.204 1.488) 2.872 6.502 ( -1.126 -2.351 0.761) 2.716 6.583 ( 1.823 2.511 -0.782) 3.200 6.644 ( 0.529 -3.699 -0.904) 3.845 6.675 ( -0.370 4.239 -2.118) 4.753 6.741 ( -0.226 1.268 -0.571) 1.409 6.757 ( -1.522 -2.970 0.028) 3.337 6.810 ( 0.965 -4.448 1.218) 4.712 6.944 ( -0.291 1.015 0.026) 1.056 6.951 ( -0.335 0.698 0.420) 0.880 6.967 ( 0.930 1.777 -0.731) 2.135 6.993 ( 0.181 2.602 0.237) 2.619 7.007 ( -0.257 -1.084 -0.767) 1.353 7.030 ( 0.935 -1.103 -0.568) 1.554 7.093 ( 0.459 0.612 0.789) 1.098 7.127 ( 1.996 -2.826 -0.226) 3.467 7.159 ( 0.286 1.059 -1.556) 1.904 7.201 ( 1.415 -3.129 -0.790) 3.524 7.223 ( 0.785 0.069 2.837) 2.944 7.257 ( 1.035 -3.002 3.274) 4.561 7.321 ( 0.388 0.552 0.643) 0.932 7.328 ( 0.807 -0.321 0.713) 1.124 7.418 ( 0.141 2.316 -2.086) 3.121 7.453 ( 0.394 -0.998 -2.872) 3.066 7.513 ( 0.093 1.251 0.394) 1.315 7.519 ( 0.937 0.646 1.264) 1.701 7.586 ( -3.767 1.141 0.676) 3.993 7.611 ( -2.841 -1.931 -2.143) 4.049 7.696 ( -1.180 1.037 1.550) 2.207 7.711 ( -1.274 -0.585 1.814) 2.293 7.776 ( 0.361 0.918 -1.458) 1.760 7.792 ( 0.764 -0.816 0.076) 1.120 7.912 ( -3.103 2.866 -0.040) 4.224 7.967 ( -1.521 -2.009 -1.865) 3.135 7.973 ( 0.509 0.520 -0.870) 1.134 7.999 ( -1.223 -2.446 -0.137) 2.738 8.041 ( 0.225 1.474 0.634) 1.620 8.059 ( -0.407 -0.406 0.907) 1.073 8.144 ( -1.524 1.572 1.059) 2.432 8.173 ( -1.879 -1.423 2.133) 3.179 8.197 ( 0.932 2.217 -2.089) 3.185 8.228 ( 1.764 -1.533 -2.727) 3.592 8.248 ( 2.017 1.050 0.512) 2.332 8.280 ( 0.805 -1.896 0.709) 2.179 8.432 ( 0.181 3.326 0.835) 3.434 8.469 ( -0.513 -0.137 -0.565) 0.775 8.524 ( 0.059 1.120 -0.160) 1.133 8.571 ( -0.883 -3.026 0.588) 3.206 8.636 ( -3.703 2.484 -0.763) 4.524 8.694 ( -2.613 -3.743 -0.019) 4.565 8.796 ( 0.038 0.817 0.810) 1.151 8.806 ( -0.985 -0.244 0.762) 1.269 9.066 ( 2.248 1.883 1.080) 3.125 9.098 ( 1.531 -1.627 0.996) 2.446 9.215 ( 1.895 1.629 -1.718) 3.032 9.234 ( 3.131 -0.158 -2.125) 3.787 9.298 ( 1.182 0.382 0.556) 1.361 9.305 ( 0.947 -0.469 1.178) 1.583 11.524 ( -1.502 0.210 -0.109) 1.521 11.531 ( -1.708 -0.437 0.051) 1.764 11.604 ( 1.130 0.581 0.094) 1.274 11.618 ( 0.798 -0.891 0.319) 1.237 11.731 ( 0.607 1.317 -0.003) 1.450 11.748 ( 0.829 0.236 -0.032) 0.863 11.760 ( 0.685 -0.255 -0.253) 0.773 11.767 ( 1.222 -0.382 0.022) 1.280 12.133 ( 0.243 0.068 0.079) 0.265 12.135 ( 0.181 -0.080 -0.007) 0.198 12.152 ( 0.133 0.578 -0.078) 0.599 12.160 ( 0.211 -0.374 0.019) 0.429 14.560 ( 1.465 1.975 0.243) 2.471 14.591 ( 1.492 -1.073 -1.017) 2.100 14.666 ( 1.349 3.133 1.401) 3.688 14.731 ( 0.894 -3.278 -0.489) 3.433 14.834 ( -0.779 0.741 -0.829) 1.358 14.849 ( -0.223 -0.888 0.019) 0.916 14.887 ( -0.522 0.712 -1.205) 1.494 14.894 ( -0.031 -0.054 -1.231) 1.232 15.144 ( 0.678 1.282 1.693) 2.230 15.170 ( 0.656 -1.403 1.681) 2.286 15.201 ( -0.407 2.069 0.388) 2.144 15.235 ( -0.447 -1.451 -0.413) 1.573 15.456 ( 1.153 1.545 1.788) 2.629 15.497 ( -0.565 -2.287 -0.836) 2.500 15.556 ( -0.408 0.117 0.623) 0.754 15.572 ( -0.629 -1.361 -0.123) 1.504 16.018 ( 0.231 3.050 0.205) 3.065 16.074 ( 0.536 -2.394 -0.189) 2.461 16.127 ( -0.436 0.681 0.123) 0.818 16.151 ( -0.090 -1.382 -0.205) 1.400 16.435 ( 0.620 1.414 -0.201) 1.557 16.464 ( 0.876 -0.672 -1.694) 2.022 16.477 ( -0.121 0.199 1.425) 1.444 16.506 ( 0.156 -3.535 0.306) 3.551 16.583 ( -1.103 1.864 0.119) 2.169 16.619 ( -1.103 -1.618 -0.383) 1.996 16.762 ( 1.401 1.993 -0.013) 2.436 16.799 ( 1.980 -1.658 0.363) 2.608 16.997 ( -1.381 2.410 0.491) 2.821 17.020 ( -2.866 0.730 0.326) 2.976 17.131 ( -1.499 -0.121 -1.289) 1.980 17.151 ( -0.841 -2.042 0.051) 2.209 18.024 ( -1.569 1.567 -0.382) 2.250 18.046 ( -1.633 -0.858 -0.684) 1.967 18.110 ( 1.298 0.533 0.170) 1.413 18.124 ( 1.652 -0.888 -0.118) 1.879 ======================= Grid point 16 (11/30) ======================= q-point: ( 0.33 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( 6.409 11.653 6.260) 14.699 0.926 ( -0.588 10.418 3.306) 10.946 0.999 ( 1.740 -2.859 4.232) 5.396 1.062 ( -1.489 -1.755 -1.815) 2.931 1.202 ( -0.724 -3.859 -0.850) 4.017 1.226 ( -0.710 -2.000 -4.168) 4.677 1.296 ( -0.220 -1.153 -4.263) 4.422 1.328 ( -0.857 -3.562 -2.276) 4.313 1.438 ( 3.444 -1.169 -9.699) 10.359 1.462 ( -0.161 -1.698 -5.872) 6.115 1.575 ( -1.543 2.166 8.989) 9.374 1.595 ( -3.859 2.262 3.576) 5.727 1.646 ( -1.908 -1.236 0.359) 2.302 1.658 ( -0.239 -4.028 1.633) 4.353 1.762 ( -1.093 4.274 -3.810) 5.829 1.818 ( -1.277 0.619 1.531) 2.087 1.891 ( -1.196 -2.256 -1.512) 2.968 1.930 ( -6.558 4.366 3.772) 8.735 1.937 ( 0.830 -5.690 -3.409) 6.685 1.988 ( -5.461 -0.720 4.415) 7.059 2.034 ( -4.519 -1.335 3.906) 6.120 2.093 ( -0.497 -4.292 1.543) 4.588 2.128 ( -1.358 0.918 -0.029) 1.640 2.156 ( 0.279 -1.811 -0.753) 1.981 2.253 ( 2.173 2.396 2.178) 3.900 2.286 ( 1.389 -0.927 -0.750) 1.831 2.380 ( 0.988 0.845 -0.955) 1.613 2.389 ( -0.230 1.922 -1.341) 2.355 2.397 ( -0.082 1.883 1.569) 2.452 2.415 ( 0.839 2.211 0.867) 2.519 2.446 ( -2.037 2.102 2.713) 3.991 2.473 ( 1.211 -0.239 -3.074) 3.313 2.531 ( 0.075 -0.570 -1.438) 1.549 2.549 ( -0.987 1.351 -0.384) 1.717 2.564 ( 1.774 0.917 -5.025) 5.407 2.615 ( 3.139 -2.959 0.211) 4.319 2.685 ( 0.767 0.932 -0.668) 1.380 2.701 ( 1.096 -1.724 0.440) 2.090 2.743 ( -0.977 1.930 0.866) 2.330 2.762 ( 0.496 1.211 -0.145) 1.317 2.825 ( 2.540 2.556 -1.797) 4.026 2.847 ( 1.471 1.073 1.594) 2.419 2.862 ( 0.654 -1.777 -3.391) 3.883 2.883 ( 5.160 -0.244 1.406) 5.353 2.933 ( -0.000 2.494 1.083) 2.720 2.981 ( 0.526 -1.370 0.576) 1.576 2.988 ( -2.103 2.869 0.971) 3.687 3.086 ( -0.584 -4.466 0.403) 4.522 3.299 ( -2.082 1.391 0.789) 2.625 3.324 ( -2.166 -1.136 1.043) 2.659 3.402 ( -0.121 4.857 -1.003) 4.961 3.461 ( 0.149 -1.647 0.355) 1.691 3.694 ( -0.419 0.430 2.689) 2.755 3.709 ( 0.038 -1.056 4.133) 4.266 3.798 ( -0.952 -0.862 -1.073) 1.674 3.828 ( -1.807 -2.719 -0.540) 3.309 3.862 ( -0.082 -0.384 -0.812) 0.902 3.873 ( -2.143 -0.276 -1.161) 2.453 3.890 ( -0.828 0.451 0.471) 1.054 3.914 ( -0.012 -1.608 -1.523) 2.215 3.927 ( -2.153 -1.488 -0.080) 2.618 3.946 ( -1.822 -3.223 0.073) 3.703 4.024 ( -0.186 0.307 0.701) 0.788 4.042 ( 1.549 -0.833 -0.063) 1.759 4.060 ( 0.875 0.557 -0.529) 1.164 4.083 ( -0.895 -1.748 2.477) 3.161 4.225 ( 0.107 3.113 0.058) 3.115 4.286 ( -0.511 -0.353 0.368) 0.722 4.290 ( -1.456 -1.725 -0.021) 2.257 4.312 ( 0.579 -0.810 -1.638) 1.917 4.382 ( -0.688 2.193 -1.887) 2.974 4.424 ( 0.416 0.995 0.018) 1.078 4.433 ( 0.265 0.353 -0.165) 0.472 4.452 ( 1.039 1.572 1.001) 2.133 4.487 ( -0.905 0.081 -0.622) 1.101 4.518 ( 0.632 -1.218 -3.055) 3.348 4.600 ( 0.217 0.156 1.461) 1.485 4.615 ( 1.305 1.103 -1.495) 2.271 4.646 ( -0.660 1.822 -2.132) 2.881 4.672 ( -1.111 -0.879 0.844) 1.649 4.676 ( -0.040 -0.651 1.077) 1.259 4.718 ( 1.954 -2.225 -0.760) 3.057 4.774 ( 1.492 1.610 -0.605) 2.277 4.812 ( -0.247 -1.466 0.653) 1.624 4.840 ( -1.242 1.109 0.165) 1.673 4.889 ( -1.707 -2.094 1.644) 3.163 4.925 ( 1.283 0.040 0.927) 1.583 4.940 ( -0.219 -1.015 0.414) 1.118 5.007 ( 0.878 1.896 -1.941) 2.852 5.041 ( -0.140 -1.158 -0.995) 1.533 5.064 ( -0.835 1.973 1.620) 2.686 5.096 ( -0.511 -1.023 -0.542) 1.265 5.133 ( -1.077 1.497 -2.105) 2.799 5.156 ( -0.391 1.930 -0.458) 2.022 5.170 ( -0.216 0.456 -1.214) 1.315 5.180 ( -0.288 -1.605 0.311) 1.660 5.194 ( -1.071 2.728 0.216) 2.939 5.260 ( -1.108 -2.201 0.072) 2.465 5.344 ( -2.793 3.113 0.523) 4.214 5.366 ( -2.013 -1.533 1.375) 2.880 5.398 ( 0.873 3.404 0.410) 3.538 5.451 ( -0.345 3.180 -0.824) 3.303 5.482 ( -0.887 -1.653 -0.405) 1.919 5.546 ( 1.080 -2.880 0.853) 3.191 5.650 ( 1.733 6.521 -1.045) 6.827 5.717 ( 3.152 1.717 4.447) 5.715 5.754 ( 2.637 -2.303 2.571) 4.343 5.814 ( 1.357 -6.157 -0.921) 6.371 5.868 ( -1.671 1.352 -0.663) 2.250 5.886 ( -0.962 0.342 0.822) 1.311 5.927 ( 0.989 3.044 0.606) 3.258 5.961 ( 4.356 1.877 -2.340) 5.289 6.009 ( 1.623 -2.050 -0.778) 2.728 6.023 ( 0.903 -2.424 2.954) 3.927 6.144 ( -0.780 1.982 2.055) 2.960 6.160 ( 0.072 0.404 -2.301) 2.338 6.179 ( -0.708 0.710 -1.251) 1.603 6.235 ( -1.419 -2.793 -0.992) 3.286 6.306 ( -1.615 -3.694 1.203) 4.207 6.314 ( 0.252 -1.607 0.908) 1.863 6.343 ( -0.564 0.948 -1.728) 2.050 6.379 ( -1.042 -2.316 -3.061) 3.977 6.454 ( -0.008 1.628 1.198) 2.021 6.494 ( -0.448 -2.023 0.647) 2.171 6.612 ( 1.203 2.357 -0.090) 2.648 6.647 ( 0.567 1.089 -0.811) 1.472 6.667 ( 0.774 -0.565 -2.404) 2.588 6.726 ( -1.518 -3.812 -0.438) 4.126 6.746 ( 1.303 3.353 0.097) 3.599 6.825 ( 0.119 -4.543 1.163) 4.691 6.928 ( -1.495 1.732 0.319) 2.310 6.944 ( -0.526 0.302 0.387) 0.719 6.976 ( -0.094 0.911 0.169) 0.931 6.987 ( -0.956 -0.008 0.032) 0.956 7.006 ( 1.242 2.683 -1.004) 3.122 7.048 ( 1.381 -1.310 -0.382) 1.941 7.116 ( 1.305 2.492 0.979) 2.978 7.142 ( 0.193 0.406 0.338) 0.562 7.190 ( 2.575 -1.216 -0.140) 2.851 7.217 ( 0.945 -2.451 -0.336) 2.648 7.260 ( 0.323 0.678 3.244) 3.330 7.300 ( 0.821 -2.404 1.954) 3.205 7.319 ( -0.543 0.822 -1.397) 1.709 7.338 ( 0.606 -1.726 -0.002) 1.829 7.410 ( 0.123 1.969 -0.251) 1.988 7.448 ( 1.237 -1.812 -2.582) 3.388 7.484 ( -2.715 1.885 -1.215) 3.521 7.529 ( -0.482 0.560 0.267) 0.786 7.542 ( -2.259 -0.411 -0.005) 2.296 7.571 ( 0.431 -2.550 0.393) 2.616 7.702 ( 0.760 0.460 0.785) 1.186 7.709 ( 0.047 -0.384 1.518) 1.567 7.767 ( -1.434 2.473 0.792) 2.967 7.810 ( 0.845 -1.026 -0.746) 1.524 7.863 ( -2.392 1.511 0.311) 2.847 7.907 ( -2.507 -2.130 -1.659) 3.685 7.972 ( 0.035 0.726 -0.442) 0.850 7.986 ( -0.045 -0.392 -1.263) 1.324 8.040 ( -0.636 1.775 0.376) 1.922 8.062 ( -0.024 -0.545 1.074) 1.204 8.128 ( -0.978 0.937 0.447) 1.426 8.152 ( -0.809 -1.747 -0.334) 1.954 8.210 ( 1.622 1.451 -0.587) 2.254 8.237 ( 1.464 -1.827 -1.699) 2.893 8.274 ( 0.106 0.960 1.375) 1.680 8.300 ( -0.085 -1.375 0.218) 1.395 8.417 ( -1.767 3.960 0.559) 4.372 8.458 ( -0.572 -0.536 -0.166) 0.801 8.519 ( -0.318 0.618 -0.173) 0.716 8.557 ( -1.217 -3.463 0.486) 3.703 8.592 ( -0.845 2.313 -0.727) 2.568 8.658 ( -1.076 -4.661 0.260) 4.791 8.791 ( -0.749 1.160 0.403) 1.438 8.806 ( 0.198 -0.473 0.513) 0.725 9.106 ( 1.217 1.178 0.826) 1.884 9.125 ( 0.801 -0.823 1.156) 1.630 9.230 ( 1.071 2.742 -1.910) 3.510 9.266 ( 2.114 -1.142 -2.042) 3.153 9.325 ( 1.121 0.838 0.955) 1.694 9.335 ( 1.376 -0.191 0.837) 1.622 11.500 ( -1.056 0.177 -0.089) 1.075 11.505 ( -1.222 -0.285 0.095) 1.259 11.621 ( 0.692 0.283 0.096) 0.754 11.631 ( 0.493 -0.830 0.240) 0.994 11.741 ( 0.527 1.526 -0.150) 1.621 11.764 ( 0.813 -0.346 -0.032) 0.884 11.769 ( 0.658 0.740 -0.242) 1.020 11.790 ( 1.111 -0.829 0.105) 1.390 12.137 ( 0.128 0.057 -0.028) 0.143 12.138 ( 0.171 -0.009 -0.035) 0.175 12.155 ( 0.228 0.611 0.018) 0.653 12.165 ( 0.256 -0.485 0.076) 0.554 14.593 ( 1.969 1.690 -0.078) 2.596 14.614 ( 1.599 -0.265 -0.194) 1.632 14.697 ( 0.856 2.634 0.345) 2.791 14.747 ( 0.991 -1.810 0.788) 2.209 14.810 ( -0.826 1.286 -1.549) 2.176 14.848 ( 0.027 -2.212 0.155) 2.218 14.876 ( -0.219 0.336 -0.455) 0.606 14.883 ( -0.359 -0.365 -0.903) 1.038 15.162 ( 0.216 1.400 0.796) 1.625 15.185 ( 0.224 -0.951 0.454) 1.077 15.200 ( -0.197 1.308 1.197) 1.784 15.221 ( -0.685 -0.868 -0.287) 1.142 15.479 ( -0.054 0.116 -0.360) 0.382 15.486 ( 0.374 -0.783 0.903) 1.252 15.551 ( -0.433 -0.417 0.184) 0.628 15.559 ( -0.790 -1.212 0.106) 1.450 16.025 ( 0.240 3.368 0.272) 3.388 16.085 ( 0.820 -1.357 -0.104) 1.589 16.116 ( -0.779 -0.565 -0.036) 0.963 16.145 ( -0.328 -2.063 -0.259) 2.105 16.445 ( 0.636 1.901 -0.325) 2.031 16.471 ( 1.288 0.081 -1.914) 2.309 16.484 ( -0.260 -0.423 1.571) 1.648 16.511 ( 0.099 -3.220 0.366) 3.242 16.567 ( -0.737 0.821 0.399) 1.174 16.592 ( -1.516 -1.694 -0.333) 2.298 16.793 ( 2.174 2.639 -0.305) 3.433 16.834 ( 1.432 -1.403 0.161) 2.011 16.960 ( -2.559 3.652 -0.153) 4.462 16.998 ( -0.366 1.207 2.345) 2.663 17.084 ( -2.369 -0.329 -2.173) 3.231 17.133 ( -1.038 -4.023 -0.082) 4.156 18.004 ( -0.454 0.955 -0.160) 1.069 18.019 ( -1.045 -0.672 -0.351) 1.291 18.128 ( 0.689 0.704 0.012) 0.985 18.141 ( 0.509 -0.631 -0.166) 0.827 ======================= Grid point 17 (12/30) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 25 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( 0.000 6.259 0.000) 6.259 0.979 ( 0.000 5.023 0.000) 5.023 0.980 ( -0.000 -0.108 -0.000) 0.108 1.099 ( -0.000 -5.208 -0.000) 5.208 1.136 ( 0.000 1.777 0.000) 1.777 1.223 ( 0.000 -4.147 0.000) 4.147 1.254 ( 0.000 4.209 -0.000) 4.209 1.289 ( 0.000 -5.353 0.000) 5.353 1.464 ( -0.000 0.104 0.000) 0.104 1.480 ( 0.000 -1.160 -0.000) 1.160 1.530 ( 0.000 3.365 0.000) 3.365 1.557 ( 0.000 0.932 0.000) 0.932 1.658 ( -0.000 -0.815 0.000) 0.815 1.663 ( 0.000 -3.747 -0.000) 3.747 1.746 ( -0.000 3.093 0.000) 3.093 1.797 ( 0.000 -0.107 0.000) 0.107 1.859 ( 0.000 -0.503 -0.000) 0.503 1.902 ( 0.000 0.931 0.000) 0.931 1.930 ( 0.000 -7.404 0.000) 7.404 1.949 ( 0.000 -3.441 0.000) 3.441 2.009 ( 0.000 1.156 -0.000) 1.156 2.081 ( 0.000 -2.715 0.000) 2.715 2.140 ( 0.000 -2.432 0.000) 2.432 2.150 ( 0.000 -1.607 0.000) 1.607 2.298 ( -0.000 1.799 -0.000) 1.799 2.303 ( 0.000 1.148 0.000) 1.148 2.372 ( 0.000 1.959 0.000) 1.959 2.388 ( 0.000 0.735 0.000) 0.735 2.411 ( 0.000 -0.775 0.000) 0.775 2.413 ( -0.000 0.126 -0.000) 0.126 2.438 ( 0.000 7.728 0.000) 7.728 2.480 ( 0.000 4.267 -0.000) 4.267 2.503 ( -0.000 1.744 0.000) 1.744 2.538 ( -0.000 -1.203 -0.000) 1.203 2.577 ( 0.000 4.150 -0.000) 4.150 2.638 ( 0.000 -3.898 0.000) 3.898 2.691 ( -0.000 -1.576 0.000) 1.576 2.692 ( 0.000 0.182 -0.000) 0.182 2.760 ( 0.000 1.415 0.000) 1.415 2.774 ( 0.000 1.648 -0.000) 1.648 2.813 ( 0.000 0.147 0.000) 0.147 2.840 ( 0.000 -3.173 -0.000) 3.173 2.890 ( 0.000 5.118 0.000) 5.118 2.932 ( 0.000 5.035 0.000) 5.035 2.958 ( 0.000 -2.302 -0.000) 2.302 2.973 ( 0.000 2.082 -0.000) 2.082 2.991 ( 0.000 -1.799 0.000) 1.799 3.074 ( 0.000 -6.977 0.000) 6.977 3.278 ( 0.000 1.220 0.000) 1.220 3.300 ( 0.000 -1.138 0.000) 1.138 3.400 ( 0.000 5.851 -0.000) 5.851 3.464 ( 0.000 -1.595 0.000) 1.595 3.703 ( 0.000 1.726 0.000) 1.726 3.744 ( -0.000 -2.815 -0.000) 2.815 3.789 ( 0.000 -1.820 0.000) 1.820 3.796 ( 0.000 -2.847 0.000) 2.847 3.845 ( 0.000 -0.206 -0.000) 0.206 3.852 ( -0.000 -1.015 0.000) 1.015 3.878 ( 0.000 -0.307 0.000) 0.307 3.895 ( 0.000 -0.479 0.000) 0.479 3.916 ( 0.000 -1.831 0.000) 1.831 3.937 ( 0.000 -3.612 -0.000) 3.612 4.024 ( 0.000 1.894 0.000) 1.894 4.058 ( 0.000 -0.748 -0.000) 0.748 4.073 ( 0.000 -0.129 -0.000) 0.129 4.088 ( 0.000 -2.152 0.000) 2.152 4.229 ( 0.000 4.707 0.000) 4.707 4.246 ( 0.000 1.167 0.000) 1.167 4.305 ( 0.000 -2.942 -0.000) 2.942 4.314 ( -0.000 -1.511 0.000) 1.511 4.362 ( 0.000 3.429 0.000) 3.429 4.419 ( 0.000 -1.765 0.000) 1.765 4.441 ( 0.000 2.024 0.000) 2.024 4.467 ( 0.000 -0.805 -0.000) 0.805 4.485 ( 0.000 1.967 0.000) 1.967 4.486 ( -0.000 2.405 -0.000) 2.405 4.595 ( 0.000 1.839 0.000) 1.839 4.613 ( 0.000 -2.478 0.000) 2.478 4.657 ( -0.000 -1.169 0.000) 1.169 4.662 ( 0.000 -3.421 0.000) 3.421 4.691 ( 0.000 3.399 0.000) 3.399 4.730 ( 0.000 -0.615 0.000) 0.615 4.794 ( 0.000 1.710 0.000) 1.710 4.810 ( 0.000 -0.838 -0.000) 0.838 4.832 ( 0.000 -0.317 -0.000) 0.317 4.876 ( 0.000 -2.882 0.000) 2.882 4.939 ( -0.000 1.790 0.000) 1.790 4.942 ( 0.000 2.084 -0.000) 2.084 5.018 ( 0.000 0.238 -0.000) 0.238 5.033 ( -0.000 -1.268 -0.000) 1.268 5.068 ( 0.000 0.523 0.000) 0.523 5.086 ( 0.000 -0.740 0.000) 0.740 5.117 ( 0.000 2.203 0.000) 2.203 5.130 ( -0.000 3.156 0.000) 3.156 5.171 ( 0.000 -2.021 0.000) 2.021 5.177 ( 0.000 -4.468 0.000) 4.468 5.198 ( 0.000 1.820 0.000) 1.820 5.231 ( 0.000 -1.814 0.000) 1.814 5.314 ( 0.000 5.425 0.000) 5.425 5.370 ( 0.000 -1.919 -0.000) 1.919 5.402 ( 0.000 2.554 0.000) 2.554 5.450 ( 0.000 5.532 0.000) 5.532 5.469 ( 0.000 -3.362 0.000) 3.362 5.558 ( 0.000 -4.365 0.000) 4.365 5.663 ( 0.000 8.465 0.000) 8.465 5.781 ( 0.000 2.039 -0.000) 2.039 5.801 ( 0.000 0.057 0.000) 0.057 5.823 ( -0.000 1.682 0.000) 1.682 5.832 ( 0.000 -6.472 0.000) 6.472 5.861 ( 0.000 -2.629 0.000) 2.629 5.940 ( 0.000 2.359 -0.000) 2.359 5.996 ( 0.000 1.019 0.000) 1.019 6.020 ( 0.000 0.196 0.000) 0.196 6.046 ( 0.000 -1.184 0.000) 1.184 6.144 ( 0.000 -1.013 -0.000) 1.013 6.151 ( -0.000 -0.190 0.000) 0.190 6.167 ( 0.000 1.043 -0.000) 1.043 6.215 ( 0.000 -2.406 0.000) 2.406 6.299 ( 0.000 -3.308 0.000) 3.308 6.320 ( 0.000 -2.093 0.000) 2.093 6.340 ( 0.000 -0.308 0.000) 0.308 6.342 ( -0.000 -0.047 -0.000) 0.047 6.462 ( 0.000 0.677 0.000) 0.677 6.492 ( 0.000 -1.759 0.000) 1.759 6.619 ( 0.000 4.453 0.000) 4.453 6.656 ( 0.000 0.078 0.000) 0.078 6.659 ( 0.000 -0.750 -0.000) 0.750 6.710 ( 0.000 -4.469 -0.000) 4.469 6.767 ( 0.000 2.787 0.000) 2.787 6.832 ( 0.000 -3.698 -0.000) 3.698 6.913 ( 0.000 1.903 0.000) 1.903 6.941 ( 0.000 0.252 0.000) 0.252 6.973 ( 0.000 0.565 0.000) 0.565 6.977 ( 0.000 -0.914 0.000) 0.914 7.016 ( 0.000 3.425 0.000) 3.425 7.061 ( 0.000 -1.263 0.000) 1.263 7.137 ( -0.000 2.517 0.000) 2.517 7.141 ( 0.000 2.266 -0.000) 2.266 7.214 ( 0.000 -1.038 -0.000) 1.038 7.225 ( 0.000 -2.442 0.000) 2.442 7.275 ( 0.000 3.807 -0.000) 3.807 7.294 ( 0.000 -0.516 0.000) 0.516 7.313 ( 0.000 -1.153 0.000) 1.153 7.349 ( 0.000 -3.443 0.000) 3.443 7.415 ( 0.000 0.800 0.000) 0.800 7.447 ( 0.000 -1.333 0.000) 1.333 7.454 ( 0.000 0.233 -0.000) 0.233 7.508 ( 0.000 -3.065 0.000) 3.065 7.538 ( 0.000 2.662 0.000) 2.662 7.582 ( 0.000 -2.003 0.000) 2.003 7.715 ( 0.000 -0.118 0.000) 0.118 7.734 ( -0.000 4.573 -0.000) 4.573 7.735 ( 0.000 -2.508 0.000) 2.508 7.808 ( 0.000 -3.417 0.000) 3.417 7.842 ( 0.000 3.139 0.000) 3.139 7.885 ( 0.000 -1.139 0.000) 1.139 7.972 ( 0.000 0.819 -0.000) 0.819 7.979 ( 0.000 -0.188 0.000) 0.188 8.034 ( 0.000 2.587 0.000) 2.587 8.068 ( 0.000 -0.593 0.000) 0.593 8.120 ( 0.000 0.266 0.000) 0.266 8.143 ( 0.000 -1.966 0.000) 1.966 8.230 ( 0.000 0.215 0.000) 0.215 8.247 ( 0.000 -2.038 0.000) 2.038 8.273 ( 0.000 1.672 -0.000) 1.672 8.293 ( 0.000 -0.207 0.000) 0.207 8.401 ( 0.000 3.926 0.000) 3.926 8.451 ( 0.000 -1.362 0.000) 1.362 8.517 ( 0.000 0.100 0.000) 0.100 8.544 ( 0.000 -3.415 -0.000) 3.415 8.585 ( 0.000 2.362 0.000) 2.362 8.653 ( 0.000 -4.881 0.000) 4.881 8.785 ( 0.000 1.848 0.000) 1.848 8.810 ( 0.000 -0.791 0.000) 0.791 9.117 ( 0.000 1.115 -0.000) 1.115 9.138 ( 0.000 -1.055 0.000) 1.055 9.231 ( 0.000 3.520 0.000) 3.520 9.278 ( 0.000 -1.669 0.000) 1.669 9.339 ( -0.000 1.195 0.000) 1.195 9.351 ( 0.000 -0.083 -0.000) 0.083 11.490 ( 0.000 0.167 0.000) 0.167 11.494 ( 0.000 -0.232 0.000) 0.232 11.627 ( 0.000 0.178 0.000) 0.178 11.636 ( 0.000 -0.793 0.000) 0.793 11.745 ( 0.000 1.544 0.000) 1.544 11.770 ( 0.000 -1.142 0.000) 1.142 11.776 ( 0.000 1.672 0.000) 1.672 11.801 ( 0.000 -0.926 0.000) 0.926 12.138 ( 0.000 0.082 -0.000) 0.082 12.139 ( 0.000 -0.010 0.000) 0.010 12.157 ( 0.000 0.607 0.000) 0.607 12.168 ( 0.000 -0.526 0.000) 0.526 14.611 ( 0.000 1.476 -0.000) 1.476 14.633 ( 0.000 -0.895 0.000) 0.895 14.698 ( 0.000 4.121 0.000) 4.121 14.768 ( 0.000 -3.221 0.000) 3.221 14.791 ( 0.000 3.076 -0.000) 3.076 14.850 ( 0.000 -2.943 0.000) 2.943 14.872 ( 0.000 -0.113 0.000) 0.113 14.875 ( 0.000 -0.251 -0.000) 0.251 15.165 ( 0.000 1.178 0.000) 1.178 15.186 ( 0.000 -0.910 0.000) 0.910 15.205 ( 0.000 0.776 -0.000) 0.776 15.214 ( 0.000 -0.140 0.000) 0.140 15.474 ( 0.000 1.008 0.000) 1.008 15.497 ( 0.000 -1.373 0.000) 1.373 15.547 ( 0.000 -0.594 0.000) 0.594 15.551 ( 0.000 -0.984 0.000) 0.984 16.028 ( 0.000 3.549 0.000) 3.549 16.099 ( 0.000 2.300 0.000) 2.300 16.103 ( -0.000 -4.305 -0.000) 4.305 16.140 ( 0.000 -2.319 0.000) 2.319 16.450 ( 0.000 2.388 0.000) 2.388 16.478 ( 0.000 0.897 -0.000) 0.897 16.487 ( -0.000 -1.288 0.000) 1.288 16.513 ( 0.000 -3.027 -0.000) 3.027 16.569 ( -0.000 -0.748 -0.000) 0.748 16.570 ( 0.000 -0.898 0.000) 0.898 16.816 ( 0.000 2.185 0.000) 2.185 16.845 ( 0.000 -0.345 0.000) 0.345 16.934 ( 0.000 4.725 0.000) 4.725 17.030 ( 0.000 -5.077 0.000) 5.077 17.030 ( -0.000 5.132 -0.000) 5.132 17.123 ( 0.000 -4.734 0.000) 4.734 18.003 ( 0.000 0.310 0.000) 0.310 18.007 ( 0.000 -0.271 0.000) 0.271 18.134 ( 0.000 0.701 0.000) 0.701 18.144 ( 0.000 -0.451 0.000) 0.451 ======================= Grid point 35 (13/30) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.410 ( 2.549 0.000 18.641) 18.815 0.491 ( -2.312 0.000 21.443) 21.567 0.788 ( -1.671 0.000 -12.915) 13.022 0.849 ( -8.747 0.000 29.994) 31.244 0.966 ( 1.554 0.000 -8.274) 8.418 1.360 ( 0.386 0.000 5.304) 5.318 1.449 ( -4.753 0.000 0.272) 4.761 1.479 ( 0.915 0.000 -1.555) 1.804 1.491 ( -0.625 0.000 -5.115) 5.153 1.574 ( 8.129 0.000 -7.845) 11.297 1.625 ( 2.302 0.000 -20.704) 20.832 1.635 ( 1.670 0.000 -0.339) 1.704 1.685 ( 0.942 0.000 2.954) 3.100 1.694 ( 1.420 0.000 0.226) 1.438 1.800 ( 2.990 0.000 -2.907) 4.170 1.866 ( -2.217 0.000 -1.766) 2.834 1.940 ( -2.034 0.000 5.327) 5.702 1.953 ( 0.162 0.000 -1.309) 1.319 2.069 ( -1.373 0.000 0.723) 1.552 2.106 ( -1.511 0.000 0.635) 1.639 2.135 ( 3.107 0.000 2.166) 3.787 2.147 ( -2.246 0.000 2.002) 3.009 2.152 ( -0.507 0.000 -2.919) 2.962 2.215 ( 0.116 0.000 -0.843) 0.851 2.280 ( -1.258 0.000 4.186) 4.371 2.311 ( -2.288 0.000 3.330) 4.040 2.355 ( -5.644 0.000 2.601) 6.215 2.378 ( -0.209 0.000 1.452) 1.467 2.405 ( 3.903 0.000 -3.064) 4.962 2.418 ( 4.403 0.000 -4.217) 6.096 2.426 ( 0.809 0.000 -0.385) 0.896 2.465 ( 2.554 0.000 -3.743) 4.532 2.521 ( 0.238 0.000 1.142) 1.167 2.535 ( 0.147 0.000 -0.861) 0.874 2.558 ( -0.376 0.000 -0.387) 0.540 2.570 ( -1.464 0.000 -2.052) 2.521 2.598 ( 4.210 0.000 3.298) 5.348 2.658 ( -4.446 0.000 -1.379) 4.655 2.701 ( -1.163 0.000 4.227) 4.384 2.709 ( 1.347 0.000 0.368) 1.396 2.788 ( -1.215 0.000 -1.922) 2.274 2.808 ( 1.108 0.000 -1.494) 1.860 2.812 ( -2.745 0.000 2.246) 3.547 2.876 ( 2.320 0.000 6.973) 7.349 2.898 ( -0.260 0.000 -5.071) 5.077 2.963 ( 1.355 0.000 1.889) 2.325 2.964 ( -2.437 0.000 -2.100) 3.217 3.004 ( 2.611 0.000 -1.343) 2.937 3.275 ( -2.023 0.000 1.721) 2.656 3.310 ( 0.684 0.000 -1.134) 1.324 3.427 ( -1.178 0.000 1.350) 1.792 3.434 ( 1.574 0.000 1.345) 2.070 3.735 ( 2.950 0.000 4.113) 5.062 3.774 ( -1.061 0.000 0.197) 1.079 3.782 ( -0.168 0.000 0.846) 0.862 3.806 ( 0.855 0.000 0.310) 0.909 3.849 ( 1.394 0.000 0.430) 1.459 3.894 ( -2.393 0.000 -3.906) 4.581 3.941 ( -2.588 0.000 -1.240) 2.870 3.977 ( 1.785 0.000 -3.765) 4.167 4.041 ( -1.925 0.000 0.270) 1.944 4.065 ( 0.614 0.000 -2.017) 2.108 4.067 ( -0.846 0.000 1.929) 2.106 4.126 ( 4.810 0.000 1.321) 4.988 4.163 ( -2.694 0.000 -0.510) 2.742 4.171 ( 1.999 0.000 -4.409) 4.841 4.276 ( -0.292 0.000 4.041) 4.051 4.303 ( 0.368 0.000 0.775) 0.859 4.334 ( -0.880 0.000 4.742) 4.823 4.381 ( -2.836 0.000 -0.784) 2.942 4.384 ( 0.454 0.000 0.717) 0.848 4.417 ( 1.375 0.000 0.311) 1.410 4.437 ( 0.755 0.000 -0.986) 1.242 4.475 ( -1.060 0.000 -2.517) 2.731 4.538 ( -1.205 0.000 -0.824) 1.460 4.566 ( -2.520 0.000 -3.104) 3.998 4.616 ( 4.133 0.000 2.596) 4.881 4.622 ( -0.280 0.000 1.557) 1.582 4.669 ( 3.422 0.000 1.131) 3.604 4.671 ( -1.480 0.000 1.587) 2.170 4.758 ( 5.548 0.000 1.575) 5.768 4.783 ( -1.038 0.000 -1.326) 1.684 4.808 ( -4.657 0.000 -0.783) 4.723 4.811 ( -4.627 0.000 -0.630) 4.669 4.865 ( 2.727 0.000 0.997) 2.904 4.874 ( -2.008 0.000 -1.101) 2.290 4.894 ( 2.251 0.000 1.208) 2.554 4.927 ( -0.663 0.000 -1.060) 1.250 4.986 ( 0.155 0.000 2.115) 2.120 4.988 ( -0.706 0.000 -0.647) 0.957 5.013 ( -0.938 0.000 -1.464) 1.738 5.030 ( -2.234 0.000 -2.147) 3.099 5.049 ( -2.379 0.000 2.562) 3.496 5.111 ( -0.425 0.000 1.356) 1.421 5.133 ( -0.455 0.000 -2.895) 2.931 5.151 ( 1.481 0.000 1.124) 1.859 5.212 ( 0.990 0.000 -2.735) 2.908 5.249 ( -0.412 0.000 -3.181) 3.208 5.282 ( -1.481 0.000 1.946) 2.445 5.322 ( 1.434 0.000 -1.542) 2.106 5.389 ( 0.359 0.000 2.633) 2.657 5.420 ( 0.455 0.000 1.114) 1.203 5.498 ( 1.051 0.000 1.319) 1.687 5.540 ( -1.532 0.000 -3.863) 4.156 5.622 ( -0.049 0.000 3.012) 3.012 5.702 ( -1.068 0.000 -1.370) 1.737 5.709 ( -2.866 0.000 -1.728) 3.346 5.729 ( 3.731 0.000 0.349) 3.748 5.773 ( 0.357 0.000 0.306) 0.470 5.776 ( 0.532 0.000 0.306) 0.614 5.878 ( 3.259 0.000 3.627) 4.876 5.918 ( -2.276 0.000 0.747) 2.396 6.004 ( -0.491 0.000 0.907) 1.031 6.095 ( 0.930 0.000 -5.714) 5.789 6.127 ( -1.540 0.000 1.494) 2.146 6.158 ( -1.067 0.000 1.978) 2.247 6.182 ( 0.135 0.000 -3.408) 3.411 6.184 ( -0.621 0.000 -0.089) 0.627 6.302 ( -2.624 0.000 0.336) 2.645 6.341 ( 5.841 0.000 -3.528) 6.824 6.414 ( 0.506 0.000 0.142) 0.525 6.436 ( 0.944 0.000 -1.805) 2.037 6.562 ( -0.497 0.000 3.537) 3.571 6.590 ( -2.830 0.000 4.330) 5.173 6.604 ( 0.670 0.000 0.809) 1.051 6.673 ( -0.448 0.000 -2.107) 2.154 6.691 ( -3.084 0.000 2.586) 4.025 6.738 ( -3.551 0.000 0.529) 3.590 6.849 ( 1.783 0.000 -1.313) 2.214 6.849 ( 4.174 0.000 -3.118) 5.210 6.903 ( -0.338 0.000 -0.230) 0.409 6.907 ( -3.177 0.000 -0.605) 3.234 6.918 ( 0.577 0.000 1.850) 1.938 6.965 ( -1.671 0.000 -0.134) 1.677 7.014 ( 1.786 0.000 -0.202) 1.797 7.018 ( -0.145 0.000 -2.736) 2.740 7.161 ( 1.135 0.000 0.307) 1.175 7.192 ( -2.261 0.000 -2.522) 3.387 7.233 ( 1.564 0.000 1.294) 2.030 7.242 ( 3.438 0.000 2.448) 4.221 7.271 ( -3.465 0.000 -0.098) 3.467 7.279 ( 3.067 0.000 -1.970) 3.645 7.331 ( 1.249 0.000 0.788) 1.477 7.339 ( -1.555 0.000 0.059) 1.556 7.350 ( -3.637 0.000 1.059) 3.788 7.385 ( 1.466 0.000 -1.542) 2.128 7.475 ( 1.745 0.000 2.720) 3.231 7.509 ( 0.398 0.000 0.294) 0.495 7.606 ( 0.038 0.000 5.873) 5.873 7.642 ( -0.642 0.000 0.931) 1.131 7.699 ( 0.432 0.000 -1.350) 1.418 7.721 ( 0.635 0.000 0.591) 0.868 7.771 ( 1.982 0.000 3.285) 3.837 7.810 ( 2.871 0.000 -5.890) 6.552 7.815 ( -3.255 0.000 -2.937) 4.384 7.852 ( -2.862 0.000 -3.420) 4.460 8.001 ( 5.266 0.000 0.350) 5.277 8.013 ( -2.113 0.000 -0.302) 2.135 8.054 ( 1.184 0.000 2.112) 2.421 8.067 ( -2.525 0.000 1.022) 2.724 8.126 ( 0.614 0.000 -0.576) 0.842 8.129 ( -0.836 0.000 -0.941) 1.259 8.213 ( 2.387 0.000 0.112) 2.389 8.237 ( -1.355 0.000 -1.473) 2.002 8.257 ( -1.289 0.000 3.305) 3.548 8.325 ( 0.498 0.000 -3.207) 3.246 8.395 ( -1.664 0.000 4.972) 5.243 8.482 ( 3.387 0.000 -0.324) 3.403 8.510 ( -1.020 0.000 -1.251) 1.614 8.541 ( -2.207 0.000 -1.709) 2.792 8.731 ( 3.463 0.000 0.547) 3.506 8.738 ( -10.252 0.000 -0.040) 10.252 8.820 ( -2.825 0.000 0.060) 2.825 8.820 ( 2.713 0.000 -0.005) 2.713 9.022 ( 0.405 0.000 3.342) 3.367 9.100 ( 0.270 0.000 -3.526) 3.536 9.195 ( -4.169 0.000 0.720) 4.231 9.208 ( 6.161 0.000 -0.573) 6.188 9.285 ( -2.346 0.000 1.110) 2.595 9.306 ( 1.934 0.000 -0.737) 2.070 11.554 ( -1.532 0.000 -0.061) 1.533 11.554 ( 2.213 0.000 -0.153) 2.219 11.587 ( -1.969 0.000 1.293) 2.356 11.614 ( 1.318 0.000 -1.055) 1.688 11.703 ( 0.435 0.000 0.788) 0.900 11.721 ( -0.636 0.000 -0.770) 0.999 11.748 ( 0.588 0.000 0.458) 0.745 11.760 ( -0.404 0.000 -0.543) 0.677 12.130 ( 0.240 0.000 0.111) 0.265 12.132 ( -0.125 0.000 -0.041) 0.132 12.144 ( -0.523 0.000 0.544) 0.754 12.157 ( 0.409 0.000 -0.517) 0.659 14.485 ( 0.395 0.000 1.072) 1.143 14.518 ( -0.812 0.000 -2.008) 2.166 14.676 ( 0.190 0.000 3.712) 3.717 14.750 ( -0.814 0.000 -2.830) 2.944 14.825 ( 1.375 0.000 -0.285) 1.404 14.827 ( -3.417 0.000 -0.422) 3.443 14.872 ( -0.182 0.000 0.131) 0.224 14.874 ( 0.334 0.000 -0.009) 0.335 15.129 ( -0.322 0.000 1.155) 1.199 15.147 ( 0.822 0.000 0.006) 0.822 15.204 ( -0.118 0.000 1.061) 1.067 15.240 ( -0.698 0.000 -1.770) 1.902 15.568 ( -0.368 0.000 1.323) 1.373 15.593 ( 0.251 0.000 -0.759) 0.799 15.618 ( -1.304 0.000 1.052) 1.675 15.645 ( 6.978 0.000 -1.387) 7.115 15.973 ( -0.515 0.000 1.943) 2.010 16.016 ( 0.681 0.000 -1.780) 1.906 16.160 ( -1.978 0.000 -0.077) 1.980 16.163 ( 5.644 0.000 -0.322) 5.654 16.408 ( -0.551 0.000 1.047) 1.183 16.436 ( 0.624 0.000 -1.402) 1.535 16.559 ( 0.176 0.000 1.424) 1.435 16.592 ( -0.223 0.000 -1.438) 1.455 16.713 ( -5.647 0.000 2.378) 6.127 16.738 ( 1.215 0.000 -0.167) 1.227 16.743 ( 0.390 0.000 -0.085) 0.399 16.759 ( 0.387 0.000 -1.076) 1.143 16.863 ( 0.451 0.000 1.290) 1.367 16.906 ( -0.625 0.000 -2.434) 2.513 17.109 ( 2.310 0.000 2.225) 3.208 17.151 ( -1.074 0.000 -1.560) 1.894 17.972 ( -0.585 0.000 0.942) 1.109 17.994 ( 1.509 0.000 -0.972) 1.795 18.093 ( 0.704 0.000 0.043) 0.705 18.093 ( -0.641 0.000 -0.013) 0.641 ======================= Grid point 36 (14/30) ======================= q-point: ( 0.17 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 27 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.605 ( 4.594 0.000 17.613) 18.203 0.694 ( 10.961 0.000 4.608) 11.890 0.699 ( 0.216 0.000 -2.509) 2.519 0.894 ( 9.521 0.000 -11.712) 15.093 1.072 ( 1.628 0.000 20.151) 20.217 1.345 ( -8.230 0.000 3.263) 8.854 1.350 ( -5.169 0.000 -8.266) 9.749 1.445 ( 3.440 0.000 9.513) 10.116 1.461 ( -2.779 0.000 -1.871) 3.350 1.614 ( -1.675 0.000 -4.184) 4.507 1.633 ( 1.818 0.000 -3.331) 3.795 1.640 ( 6.308 0.000 -11.177) 12.834 1.720 ( 5.714 0.000 -9.239) 10.863 1.733 ( 3.216 0.000 -1.486) 3.543 1.797 ( -1.221 0.000 -4.265) 4.436 1.812 ( -1.587 0.000 3.180) 3.554 1.887 ( -7.019 0.000 2.609) 7.488 1.933 ( -1.651 0.000 2.461) 2.964 2.044 ( -2.900 0.000 2.957) 4.142 2.068 ( -4.781 0.000 -1.006) 4.885 2.115 ( -1.537 0.000 -1.517) 2.160 2.116 ( -0.365 0.000 -0.035) 0.367 2.176 ( -2.061 0.000 0.102) 2.064 2.224 ( 3.210 0.000 2.398) 4.007 2.274 ( -4.337 0.000 -0.042) 4.337 2.276 ( -3.392 0.000 3.513) 4.883 2.291 ( -0.087 0.000 2.383) 2.384 2.369 ( -2.274 0.000 1.718) 2.850 2.407 ( -1.740 0.000 -0.491) 1.808 2.412 ( 0.373 0.000 -5.252) 5.266 2.464 ( -5.340 0.000 -1.623) 5.582 2.486 ( 2.513 0.000 -0.654) 2.596 2.497 ( -0.878 0.000 -1.692) 1.906 2.522 ( 0.408 0.000 1.327) 1.388 2.528 ( -0.184 0.000 1.317) 1.329 2.536 ( -1.000 0.000 -0.774) 1.265 2.628 ( 2.508 0.000 -4.187) 4.881 2.695 ( 1.534 0.000 3.271) 3.613 2.703 ( -1.190 0.000 1.790) 2.149 2.715 ( -1.419 0.000 -1.378) 1.978 2.772 ( 1.795 0.000 -1.824) 2.559 2.798 ( 0.888 0.000 -1.996) 2.185 2.808 ( 0.464 0.000 6.911) 6.927 2.856 ( -3.076 0.000 -1.870) 3.600 2.942 ( 3.209 0.000 -1.286) 3.457 2.964 ( 1.550 0.000 1.778) 2.359 3.012 ( 3.898 0.000 0.804) 3.980 3.040 ( 2.795 0.000 -2.899) 4.027 3.258 ( -1.512 0.000 2.289) 2.744 3.320 ( -0.219 0.000 0.512) 0.557 3.417 ( -0.529 0.000 0.366) 0.643 3.464 ( 1.267 0.000 -0.423) 1.336 3.699 ( -4.235 0.000 -2.703) 5.024 3.755 ( -1.141 0.000 2.989) 3.199 3.809 ( -0.711 0.000 -2.346) 2.451 3.834 ( 2.047 0.000 -1.213) 2.380 3.860 ( 2.527 0.000 0.487) 2.573 3.907 ( 2.400 0.000 0.992) 2.596 3.918 ( 0.526 0.000 0.288) 0.600 3.985 ( 1.108 0.000 -1.226) 1.652 4.011 ( -1.258 0.000 2.060) 2.414 4.054 ( -1.023 0.000 -0.484) 1.132 4.069 ( -0.436 0.000 1.369) 1.437 4.091 ( -3.809 0.000 -1.717) 4.178 4.146 ( -2.038 0.000 -4.595) 5.026 4.204 ( 3.296 0.000 -0.059) 3.296 4.265 ( -2.613 0.000 2.293) 3.477 4.303 ( -6.186 0.000 2.269) 6.589 4.318 ( 0.343 0.000 -0.530) 0.631 4.343 ( -1.303 0.000 2.777) 3.067 4.385 ( -0.654 0.000 2.237) 2.330 4.416 ( -0.434 0.000 -1.411) 1.477 4.434 ( -2.072 0.000 -2.552) 3.288 4.458 ( -0.128 0.000 1.231) 1.237 4.494 ( -3.719 0.000 -0.882) 3.823 4.508 ( -5.611 0.000 6.081) 8.274 4.602 ( -0.712 0.000 -0.528) 0.887 4.614 ( -3.315 0.000 2.908) 4.410 4.652 ( -0.526 0.000 -2.504) 2.558 4.654 ( -1.097 0.000 0.856) 1.391 4.700 ( 0.753 0.000 0.560) 0.938 4.721 ( -2.483 0.000 -3.598) 4.372 4.820 ( -1.420 0.000 -1.963) 2.422 4.857 ( -0.705 0.000 -0.571) 0.907 4.861 ( -0.156 0.000 2.411) 2.416 4.869 ( 2.576 0.000 2.751) 3.769 4.953 ( 2.008 0.000 0.016) 2.008 4.972 ( 0.465 0.000 -0.048) 0.467 4.985 ( -2.807 0.000 4.053) 4.930 4.988 ( 4.538 0.000 -4.082) 6.104 4.991 ( 0.408 0.000 -0.328) 0.523 5.037 ( 2.467 0.000 -0.786) 2.589 5.038 ( -1.383 0.000 4.165) 4.389 5.111 ( -0.623 0.000 1.171) 1.326 5.118 ( -0.094 0.000 -1.461) 1.464 5.169 ( 0.659 0.000 0.389) 0.766 5.209 ( 0.032 0.000 -3.164) 3.164 5.234 ( 2.299 0.000 0.140) 2.304 5.274 ( -0.678 0.000 1.599) 1.737 5.328 ( -0.028 0.000 -1.953) 1.953 5.427 ( 1.437 0.000 1.204) 1.875 5.434 ( 0.791 0.000 -0.511) 0.942 5.504 ( 0.011 0.000 -2.326) 2.326 5.531 ( 1.718 0.000 1.556) 2.318 5.635 ( -4.835 0.000 0.672) 4.882 5.662 ( 2.125 0.000 2.782) 3.501 5.700 ( 2.047 0.000 -3.144) 3.752 5.779 ( 2.013 0.000 -0.186) 2.022 5.791 ( 1.793 0.000 -1.069) 2.088 5.797 ( 1.708 0.000 -0.239) 1.725 5.873 ( -1.998 0.000 -2.643) 3.313 5.946 ( 1.231 0.000 3.152) 3.384 6.023 ( 0.799 0.000 2.891) 2.999 6.086 ( 2.373 0.000 -5.659) 6.137 6.140 ( 1.534 0.000 3.072) 3.434 6.174 ( 1.444 0.000 2.722) 3.081 6.176 ( -0.223 0.000 -0.427) 0.482 6.177 ( 1.149 0.000 -2.216) 2.497 6.271 ( -0.039 0.000 -1.538) 1.538 6.401 ( 2.150 0.000 -1.962) 2.911 6.425 ( 0.748 0.000 -2.319) 2.437 6.444 ( 1.508 0.000 -2.027) 2.526 6.552 ( -2.896 0.000 2.665) 3.935 6.584 ( -1.278 0.000 5.435) 5.583 6.619 ( 0.683 0.000 1.014) 1.223 6.633 ( -5.327 0.000 3.638) 6.450 6.664 ( 0.713 0.000 0.318) 0.781 6.687 ( -2.637 0.000 0.722) 2.734 6.843 ( -0.909 0.000 -1.104) 1.430 6.857 ( 0.314 0.000 -2.929) 2.946 6.904 ( -0.216 0.000 2.373) 2.382 6.912 ( 1.768 0.000 -0.888) 1.979 6.939 ( -1.269 0.000 -0.418) 1.337 6.955 ( 1.809 0.000 1.424) 2.302 6.998 ( 0.242 0.000 -3.660) 3.668 7.025 ( -0.385 0.000 0.735) 0.830 7.149 ( -2.581 0.000 -1.660) 3.069 7.195 ( 0.761 0.000 1.814) 1.967 7.212 ( -1.153 0.000 -1.471) 1.869 7.228 ( -3.967 0.000 -1.481) 4.235 7.256 ( 0.914 0.000 0.344) 0.976 7.303 ( 1.470 0.000 1.167) 1.877 7.330 ( -0.661 0.000 1.522) 1.659 7.352 ( 2.524 0.000 -0.254) 2.537 7.362 ( 1.686 0.000 -0.572) 1.780 7.418 ( 2.532 0.000 0.435) 2.569 7.512 ( 0.893 0.000 -2.456) 2.613 7.512 ( 0.896 0.000 1.494) 1.742 7.603 ( -3.445 0.000 4.628) 5.770 7.622 ( -1.948 0.000 0.292) 1.970 7.673 ( -1.286 0.000 -1.872) 2.271 7.720 ( 0.252 0.000 -1.650) 1.670 7.768 ( -0.858 0.000 0.548) 1.018 7.815 ( 1.807 0.000 -1.704) 2.484 7.847 ( 2.788 0.000 -2.423) 3.694 7.859 ( 2.205 0.000 3.024) 3.743 7.969 ( -1.957 0.000 -2.433) 3.123 8.016 ( -2.218 0.000 0.516) 2.277 8.076 ( -0.364 0.000 2.350) 2.378 8.087 ( 2.564 0.000 -1.764) 3.112 8.120 ( -0.196 0.000 0.484) 0.522 8.169 ( 5.452 0.000 -1.721) 5.717 8.175 ( -3.117 0.000 -2.053) 3.732 8.203 ( -2.561 0.000 -0.020) 2.561 8.268 ( 0.071 0.000 2.566) 2.567 8.293 ( -2.366 0.000 -1.539) 2.823 8.381 ( -3.845 0.000 3.534) 5.222 8.492 ( -0.252 0.000 -1.786) 1.804 8.501 ( -0.244 0.000 1.332) 1.355 8.516 ( 1.242 0.000 0.452) 1.322 8.698 ( 2.451 0.000 2.559) 3.543 8.784 ( -1.193 0.000 -1.648) 2.034 8.791 ( 0.034 0.000 -0.266) 0.268 8.845 ( -0.759 0.000 3.375) 3.459 9.064 ( 1.539 0.000 2.723) 3.128 9.076 ( -0.358 0.000 -2.572) 2.597 9.165 ( 2.123 0.000 -2.002) 2.918 9.235 ( -2.967 0.000 1.997) 3.577 9.286 ( 2.966 0.000 -0.941) 3.112 9.326 ( 0.711 0.000 -0.484) 0.860 11.520 ( -1.812 0.000 -0.320) 1.840 11.554 ( -2.250 0.000 0.591) 2.326 11.595 ( 1.937 0.000 0.547) 2.013 11.631 ( 1.298 0.000 -0.909) 1.585 11.711 ( 0.216 0.000 -0.658) 0.693 11.714 ( -0.095 0.000 0.760) 0.766 11.764 ( 1.322 0.000 -0.353) 1.368 11.772 ( 1.477 0.000 0.246) 1.497 12.130 ( 0.057 0.000 -0.194) 0.202 12.136 ( 0.389 0.000 0.042) 0.391 12.142 ( -0.187 0.000 0.640) 0.667 12.163 ( 0.638 0.000 -0.444) 0.777 14.515 ( 1.555 0.000 -1.708) 2.310 14.519 ( 2.276 0.000 1.659) 2.816 14.709 ( -1.558 0.000 -2.531) 2.972 14.714 ( 0.915 0.000 2.936) 3.075 14.810 ( 0.395 0.000 0.392) 0.556 14.868 ( 0.352 0.000 0.279) 0.449 14.873 ( 2.529 0.000 0.891) 2.681 14.877 ( 0.048 0.000 0.017) 0.051 15.133 ( 0.092 0.000 0.689) 0.696 15.156 ( 0.608 0.000 -1.257) 1.396 15.216 ( 0.208 0.000 2.510) 2.518 15.220 ( -0.490 0.000 -1.432) 1.513 15.523 ( -4.748 0.000 -1.621) 5.017 15.573 ( -1.561 0.000 -1.236) 1.991 15.598 ( -0.693 0.000 -0.035) 0.694 15.645 ( -2.062 0.000 -1.128) 2.351 15.975 ( -0.594 0.000 1.851) 1.944 16.014 ( 0.654 0.000 -2.080) 2.180 16.148 ( 0.828 0.000 -0.344) 0.896 16.247 ( 3.753 0.000 -3.290) 4.991 16.405 ( -0.533 0.000 1.001) 1.134 16.437 ( 0.568 0.000 -1.185) 1.314 16.572 ( -2.387 0.000 1.122) 2.638 16.575 ( 0.538 0.000 1.629) 1.716 16.603 ( -4.071 0.000 2.894) 4.995 16.700 ( -2.493 0.000 -0.892) 2.647 16.756 ( -0.402 0.000 1.768) 1.814 16.771 ( -0.508 0.000 -1.553) 1.634 16.890 ( 0.811 0.000 2.215) 2.359 16.894 ( 0.384 0.000 -2.506) 2.536 17.141 ( 0.798 0.000 -0.231) 0.831 17.189 ( 3.509 0.000 -1.655) 3.880 17.982 ( 0.893 0.000 1.368) 1.634 18.018 ( 1.483 0.000 -2.458) 2.871 18.085 ( -0.232 0.000 -0.062) 0.241 18.115 ( 1.750 0.000 -0.404) 1.796 ======================= Grid point 37 (15/30) ======================= q-point: ( 0.33 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( 8.556 0.000 -8.091) 11.775 0.788 ( 6.572 0.000 10.827) 12.665 0.939 ( 7.934 0.000 7.239) 10.740 1.052 ( 15.279 0.000 -10.357) 18.458 1.129 ( -8.466 0.000 5.552) 10.124 1.255 ( -3.450 0.000 6.988) 7.793 1.258 ( -1.448 0.000 -0.515) 1.537 1.390 ( -1.867 0.000 -5.801) 6.094 1.523 ( -9.216 0.000 0.691) 9.241 1.535 ( 0.293 0.000 2.985) 3.000 1.548 ( -4.257 0.000 1.772) 4.611 1.663 ( 0.531 0.000 -1.802) 1.879 1.750 ( -9.074 0.000 2.987) 9.553 1.763 ( -2.214 0.000 2.001) 2.984 1.775 ( 7.325 0.000 -14.288) 16.057 1.799 ( 4.099 0.000 -5.843) 7.137 1.828 ( 2.576 0.000 2.030) 3.280 1.917 ( -8.490 0.000 -1.212) 8.576 1.964 ( 2.118 0.000 3.766) 4.321 2.031 ( 0.545 0.000 -0.082) 0.552 2.109 ( 1.309 0.000 -2.206) 2.565 2.122 ( 0.532 0.000 1.264) 1.371 2.178 ( 2.218 0.000 -0.817) 2.364 2.204 ( -2.939 0.000 -0.089) 2.940 2.213 ( -3.537 0.000 -0.181) 3.542 2.284 ( -2.243 0.000 1.918) 2.951 2.310 ( 0.373 0.000 1.120) 1.180 2.335 ( -1.385 0.000 3.261) 3.543 2.353 ( -1.554 0.000 -3.558) 3.882 2.369 ( -1.890 0.000 -0.082) 1.892 2.404 ( -0.289 0.000 -0.762) 0.815 2.451 ( -3.650 0.000 2.440) 4.391 2.475 ( -3.292 0.000 5.210) 6.163 2.508 ( -1.640 0.000 0.206) 1.653 2.548 ( 1.245 0.000 1.406) 1.878 2.575 ( 3.665 0.000 -4.516) 5.816 2.660 ( 0.229 0.000 -2.440) 2.450 2.665 ( -1.451 0.000 0.638) 1.585 2.680 ( 2.317 0.000 -1.730) 2.892 2.719 ( -0.210 0.000 0.562) 0.600 2.791 ( -1.041 0.000 -2.457) 2.668 2.812 ( 2.168 0.000 0.722) 2.285 2.835 ( 1.998 0.000 -0.220) 2.010 2.898 ( 3.460 0.000 5.806) 6.759 2.956 ( -1.701 0.000 -2.523) 3.042 3.008 ( 3.011 0.000 1.599) 3.409 3.054 ( 0.977 0.000 -2.463) 2.649 3.071 ( 3.054 0.000 -1.947) 3.622 3.243 ( -2.175 0.000 2.106) 3.027 3.289 ( -3.513 0.000 0.374) 3.533 3.410 ( -1.121 0.000 1.134) 1.595 3.472 ( 0.835 0.000 -2.244) 2.395 3.641 ( -0.127 0.000 -1.900) 1.905 3.767 ( -0.309 0.000 -3.138) 3.154 3.781 ( 0.988 0.000 2.976) 3.136 3.842 ( 0.698 0.000 -3.831) 3.894 3.918 ( 0.153 0.000 1.372) 1.380 3.923 ( 3.653 0.000 0.184) 3.658 3.963 ( 2.814 0.000 1.392) 3.140 3.983 ( -1.878 0.000 0.604) 1.973 4.001 ( -4.858 0.000 -1.881) 5.209 4.011 ( -2.456 0.000 -2.651) 3.614 4.046 ( 1.250 0.000 3.855) 4.053 4.069 ( -1.980 0.000 -1.172) 2.301 4.086 ( 1.298 0.000 0.250) 1.322 4.195 ( -6.028 0.000 0.903) 6.095 4.219 ( -0.623 0.000 -3.454) 3.510 4.243 ( -4.170 0.000 5.446) 6.859 4.285 ( -4.260 0.000 -3.636) 5.600 4.324 ( 2.112 0.000 -2.505) 3.276 4.374 ( -3.753 0.000 3.566) 5.177 4.388 ( 1.216 0.000 2.334) 2.632 4.428 ( -1.169 0.000 2.923) 3.148 4.441 ( -1.623 0.000 -0.080) 1.625 4.453 ( 0.396 0.000 0.083) 0.405 4.503 ( 1.238 0.000 1.738) 2.134 4.579 ( -2.851 0.000 -0.286) 2.865 4.603 ( -2.549 0.000 -1.825) 3.135 4.615 ( -0.504 0.000 1.789) 1.859 4.670 ( 0.461 0.000 4.000) 4.027 4.685 ( 2.021 0.000 -6.094) 6.421 4.715 ( 1.318 0.000 -1.432) 1.946 4.794 ( 1.268 0.000 -2.199) 2.538 4.826 ( -0.569 0.000 0.749) 0.941 4.901 ( -0.338 0.000 0.817) 0.884 4.909 ( 0.938 0.000 2.362) 2.541 4.943 ( -2.277 0.000 0.724) 2.390 4.953 ( -2.925 0.000 2.223) 3.674 4.968 ( -0.228 0.000 -1.389) 1.408 5.003 ( 0.462 0.000 -3.786) 3.814 5.007 ( -0.257 0.000 2.581) 2.593 5.052 ( -0.770 0.000 4.881) 4.941 5.064 ( 0.814 0.000 -1.322) 1.552 5.094 ( -0.176 0.000 0.267) 0.320 5.145 ( 2.558 0.000 0.544) 2.615 5.202 ( 2.582 0.000 0.102) 2.584 5.225 ( 2.200 0.000 2.144) 3.072 5.268 ( -0.773 0.000 0.370) 0.856 5.290 ( 2.714 0.000 -1.197) 2.966 5.298 ( -0.310 0.000 -0.223) 0.382 5.433 ( -0.866 0.000 -0.640) 1.077 5.442 ( 0.122 0.000 -1.105) 1.112 5.502 ( 1.011 0.000 -2.051) 2.287 5.550 ( -3.981 0.000 -0.438) 4.005 5.578 ( 1.146 0.000 2.670) 2.906 5.716 ( 2.181 0.000 0.845) 2.338 5.730 ( 3.118 0.000 -2.283) 3.865 5.767 ( -1.867 0.000 -4.018) 4.431 5.814 ( 2.029 0.000 -1.750) 2.680 5.818 ( 0.060 0.000 1.025) 1.027 5.867 ( 3.444 0.000 -0.829) 3.542 5.954 ( -2.523 0.000 3.153) 4.038 6.052 ( -0.061 0.000 3.360) 3.361 6.098 ( 3.026 0.000 -4.844) 5.711 6.167 ( -0.285 0.000 -0.854) 0.900 6.175 ( 0.504 0.000 -2.017) 2.079 6.211 ( 3.372 0.000 3.183) 4.637 6.236 ( 3.139 0.000 0.685) 3.213 6.281 ( 1.730 0.000 -0.748) 1.885 6.373 ( -3.666 0.000 -2.425) 4.395 6.400 ( -1.547 0.000 0.231) 1.564 6.458 ( 1.522 0.000 -2.463) 2.895 6.520 ( -2.070 0.000 2.295) 3.091 6.552 ( -4.395 0.000 4.601) 6.363 6.614 ( 0.802 0.000 -2.547) 2.670 6.657 ( -1.386 0.000 0.437) 1.454 6.677 ( 2.409 0.000 6.488) 6.921 6.699 ( 1.838 0.000 2.393) 3.018 6.820 ( -1.452 0.000 -0.320) 1.487 6.835 ( -0.032 0.000 -2.945) 2.945 6.910 ( -0.797 0.000 2.381) 2.511 6.911 ( -0.333 0.000 -2.348) 2.372 6.922 ( -0.150 0.000 -1.014) 1.025 6.977 ( 0.131 0.000 -2.221) 2.225 6.984 ( 0.577 0.000 -2.556) 2.620 7.013 ( -1.697 0.000 -0.403) 1.744 7.089 ( -1.934 0.000 0.259) 1.951 7.159 ( -2.676 0.000 0.142) 2.680 7.215 ( -0.941 0.000 4.804) 4.896 7.218 ( 1.672 0.000 0.139) 1.678 7.276 ( 0.876 0.000 0.692) 1.116 7.307 ( -0.188 0.000 -1.280) 1.293 7.356 ( 1.315 0.000 1.210) 1.787 7.376 ( 0.808 0.000 -1.402) 1.618 7.380 ( 1.521 0.000 -1.852) 2.396 7.454 ( 0.759 0.000 -0.214) 0.789 7.509 ( 0.055 0.000 -1.756) 1.757 7.531 ( 0.506 0.000 1.187) 1.290 7.574 ( -3.124 0.000 4.217) 5.248 7.603 ( 0.573 0.000 -0.383) 0.689 7.655 ( 0.210 0.000 -0.757) 0.786 7.719 ( 1.201 0.000 -3.772) 3.958 7.778 ( 1.034 0.000 1.370) 1.716 7.826 ( 1.254 0.000 -2.933) 3.189 7.847 ( -4.568 0.000 1.745) 4.890 7.875 ( -0.132 0.000 -0.785) 0.796 7.934 ( -0.027 0.000 1.158) 1.158 8.010 ( 0.507 0.000 0.414) 0.654 8.089 ( -0.370 0.000 3.281) 3.301 8.098 ( 0.622 0.000 -1.451) 1.578 8.121 ( -0.158 0.000 1.723) 1.730 8.133 ( -0.333 0.000 -0.654) 0.734 8.178 ( 0.768 0.000 -2.457) 2.574 8.239 ( 0.330 0.000 -2.469) 2.491 8.240 ( -4.239 0.000 1.264) 4.423 8.243 ( 1.482 0.000 -2.143) 2.605 8.371 ( -0.449 0.000 4.159) 4.183 8.467 ( -1.112 0.000 -1.036) 1.520 8.528 ( 2.175 0.000 -0.151) 2.180 8.551 ( 1.135 0.000 1.448) 1.839 8.730 ( -0.892 0.000 0.186) 0.911 8.733 ( -3.443 0.000 -2.164) 4.067 8.785 ( 2.475 0.000 -0.491) 2.524 8.838 ( -2.657 0.000 3.251) 4.199 9.074 ( 1.174 0.000 -0.776) 1.408 9.098 ( 0.835 0.000 0.790) 1.150 9.204 ( -2.246 0.000 2.615) 3.448 9.214 ( 3.946 0.000 -2.111) 4.475 9.322 ( 1.669 0.000 -0.482) 1.737 9.327 ( -0.099 0.000 -0.337) 0.351 11.495 ( -0.876 0.000 -0.072) 0.879 11.519 ( -1.860 0.000 0.185) 1.869 11.626 ( 1.170 0.000 0.485) 1.267 11.645 ( 0.967 0.000 -0.764) 1.232 11.713 ( -0.290 0.000 0.373) 0.473 11.717 ( 0.663 0.000 -0.588) 0.886 11.789 ( 1.226 0.000 0.154) 1.236 11.795 ( 1.005 0.000 0.131) 1.014 12.131 ( 0.187 0.000 -0.046) 0.193 12.141 ( 0.215 0.000 -0.179) 0.280 12.145 ( 0.013 0.000 0.776) 0.776 12.170 ( 0.447 0.000 -0.557) 0.714 14.540 ( 2.198 0.000 -0.888) 2.371 14.574 ( 2.576 0.000 1.118) 2.808 14.668 ( -1.740 0.000 -0.747) 1.894 14.729 ( -0.448 0.000 0.154) 0.473 14.828 ( 0.491 0.000 1.499) 1.577 14.864 ( 0.156 0.000 -0.932) 0.945 14.883 ( 0.700 0.000 0.829) 1.085 14.925 ( 1.182 0.000 2.153) 2.456 15.137 ( 0.064 0.000 -0.545) 0.549 15.150 ( 0.036 0.000 -2.086) 2.086 15.210 ( 0.205 0.000 0.013) 0.206 15.237 ( -0.415 0.000 2.903) 2.933 15.440 ( -1.320 0.000 -3.809) 4.032 15.529 ( -2.117 0.000 -2.175) 3.036 15.590 ( -0.370 0.000 0.314) 0.485 15.609 ( -1.473 0.000 -0.119) 1.478 15.977 ( -0.619 0.000 1.743) 1.849 16.014 ( 0.914 0.000 -2.094) 2.285 16.172 ( 1.286 0.000 1.197) 1.757 16.257 ( 0.059 0.000 -1.851) 1.852 16.405 ( -0.327 0.000 1.203) 1.246 16.442 ( 0.868 0.000 -1.206) 1.486 16.550 ( -1.655 0.000 3.660) 4.017 16.588 ( 0.564 0.000 -1.070) 1.209 16.595 ( 0.445 0.000 1.020) 1.113 16.658 ( -1.289 0.000 -2.023) 2.399 16.743 ( -0.777 0.000 -1.345) 1.553 16.750 ( -1.556 0.000 1.726) 2.324 16.888 ( 0.697 0.000 -1.645) 1.787 16.901 ( -0.620 0.000 0.774) 0.992 17.159 ( -0.040 0.000 2.351) 2.351 17.209 ( 0.829 0.000 -1.640) 1.838 18.006 ( 0.089 0.000 1.672) 1.674 18.020 ( 0.708 0.000 -1.677) 1.820 18.089 ( 0.430 0.000 0.920) 1.016 18.136 ( 1.124 0.000 -0.905) 1.443 ======================= Grid point 38 (16/30) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 27 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( 9.074 0.000 3.788) 9.832 0.886 ( -13.708 0.000 -0.204) 13.710 0.973 ( -4.444 0.000 -1.311) 4.633 1.010 ( 6.573 0.000 4.167) 7.783 1.144 ( -2.366 0.000 2.123) 3.179 1.282 ( -1.464 0.000 -7.965) 8.098 1.333 ( 2.068 0.000 4.403) 4.864 1.341 ( 10.495 0.000 -0.504) 10.507 1.441 ( 2.167 0.000 -2.014) 2.958 1.444 ( -6.814 0.000 -2.186) 7.156 1.569 ( -1.977 0.000 3.827) 4.307 1.618 ( -6.423 0.000 4.329) 7.745 1.667 ( -2.004 0.000 4.348) 4.787 1.699 ( -2.920 0.000 -6.025) 6.695 1.736 ( -1.940 0.000 6.187) 6.484 1.838 ( 5.457 0.000 -8.710) 10.278 1.866 ( 1.235 0.000 -3.970) 4.157 1.877 ( 4.293 0.000 -4.595) 6.288 2.019 ( 1.586 0.000 1.883) 2.462 2.049 ( -0.169 0.000 -0.275) 0.323 2.104 ( -2.504 0.000 0.149) 2.508 2.127 ( 2.477 0.000 -2.038) 3.208 2.153 ( -3.041 0.000 2.707) 4.071 2.181 ( 0.752 0.000 -1.323) 1.522 2.231 ( -4.258 0.000 0.343) 4.272 2.251 ( 5.575 0.000 -2.525) 6.120 2.301 ( -0.109 0.000 2.814) 2.816 2.302 ( -2.020 0.000 1.264) 2.383 2.361 ( 0.656 0.000 -1.822) 1.937 2.364 ( 1.519 0.000 -0.731) 1.686 2.436 ( -0.765 0.000 4.368) 4.435 2.470 ( -0.550 0.000 4.194) 4.230 2.471 ( 5.057 0.000 3.823) 6.339 2.484 ( -1.902 0.000 1.896) 2.686 2.549 ( -2.305 0.000 -3.582) 4.260 2.569 ( -0.401 0.000 0.476) 0.622 2.637 ( 0.706 0.000 -2.974) 3.057 2.669 ( 0.912 0.000 -3.610) 3.724 2.732 ( 1.759 0.000 1.578) 2.363 2.732 ( 1.755 0.000 1.579) 2.361 2.782 ( 1.787 0.000 0.168) 1.795 2.828 ( -1.970 0.000 0.590) 2.057 2.861 ( 1.532 0.000 -1.961) 2.489 2.882 ( -2.068 0.000 -5.875) 6.229 2.965 ( -0.623 0.000 3.932) 3.981 3.026 ( -1.335 0.000 0.530) 1.437 3.053 ( -0.898 0.000 0.586) 1.073 3.100 ( 1.537 0.000 -2.317) 2.780 3.221 ( -0.555 0.000 1.447) 1.550 3.246 ( -0.127 0.000 -1.024) 1.031 3.396 ( -1.514 0.000 2.798) 3.181 3.466 ( 0.539 0.000 -2.861) 2.911 3.661 ( 2.095 0.000 0.935) 2.294 3.715 ( -2.890 0.000 -3.346) 4.421 3.837 ( 1.440 0.000 -1.430) 2.029 3.837 ( 0.928 0.000 1.569) 1.823 3.875 ( -2.066 0.000 -2.920) 3.577 3.894 ( -2.884 0.000 -2.221) 3.640 3.969 ( -0.680 0.000 1.297) 1.465 3.993 ( 1.489 0.000 -0.247) 1.509 4.013 ( -0.602 0.000 1.684) 1.788 4.017 ( 3.733 0.000 1.594) 4.059 4.044 ( -0.796 0.000 0.445) 0.911 4.064 ( 0.040 0.000 -1.416) 1.416 4.125 ( 1.393 0.000 3.232) 3.519 4.134 ( 0.553 0.000 1.020) 1.160 4.181 ( 0.168 0.000 -3.288) 3.293 4.211 ( -1.287 0.000 -4.353) 4.540 4.217 ( -3.116 0.000 6.196) 6.936 4.333 ( 0.951 0.000 -4.388) 4.490 4.366 ( -0.648 0.000 5.188) 5.228 4.400 ( -1.627 0.000 0.012) 1.627 4.421 ( -0.507 0.000 0.217) 0.552 4.429 ( 1.554 0.000 1.105) 1.907 4.509 ( 3.133 0.000 2.620) 4.084 4.531 ( -0.891 0.000 0.532) 1.038 4.531 ( 0.066 0.000 0.404) 0.410 4.557 ( -1.169 0.000 -1.936) 2.262 4.597 ( -2.746 0.000 1.038) 2.935 4.671 ( -2.327 0.000 2.819) 3.655 4.696 ( 3.600 0.000 -6.407) 7.349 4.735 ( 2.848 0.000 -2.616) 3.867 4.839 ( 1.364 0.000 1.001) 1.692 4.841 ( 0.727 0.000 1.293) 1.483 4.886 ( -4.327 0.000 0.463) 4.352 4.887 ( 0.952 0.000 0.609) 1.130 4.914 ( -2.118 0.000 1.319) 2.495 4.931 ( -1.228 0.000 2.166) 2.490 4.953 ( 0.054 0.000 -0.718) 0.720 5.005 ( 2.783 0.000 -4.353) 5.167 5.015 ( -0.906 0.000 2.953) 3.089 5.069 ( 0.469 0.000 -1.798) 1.858 5.077 ( 0.374 0.000 3.374) 3.394 5.088 ( 0.018 0.000 1.076) 1.077 5.185 ( -0.217 0.000 2.839) 2.848 5.210 ( -2.445 0.000 -0.068) 2.446 5.257 ( -0.066 0.000 -0.440) 0.445 5.276 ( 1.168 0.000 -2.327) 2.603 5.305 ( 3.794 0.000 3.819) 5.383 5.349 ( 0.523 0.000 0.150) 0.544 5.404 ( -0.410 0.000 -0.448) 0.608 5.417 ( -1.758 0.000 -1.466) 2.289 5.493 ( -1.615 0.000 -1.473) 2.186 5.510 ( 1.789 0.000 -2.165) 2.809 5.615 ( 0.918 0.000 3.156) 3.287 5.701 ( -1.264 0.000 -4.941) 5.100 5.734 ( -1.213 0.000 0.209) 1.230 5.756 ( 1.162 0.000 -1.748) 2.099 5.816 ( -1.176 0.000 1.077) 1.594 5.843 ( 2.432 0.000 -1.295) 2.755 5.912 ( -4.055 0.000 1.780) 4.429 5.937 ( 4.456 0.000 -0.497) 4.484 6.061 ( -1.419 0.000 2.484) 2.861 6.121 ( 2.388 0.000 -3.117) 3.927 6.152 ( -1.390 0.000 0.366) 1.437 6.166 ( 0.026 0.000 -2.106) 2.106 6.243 ( -2.072 0.000 0.831) 2.232 6.269 ( 1.059 0.000 -0.438) 1.146 6.310 ( 1.173 0.000 0.178) 1.186 6.322 ( 0.027 0.000 -1.170) 1.170 6.382 ( -0.642 0.000 2.297) 2.385 6.445 ( -0.767 0.000 -2.529) 2.643 6.533 ( 1.398 0.000 2.300) 2.692 6.535 ( -1.274 0.000 3.713) 3.925 6.610 ( 0.726 0.000 -1.061) 1.286 6.639 ( -0.419 0.000 -1.745) 1.794 6.734 ( -1.280 0.000 4.403) 4.585 6.735 ( -0.467 0.000 4.029) 4.056 6.803 ( 0.586 0.000 -0.588) 0.830 6.830 ( 1.459 0.000 -1.986) 2.464 6.893 ( 0.238 0.000 -0.814) 0.848 6.918 ( -0.037 0.000 0.885) 0.886 6.933 ( 1.802 0.000 -0.504) 1.871 6.935 ( -1.593 0.000 -2.820) 3.239 6.959 ( -2.545 0.000 -2.370) 3.478 6.979 ( 1.127 0.000 -2.777) 2.997 7.103 ( 1.751 0.000 1.799) 2.511 7.121 ( -2.038 0.000 0.245) 2.052 7.247 ( 0.539 0.000 1.599) 1.688 7.252 ( 0.482 0.000 6.166) 6.185 7.294 ( -0.156 0.000 -1.806) 1.813 7.302 ( 1.494 0.000 1.322) 1.995 7.344 ( -1.391 0.000 -0.929) 1.673 7.381 ( -0.256 0.000 -3.049) 3.060 7.391 ( 0.773 0.000 -0.287) 0.825 7.441 ( 0.181 0.000 -4.347) 4.351 7.493 ( -1.508 0.000 2.131) 2.611 7.536 ( -0.234 0.000 -1.173) 1.196 7.567 ( -1.745 0.000 6.959) 7.175 7.630 ( 1.600 0.000 0.236) 1.618 7.652 ( -0.245 0.000 -1.779) 1.795 7.704 ( 0.617 0.000 -4.477) 4.519 7.774 ( -3.965 0.000 2.970) 4.954 7.815 ( 1.942 0.000 0.181) 1.950 7.832 ( 1.338 0.000 -3.466) 3.716 7.851 ( 1.085 0.000 -2.505) 2.730 7.964 ( 0.339 0.000 3.838) 3.853 8.013 ( -0.068 0.000 -0.614) 0.618 8.082 ( -2.282 0.000 2.865) 3.663 8.111 ( 1.781 0.000 -0.462) 1.840 8.139 ( 0.649 0.000 0.243) 0.693 8.151 ( 1.866 0.000 -1.793) 2.588 8.174 ( -2.035 0.000 3.977) 4.468 8.197 ( 0.457 0.000 -1.456) 1.526 8.198 ( -1.621 0.000 -1.557) 2.247 8.267 ( 1.984 0.000 -3.981) 4.448 8.387 ( -0.954 0.000 4.093) 4.202 8.444 ( -0.529 0.000 -1.400) 1.496 8.562 ( -0.766 0.000 0.611) 0.980 8.562 ( 1.573 0.000 0.256) 1.593 8.692 ( 0.013 0.000 -0.640) 0.640 8.707 ( -0.828 0.000 -1.204) 1.461 8.816 ( -1.472 0.000 1.503) 2.104 8.824 ( 2.062 0.000 0.412) 2.103 9.091 ( 0.805 0.000 0.150) 0.819 9.097 ( -1.050 0.000 -0.392) 1.120 9.193 ( -1.315 0.000 2.689) 2.993 9.252 ( 2.210 0.000 -2.582) 3.399 9.322 ( -0.693 0.000 0.636) 0.940 9.333 ( -0.114 0.000 -0.435) 0.450 11.492 ( 0.491 0.000 0.281) 0.566 11.498 ( -0.589 0.000 -0.198) 0.621 11.638 ( -0.090 0.000 0.444) 0.453 11.651 ( 0.239 0.000 -0.692) 0.732 11.711 ( -0.302 0.000 0.362) 0.471 11.721 ( 0.231 0.000 -0.554) 0.600 11.802 ( 0.084 0.000 0.262) 0.275 11.805 ( -0.029 0.000 0.018) 0.034 12.134 ( 0.082 0.000 0.168) 0.187 12.141 ( -0.101 0.000 -0.325) 0.341 12.151 ( -0.062 0.000 0.890) 0.893 12.170 ( 0.051 0.000 -0.739) 0.741 14.571 ( 1.361 0.000 0.240) 1.382 14.582 ( -1.973 0.000 -0.846) 2.147 14.671 ( 2.004 0.000 1.678) 2.614 14.707 ( -1.187 0.000 -1.609) 1.999 14.838 ( -0.101 0.000 1.118) 1.123 14.861 ( 0.226 0.000 -1.114) 1.137 14.911 ( 0.991 0.000 2.344) 2.545 14.935 ( -0.974 0.000 0.640) 1.165 15.128 ( -0.370 0.000 -0.838) 0.916 15.136 ( -0.024 0.000 -1.811) 1.811 15.230 ( 1.394 0.000 1.100) 1.775 15.232 ( -1.439 0.000 1.207) 1.878 15.439 ( 2.352 0.000 -0.692) 2.452 15.474 ( -2.089 0.000 -3.664) 4.217 15.590 ( 0.099 0.000 0.388) 0.401 15.594 ( -0.398 0.000 0.121) 0.416 15.976 ( -0.800 0.000 1.642) 1.826 16.016 ( 0.900 0.000 -1.928) 2.128 16.199 ( 0.469 0.000 2.011) 2.065 16.239 ( -0.707 0.000 -1.490) 1.650 16.409 ( -0.184 0.000 1.448) 1.460 16.445 ( 0.500 0.000 -1.590) 1.667 16.556 ( -0.633 0.000 3.689) 3.743 16.590 ( -1.570 0.000 0.119) 1.575 16.600 ( 1.429 0.000 -0.857) 1.666 16.631 ( 0.378 0.000 -2.817) 2.842 16.730 ( -1.613 0.000 1.049) 1.924 16.745 ( 1.527 0.000 -0.253) 1.548 16.886 ( -1.275 0.000 0.047) 1.276 16.897 ( 1.110 0.000 -0.784) 1.359 17.168 ( -0.466 0.000 2.248) 2.296 17.213 ( 1.224 0.000 -1.620) 2.031 18.003 ( -1.029 0.000 0.887) 1.359 18.026 ( 1.134 0.000 -1.090) 1.573 18.105 ( 0.168 0.000 1.705) 1.714 18.142 ( 0.391 0.000 -1.335) 1.391 ======================= Grid point 39 (17/30) ======================= q-point: (-0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.583 ( -17.951 0.000 -0.058) 17.951 0.761 ( -16.757 0.000 7.771) 18.471 1.009 ( -10.883 0.000 9.510) 14.452 1.026 ( -1.449 0.000 -1.458) 2.055 1.247 ( 9.808 0.000 -6.785) 11.926 1.255 ( 10.259 0.000 5.071) 11.444 1.272 ( -9.591 0.000 -6.546) 11.612 1.410 ( 5.486 0.000 -6.678) 8.643 1.436 ( -6.630 0.000 7.618) 10.099 1.495 ( 1.665 0.000 1.677) 2.363 1.571 ( 9.665 0.000 -2.267) 9.927 1.612 ( -0.991 0.000 3.380) 3.523 1.635 ( 2.113 0.000 -0.786) 2.255 1.738 ( 4.357 0.000 2.242) 4.900 1.748 ( -3.595 0.000 2.689) 4.490 1.846 ( 0.573 0.000 -5.724) 5.753 1.877 ( 2.004 0.000 3.368) 3.919 1.937 ( 5.544 0.000 -5.716) 7.963 1.998 ( -0.650 0.000 -1.340) 1.490 2.061 ( 3.965 0.000 -1.907) 4.400 2.121 ( -0.993 0.000 1.019) 1.423 2.129 ( 2.556 0.000 -3.828) 4.603 2.171 ( 0.004 0.000 -1.166) 1.166 2.173 ( 1.656 0.000 2.586) 3.071 2.202 ( 1.708 0.000 0.647) 1.826 2.275 ( -1.518 0.000 0.935) 1.783 2.322 ( 3.745 0.000 -0.979) 3.871 2.326 ( 0.008 0.000 3.168) 3.168 2.368 ( 0.958 0.000 -0.642) 1.153 2.389 ( 1.311 0.000 -0.029) 1.311 2.447 ( -3.057 0.000 -2.016) 3.662 2.453 ( -1.262 0.000 4.145) 4.333 2.498 ( -0.040 0.000 0.240) 0.244 2.519 ( 3.146 0.000 0.521) 3.189 2.543 ( 0.167 0.000 -1.375) 1.385 2.566 ( 2.852 0.000 -0.641) 2.923 2.638 ( -2.591 0.000 -1.000) 2.777 2.658 ( 3.486 0.000 -2.395) 4.229 2.721 ( -3.770 0.000 -4.075) 5.552 2.737 ( -0.859 0.000 -0.174) 0.877 2.778 ( -0.051 0.000 -0.689) 0.691 2.845 ( -0.620 0.000 -0.605) 0.866 2.850 ( 0.371 0.000 -1.826) 1.863 2.875 ( 4.000 0.000 2.348) 4.638 2.943 ( -5.003 0.000 6.339) 8.075 3.002 ( -1.440 0.000 0.190) 1.453 3.025 ( -1.713 0.000 -0.885) 1.928 3.048 ( -5.429 0.000 -1.431) 5.614 3.265 ( 2.317 0.000 -0.454) 2.361 3.266 ( 2.382 0.000 2.548) 3.489 3.414 ( 1.457 0.000 2.052) 2.517 3.451 ( -0.482 0.000 -2.261) 2.312 3.645 ( -2.107 0.000 -2.021) 2.919 3.706 ( 1.689 0.000 2.113) 2.705 3.801 ( -1.388 0.000 -0.275) 1.415 3.825 ( -2.642 0.000 -1.325) 2.956 3.883 ( 2.901 0.000 2.994) 4.169 3.906 ( 1.843 0.000 1.439) 2.338 3.951 ( -3.606 0.000 -0.764) 3.686 3.974 ( 0.662 0.000 -0.430) 0.789 4.017 ( 0.872 0.000 -1.026) 1.347 4.019 ( -0.127 0.000 -0.850) 0.859 4.087 ( 0.602 0.000 -1.264) 1.400 4.102 ( 3.273 0.000 -0.996) 3.422 4.128 ( 0.128 0.000 4.227) 4.229 4.148 ( -0.460 0.000 -5.294) 5.314 4.217 ( -0.428 0.000 5.145) 5.163 4.224 ( 4.880 0.000 -1.575) 5.128 4.236 ( 5.120 0.000 2.798) 5.834 4.313 ( -0.426 0.000 -1.407) 1.471 4.376 ( -1.535 0.000 1.061) 1.865 4.394 ( -0.631 0.000 3.815) 3.867 4.424 ( 0.193 0.000 0.899) 0.920 4.459 ( 2.227 0.000 -1.389) 2.625 4.530 ( 1.329 0.000 0.197) 1.343 4.530 ( 0.108 0.000 -2.684) 2.686 4.536 ( -1.831 0.000 3.098) 3.598 4.579 ( 1.750 0.000 -0.340) 1.783 4.580 ( 2.914 0.000 1.211) 3.156 4.649 ( -1.457 0.000 1.942) 2.428 4.716 ( 2.366 0.000 -4.669) 5.235 4.754 ( -3.017 0.000 -2.751) 4.082 4.785 ( -0.197 0.000 -1.124) 1.141 4.835 ( -0.614 0.000 1.001) 1.174 4.887 ( -1.740 0.000 2.871) 3.357 4.893 ( 1.397 0.000 1.417) 1.990 4.923 ( -0.865 0.000 0.762) 1.152 4.954 ( 2.778 0.000 1.771) 3.294 4.959 ( 1.731 0.000 -0.934) 1.967 5.019 ( -0.770 0.000 2.583) 2.695 5.026 ( 2.628 0.000 -2.895) 3.910 5.059 ( 0.202 0.000 -1.728) 1.739 5.101 ( 0.495 0.000 1.062) 1.171 5.114 ( 1.697 0.000 0.731) 1.848 5.142 ( -4.704 0.000 0.175) 4.707 5.166 ( -3.137 0.000 1.943) 3.690 5.263 ( 0.262 0.000 -0.430) 0.503 5.271 ( -0.829 0.000 -0.936) 1.250 5.324 ( -0.058 0.000 -3.733) 3.733 5.338 ( -2.317 0.000 -1.066) 2.550 5.407 ( 1.465 0.000 0.890) 1.714 5.412 ( -0.129 0.000 0.493) 0.509 5.470 ( -0.457 0.000 0.383) 0.596 5.550 ( 3.898 0.000 -0.090) 3.899 5.655 ( -0.662 0.000 -4.411) 4.460 5.662 ( 1.994 0.000 3.792) 4.284 5.688 ( -4.064 0.000 1.072) 4.203 5.752 ( -0.093 0.000 -1.351) 1.355 5.796 ( -1.256 0.000 -0.131) 1.263 5.841 ( -3.496 0.000 -0.085) 3.497 5.866 ( -0.518 0.000 -1.237) 1.340 5.988 ( 0.034 0.000 0.921) 0.922 6.038 ( -1.126 0.000 -0.383) 1.190 6.126 ( 0.117 0.000 -1.077) 1.084 6.137 ( -0.858 0.000 2.306) 2.461 6.154 ( 0.236 0.000 -2.249) 2.261 6.213 ( -2.105 0.000 2.285) 3.107 6.265 ( -1.290 0.000 -1.451) 1.941 6.304 ( -0.316 0.000 -3.591) 3.605 6.330 ( 1.480 0.000 1.366) 2.014 6.405 ( 0.513 0.000 1.927) 1.994 6.418 ( -0.749 0.000 -1.086) 1.319 6.542 ( 0.520 0.000 1.073) 1.192 6.563 ( -0.722 0.000 2.331) 2.440 6.627 ( 0.011 0.000 2.188) 2.188 6.636 ( 3.218 0.000 -3.144) 4.499 6.722 ( -2.059 0.000 1.509) 2.553 6.732 ( -1.770 0.000 5.464) 5.743 6.810 ( 0.821 0.000 -3.507) 3.601 6.856 ( 2.512 0.000 -2.220) 3.352 6.878 ( -1.697 0.000 -1.190) 2.072 6.903 ( -1.320 0.000 -0.200) 1.335 6.912 ( 1.634 0.000 1.828) 2.451 6.956 ( 0.949 0.000 -0.703) 1.182 6.958 ( 1.641 0.000 0.469) 1.706 7.004 ( 3.059 0.000 -1.267) 3.311 7.100 ( 0.165 0.000 -0.421) 0.452 7.151 ( 2.254 0.000 1.130) 2.522 7.253 ( -2.934 0.000 -2.519) 3.867 7.264 ( 0.303 0.000 2.032) 2.054 7.277 ( -0.617 0.000 1.722) 1.829 7.329 ( -2.298 0.000 -3.590) 4.263 7.334 ( 0.813 0.000 0.768) 1.119 7.348 ( 0.346 0.000 1.644) 1.680 7.394 ( -0.087 0.000 1.882) 1.884 7.412 ( -0.209 0.000 -4.138) 4.143 7.492 ( -0.980 0.000 3.174) 3.322 7.511 ( -2.302 0.000 -1.134) 2.567 7.586 ( -1.620 0.000 6.803) 6.993 7.633 ( 1.163 0.000 -2.935) 3.157 7.641 ( -0.355 0.000 0.428) 0.556 7.693 ( 1.208 0.000 -3.409) 3.616 7.759 ( -1.058 0.000 3.846) 3.989 7.813 ( 0.464 0.000 -4.053) 4.080 7.847 ( 1.276 0.000 0.723) 1.466 7.902 ( 4.734 0.000 -2.383) 5.300 7.996 ( 1.274 0.000 2.393) 2.711 8.002 ( -0.208 0.000 -2.222) 2.231 8.062 ( -1.926 0.000 2.629) 3.259 8.135 ( -2.099 0.000 0.388) 2.135 8.138 ( -0.097 0.000 -1.850) 1.853 8.144 ( 1.054 0.000 -1.307) 1.679 8.168 ( -0.661 0.000 0.493) 0.825 8.170 ( 0.155 0.000 -0.410) 0.438 8.222 ( 1.571 0.000 0.510) 1.652 8.284 ( 3.299 0.000 -2.264) 4.002 8.399 ( -0.991 0.000 4.647) 4.752 8.427 ( -0.512 0.000 -1.390) 1.481 8.542 ( -1.006 0.000 -0.443) 1.099 8.575 ( -0.327 0.000 -0.280) 0.431 8.704 ( 1.385 0.000 0.283) 1.414 8.713 ( 2.155 0.000 0.294) 2.175 8.799 ( -1.416 0.000 -0.645) 1.556 8.870 ( 2.990 0.000 1.032) 3.163 9.063 ( -2.527 0.000 0.104) 2.529 9.103 ( 0.533 0.000 0.247) 0.588 9.181 ( -1.924 0.000 0.951) 2.146 9.263 ( 1.234 0.000 -2.310) 2.619 9.306 ( -1.861 0.000 0.825) 2.035 9.316 ( -1.425 0.000 0.153) 1.433 11.498 ( 0.813 0.000 -0.354) 0.887 11.514 ( 1.675 0.000 0.585) 1.775 11.630 ( -1.155 0.000 0.561) 1.284 11.642 ( -0.666 0.000 -0.935) 1.148 11.706 ( -0.571 0.000 0.351) 0.671 11.719 ( 0.081 0.000 -0.289) 0.300 11.793 ( -1.225 0.000 -0.189) 1.240 11.795 ( -0.894 0.000 0.166) 0.909 12.135 ( -0.308 0.000 -0.296) 0.427 12.136 ( -0.125 0.000 0.267) 0.295 12.154 ( -0.337 0.000 0.855) 0.919 12.163 ( -0.143 0.000 -0.777) 0.790 14.533 ( -2.882 0.000 -0.178) 2.888 14.580 ( -0.732 0.000 0.388) 0.829 14.680 ( -0.470 0.000 -1.522) 1.593 14.721 ( 2.351 0.000 0.787) 2.479 14.847 ( 0.494 0.000 0.720) 0.873 14.856 ( -0.193 0.000 -0.881) 0.902 14.907 ( -1.872 0.000 -0.727) 2.008 14.940 ( 0.435 0.000 2.211) 2.253 15.120 ( -0.209 0.000 0.173) 0.271 15.128 ( 0.169 0.000 -0.583) 0.608 15.215 ( -0.967 0.000 0.182) 0.984 15.266 ( 1.766 0.000 1.434) 2.275 15.408 ( -2.492 0.000 -4.242) 4.920 15.489 ( 2.919 0.000 1.025) 3.093 15.593 ( 0.197 0.000 0.075) 0.211 15.599 ( 0.575 0.000 0.548) 0.794 15.972 ( -0.869 0.000 1.588) 1.810 16.018 ( 0.684 0.000 -1.831) 1.955 16.211 ( -1.255 0.000 -2.330) 2.646 16.211 ( -0.792 0.000 2.187) 2.326 16.414 ( -0.479 0.000 1.310) 1.395 16.440 ( 0.311 0.000 -1.787) 1.813 16.561 ( -1.474 0.000 0.309) 1.506 16.577 ( 0.096 0.000 4.173) 4.174 16.616 ( 0.581 0.000 0.015) 0.581 16.636 ( 2.412 0.000 -2.946) 3.807 16.719 ( -0.256 0.000 0.849) 0.887 16.775 ( 1.791 0.000 -0.461) 1.849 16.863 ( -1.392 0.000 0.394) 1.447 16.913 ( 1.184 0.000 -0.477) 1.277 17.176 ( -0.188 0.000 1.561) 1.572 17.227 ( 1.777 0.000 -2.963) 3.456 17.991 ( -1.079 0.000 0.975) 1.455 18.042 ( 1.408 0.000 -1.336) 1.941 18.112 ( -0.544 0.000 1.297) 1.407 18.129 ( -0.609 0.000 -2.407) 2.483 ======================= Grid point 40 (18/30) ======================= q-point: (-0.17 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 27 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.353 ( -10.843 0.000 12.908) 16.858 0.537 ( -16.502 0.000 16.160) 23.097 0.880 ( -17.412 0.000 28.107) 33.063 0.916 ( -4.123 0.000 -9.753) 10.589 1.074 ( -4.673 0.000 -12.774) 13.602 1.361 ( -4.537 0.000 5.637) 7.236 1.404 ( 9.710 0.000 -6.937) 11.933 1.445 ( 6.399 0.000 1.578) 6.591 1.470 ( 7.937 0.000 -6.373) 10.179 1.514 ( 0.129 0.000 0.518) 0.534 1.605 ( -2.457 0.000 4.732) 5.332 1.672 ( 0.633 0.000 1.461) 1.592 1.688 ( -1.341 0.000 -0.479) 1.424 1.730 ( 7.463 0.000 -2.531) 7.880 1.773 ( -1.513 0.000 -14.919) 14.995 1.841 ( 3.900 0.000 3.835) 5.469 1.916 ( -0.511 0.000 5.914) 5.936 1.961 ( 2.078 0.000 -6.501) 6.825 2.048 ( 4.408 0.000 0.557) 4.443 2.098 ( -1.546 0.000 -0.991) 1.836 2.107 ( 1.482 0.000 -0.704) 1.641 2.147 ( 3.973 0.000 -2.865) 4.899 2.180 ( -0.471 0.000 -0.405) 0.621 2.206 ( -0.860 0.000 3.779) 3.876 2.261 ( -0.315 0.000 2.325) 2.347 2.280 ( 5.026 0.000 0.362) 5.039 2.347 ( 1.320 0.000 1.324) 1.869 2.371 ( -0.253 0.000 0.662) 0.709 2.372 ( 3.241 0.000 -1.973) 3.795 2.402 ( -0.987 0.000 3.210) 3.358 2.417 ( 1.349 0.000 -2.655) 2.978 2.461 ( 0.880 0.000 -0.661) 1.101 2.513 ( 0.843 0.000 0.118) 0.851 2.533 ( 0.394 0.000 -1.469) 1.520 2.552 ( -3.476 0.000 0.011) 3.476 2.567 ( 1.047 0.000 -1.162) 1.564 2.587 ( 0.384 0.000 -2.509) 2.539 2.689 ( 0.118 0.000 1.571) 1.576 2.692 ( 1.205 0.000 0.494) 1.302 2.737 ( 0.171 0.000 -1.788) 1.796 2.767 ( -0.258 0.000 1.516) 1.537 2.796 ( -1.245 0.000 -2.447) 2.746 2.854 ( -0.165 0.000 -0.480) 0.507 2.883 ( -6.208 0.000 5.178) 8.084 2.942 ( 0.302 0.000 -0.931) 0.979 2.958 ( -3.604 0.000 2.183) 4.214 2.968 ( 0.463 0.000 -2.425) 2.468 3.004 ( -1.339 0.000 0.994) 1.668 3.293 ( -1.230 0.000 2.630) 2.904 3.303 ( 1.952 0.000 -0.710) 2.077 3.423 ( -0.893 0.000 -1.114) 1.428 3.435 ( -0.628 0.000 1.428) 1.560 3.654 ( 3.375 0.000 0.862) 3.483 3.742 ( 1.615 0.000 1.229) 2.030 3.790 ( -0.892 0.000 1.247) 1.533 3.799 ( -0.231 0.000 0.443) 0.500 3.874 ( -2.542 0.000 -1.089) 2.765 3.934 ( 0.446 0.000 -0.545) 0.704 3.975 ( 1.106 0.000 -3.684) 3.846 3.989 ( -1.660 0.000 2.926) 3.364 4.022 ( 3.800 0.000 3.609) 5.241 4.042 ( 3.399 0.000 0.187) 3.404 4.076 ( -0.347 0.000 -1.425) 1.466 4.081 ( -0.987 0.000 -3.173) 3.323 4.156 ( -0.047 0.000 3.727) 3.727 4.157 ( 3.150 0.000 -4.696) 5.655 4.238 ( -0.218 0.000 5.193) 5.198 4.291 ( 2.064 0.000 -1.132) 2.354 4.317 ( 0.868 0.000 2.004) 2.184 4.364 ( -0.707 0.000 2.414) 2.515 4.365 ( 6.426 0.000 2.032) 6.739 4.386 ( -0.080 0.000 -0.893) 0.896 4.435 ( -0.104 0.000 2.279) 2.281 4.486 ( 1.370 0.000 -0.945) 1.664 4.521 ( 0.861 0.000 0.085) 0.866 4.570 ( 2.457 0.000 4.818) 5.409 4.575 ( 3.843 0.000 -0.522) 3.878 4.595 ( -1.398 0.000 -1.960) 2.407 4.613 ( -0.057 0.000 -0.372) 0.377 4.653 ( 0.727 0.000 1.825) 1.965 4.688 ( 1.183 0.000 0.905) 1.490 4.710 ( 0.563 0.000 -2.524) 2.586 4.810 ( 1.732 0.000 -0.778) 1.898 4.838 ( -0.602 0.000 2.736) 2.801 4.894 ( -0.293 0.000 1.101) 1.140 4.904 ( -0.957 0.000 -0.733) 1.205 4.909 ( 0.902 0.000 -1.055) 1.388 4.977 ( -0.228 0.000 -2.714) 2.723 4.978 ( -1.080 0.000 0.822) 1.358 5.020 ( -0.418 0.000 2.009) 2.052 5.027 ( -1.535 0.000 -2.305) 2.769 5.073 ( 2.831 0.000 -3.138) 4.226 5.082 ( -2.693 0.000 1.004) 2.874 5.116 ( 1.274 0.000 0.342) 1.319 5.120 ( -1.970 0.000 -1.418) 2.428 5.158 ( 1.217 0.000 1.172) 1.689 5.237 ( -1.055 0.000 -3.337) 3.500 5.242 ( -1.130 0.000 0.800) 1.385 5.292 ( -1.469 0.000 -1.114) 1.844 5.313 ( 1.094 0.000 -2.564) 2.788 5.405 ( -1.320 0.000 -0.207) 1.336 5.410 ( -0.370 0.000 1.302) 1.353 5.485 ( 0.148 0.000 1.378) 1.386 5.593 ( -1.300 0.000 -2.468) 2.790 5.625 ( -1.167 0.000 1.249) 1.709 5.657 ( 2.813 0.000 0.235) 2.822 5.714 ( 0.940 0.000 0.163) 0.954 5.748 ( 0.524 0.000 0.180) 0.554 5.777 ( -0.762 0.000 0.034) 0.763 5.782 ( -2.850 0.000 0.537) 2.900 5.837 ( -1.072 0.000 0.019) 1.072 5.954 ( -3.438 0.000 2.223) 4.094 6.022 ( -1.194 0.000 -0.324) 1.238 6.121 ( 0.478 0.000 -4.096) 4.124 6.145 ( -0.781 0.000 1.641) 1.818 6.149 ( 0.369 0.000 1.111) 1.171 6.197 ( -1.202 0.000 1.195) 1.695 6.222 ( -1.501 0.000 -3.227) 3.558 6.288 ( 2.512 0.000 -4.227) 4.917 6.344 ( -2.434 0.000 2.062) 3.190 6.412 ( -0.325 0.000 0.568) 0.655 6.420 ( 1.832 0.000 -0.609) 1.931 6.552 ( -1.622 0.000 2.917) 3.337 6.572 ( 1.844 0.000 0.902) 2.052 6.619 ( -2.698 0.000 3.068) 4.085 6.681 ( 2.281 0.000 -2.838) 3.641 6.708 ( -0.773 0.000 0.984) 1.252 6.760 ( 0.316 0.000 5.927) 5.935 6.793 ( 2.522 0.000 -6.669) 7.130 6.841 ( 0.150 0.000 -2.137) 2.142 6.891 ( 0.262 0.000 1.440) 1.464 6.910 ( 1.214 0.000 0.767) 1.436 6.952 ( -0.457 0.000 -1.093) 1.184 6.967 ( 2.040 0.000 1.763) 2.696 6.984 ( 1.510 0.000 -0.644) 1.641 7.029 ( 0.794 0.000 -1.423) 1.629 7.135 ( 3.186 0.000 0.060) 3.186 7.191 ( 2.119 0.000 0.439) 2.164 7.196 ( -1.068 0.000 -0.125) 1.076 7.261 ( -2.829 0.000 -3.098) 4.195 7.264 ( -1.637 0.000 -0.441) 1.695 7.284 ( 0.265 0.000 1.915) 1.933 7.335 ( -1.057 0.000 1.102) 1.527 7.338 ( -1.420 0.000 1.136) 1.819 7.387 ( 0.159 0.000 -2.901) 2.905 7.428 ( -0.514 0.000 4.523) 4.552 7.443 ( -3.078 0.000 -2.105) 3.729 7.497 ( -0.314 0.000 2.369) 2.389 7.587 ( -2.602 0.000 4.914) 5.561 7.639 ( 0.061 0.000 0.379) 0.384 7.667 ( 3.505 0.000 -1.176) 3.697 7.701 ( 1.601 0.000 -1.428) 2.145 7.764 ( -1.345 0.000 2.816) 3.121 7.802 ( 1.784 0.000 -4.871) 5.187 7.865 ( -0.340 0.000 1.151) 1.200 7.928 ( -1.236 0.000 -2.250) 2.567 7.973 ( -0.250 0.000 -4.671) 4.678 8.018 ( 0.722 0.000 0.482) 0.868 8.053 ( -2.338 0.000 1.956) 3.048 8.102 ( -1.692 0.000 -1.326) 2.149 8.134 ( -0.715 0.000 -0.810) 1.080 8.138 ( 2.681 0.000 1.264) 2.964 8.158 ( 0.228 0.000 -0.814) 0.845 8.211 ( 3.640 0.000 -0.319) 3.654 8.245 ( 0.144 0.000 2.266) 2.270 8.332 ( 2.304 0.000 -2.798) 3.624 8.404 ( -2.268 0.000 4.428) 4.974 8.421 ( 1.808 0.000 -0.280) 1.830 8.542 ( 1.629 0.000 -0.684) 1.767 8.550 ( -1.621 0.000 -1.669) 2.327 8.744 ( -2.737 0.000 -0.899) 2.881 8.764 ( 3.474 0.000 2.266) 4.148 8.766 ( 3.012 0.000 -0.977) 3.166 8.931 ( 2.047 0.000 -2.943) 3.585 9.029 ( -1.894 0.000 1.646) 2.509 9.111 ( 0.546 0.000 -1.385) 1.489 9.127 ( -2.832 0.000 0.611) 2.897 9.257 ( -3.177 0.000 1.735) 3.619 9.282 ( 1.322 0.000 -2.183) 2.552 9.300 ( -1.014 0.000 1.736) 2.011 11.519 ( 1.867 0.000 -0.250) 1.884 11.550 ( 1.585 0.000 0.723) 1.742 11.610 ( -1.665 0.000 0.910) 1.897 11.619 ( -0.911 0.000 -1.381) 1.655 11.699 ( -0.358 0.000 0.393) 0.531 11.723 ( 0.472 0.000 -0.113) 0.485 11.764 ( -1.822 0.000 -0.287) 1.845 11.777 ( -1.153 0.000 -0.121) 1.159 12.129 ( -0.151 0.000 -0.085) 0.174 12.134 ( -0.210 0.000 0.193) 0.286 12.150 ( -0.588 0.000 0.657) 0.882 12.157 ( 0.024 0.000 -0.658) 0.659 14.492 ( -1.730 0.000 0.475) 1.794 14.556 ( -1.516 0.000 -1.244) 1.961 14.670 ( -0.431 0.000 0.221) 0.484 14.755 ( 1.476 0.000 -0.769) 1.664 14.836 ( -1.214 0.000 -1.378) 1.836 14.863 ( 0.865 0.000 0.188) 0.885 14.878 ( -0.756 0.000 -0.273) 0.804 14.929 ( -3.080 0.000 -3.454) 4.627 15.124 ( 0.034 0.000 1.328) 1.328 15.134 ( 0.476 0.000 0.327) 0.577 15.204 ( -0.364 0.000 0.170) 0.401 15.280 ( -1.332 0.000 -3.867) 4.090 15.407 ( 6.320 0.000 9.373) 11.304 15.542 ( 2.060 0.000 1.317) 2.446 15.598 ( 0.262 0.000 0.042) 0.265 15.615 ( 0.415 0.000 1.161) 1.233 15.969 ( -0.685 0.000 1.724) 1.855 16.016 ( 0.605 0.000 -1.778) 1.878 16.160 ( -2.648 0.000 -2.039) 3.342 16.197 ( -2.369 0.000 1.647) 2.886 16.411 ( -0.663 0.000 1.078) 1.266 16.435 ( 0.515 0.000 -1.602) 1.683 16.551 ( -0.252 0.000 0.973) 1.005 16.602 ( 0.130 0.000 -0.396) 0.417 16.647 ( 3.179 0.000 4.736) 5.704 16.677 ( 4.396 0.000 -2.427) 5.022 16.733 ( 0.723 0.000 1.697) 1.845 16.784 ( -0.569 0.000 -0.708) 0.908 16.853 ( -0.196 0.000 0.984) 1.003 16.926 ( 0.672 0.000 -0.882) 1.109 17.175 ( -0.843 0.000 0.341) 0.910 17.197 ( -3.413 0.000 -6.443) 7.291 17.980 ( -1.022 0.000 1.221) 1.592 18.034 ( -1.699 0.000 -4.024) 4.368 18.093 ( -0.909 0.000 -1.145) 1.462 18.105 ( -0.885 0.000 0.578) 1.057 ======================= Grid point 41 (19/30) ======================= q-point: ( 0.00 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.556 ( 1.388 12.214 14.051) 18.669 0.618 ( 0.695 14.209 15.440) 20.995 0.847 ( -2.152 6.187 -12.027) 13.696 0.977 ( 1.620 7.099 -10.570) 12.836 1.075 ( -7.295 13.542 20.622) 25.727 1.329 ( -1.205 -5.087 2.255) 5.694 1.366 ( -0.860 -4.507 3.798) 5.956 1.401 ( 0.361 -7.655 -5.047) 9.176 1.444 ( 2.855 -4.841 -5.471) 7.843 1.523 ( 1.242 -2.642 -4.973) 5.767 1.599 ( -1.560 -1.763 -1.537) 2.811 1.647 ( 0.525 -2.040 -1.079) 2.367 1.727 ( 2.874 -3.010 -2.277) 4.744 1.730 ( 2.136 3.467 3.013) 5.066 1.828 ( 4.821 6.943 -8.068) 11.685 1.880 ( -0.023 1.687 -5.286) 5.548 1.895 ( -1.529 -1.005 2.998) 3.512 1.988 ( -2.940 -3.727 -0.207) 4.751 2.026 ( -1.349 1.211 3.484) 3.928 2.091 ( -0.563 -1.105 -1.731) 2.129 2.145 ( 2.736 -0.169 1.107) 2.956 2.173 ( 0.506 2.984 1.201) 3.256 2.202 ( -4.165 -1.524 0.243) 4.442 2.207 ( 0.175 1.686 0.166) 1.703 2.241 ( -1.262 -0.273 4.621) 4.798 2.315 ( -0.516 -0.056 -1.410) 1.502 2.325 ( -3.033 -1.207 1.065) 3.433 2.344 ( 1.254 -2.614 0.453) 2.934 2.376 ( 4.396 -2.928 -0.841) 5.348 2.392 ( 0.322 -0.739 -1.522) 1.722 2.439 ( -0.643 -0.592 -2.517) 2.664 2.465 ( 2.862 -2.234 -3.259) 4.879 2.521 ( 0.338 -1.583 2.430) 2.920 2.541 ( -0.330 -0.144 0.427) 0.559 2.556 ( -1.328 -0.102 -2.003) 2.406 2.576 ( -1.224 1.139 -1.083) 1.992 2.611 ( 3.462 0.909 3.320) 4.882 2.659 ( -1.454 1.200 -0.366) 1.921 2.693 ( -1.863 -0.606 2.335) 3.048 2.724 ( 0.608 1.678 -0.272) 1.805 2.767 ( 2.723 -1.664 0.182) 3.196 2.818 ( -1.025 0.485 1.831) 2.154 2.826 ( -2.824 0.633 -3.103) 4.243 2.884 ( -0.823 0.972 0.385) 1.330 2.924 ( 0.306 1.411 0.588) 1.559 2.972 ( 0.891 2.875 -0.267) 3.022 2.993 ( 0.584 0.157 0.418) 0.735 3.016 ( 0.575 2.619 -1.363) 3.008 3.297 ( -0.782 2.028 1.996) 2.951 3.333 ( -0.445 2.406 -1.183) 2.718 3.429 ( 0.461 -0.205 1.907) 1.972 3.447 ( 0.303 1.155 0.059) 1.195 3.732 ( 3.562 -0.423 3.434) 4.966 3.775 ( -1.401 -0.273 1.797) 2.295 3.787 ( -1.204 1.135 -0.346) 1.690 3.814 ( 1.183 0.031 -0.404) 1.251 3.844 ( 0.845 0.422 0.700) 1.176 3.910 ( -1.793 0.486 -4.304) 4.688 3.921 ( -1.462 -1.000 -0.116) 1.775 3.954 ( 1.204 -1.724 -2.615) 3.356 4.026 ( -1.172 -1.490 1.765) 2.590 4.030 ( 0.106 -3.163 2.246) 3.880 4.090 ( -0.170 0.339 -1.025) 1.093 4.112 ( 2.362 0.283 1.509) 2.817 4.136 ( -0.651 -1.184 -0.237) 1.372 4.178 ( -0.559 -1.154 -3.536) 3.761 4.252 ( -3.089 -2.677 3.156) 5.164 4.285 ( 3.258 -4.684 2.245) 6.132 4.299 ( -0.240 -4.293 -0.006) 4.299 4.322 ( -0.777 -2.265 -0.020) 2.394 4.385 ( 1.591 -0.195 2.359) 2.852 4.392 ( -0.863 -0.567 -0.074) 1.035 4.434 ( -1.426 -3.183 0.452) 3.517 4.447 ( -0.823 0.630 -1.039) 1.467 4.506 ( -2.521 -1.778 4.154) 5.175 4.566 ( -0.445 -1.362 -0.946) 1.717 4.576 ( 0.059 -1.836 -1.487) 2.364 4.609 ( 1.716 -3.392 -3.712) 5.313 4.659 ( 0.677 1.540 2.372) 2.908 4.665 ( 0.949 1.019 0.258) 1.417 4.701 ( -0.172 -1.439 1.486) 2.076 4.734 ( 1.476 -1.542 -0.249) 2.149 4.779 ( -1.166 -1.445 2.405) 3.038 4.844 ( 0.681 -0.888 -2.530) 2.767 4.850 ( -0.411 0.001 0.446) 0.606 4.887 ( 0.634 0.631 -2.814) 2.953 4.918 ( 0.328 -1.313 0.315) 1.389 4.939 ( 0.231 0.593 -1.270) 1.420 4.984 ( -0.911 1.427 1.430) 2.216 5.018 ( -1.085 1.339 -0.657) 1.844 5.050 ( -0.268 2.825 -0.264) 2.850 5.071 ( -1.629 5.043 1.623) 5.542 5.099 ( -0.945 0.525 -0.268) 1.113 5.117 ( 0.343 1.122 -2.745) 2.985 5.178 ( 0.412 1.679 -1.169) 2.087 5.192 ( -0.103 4.039 -2.592) 4.800 5.206 ( -0.311 2.111 0.897) 2.314 5.245 ( 0.334 0.876 -2.091) 2.291 5.316 ( 0.760 2.582 2.624) 3.759 5.348 ( -0.217 2.893 -0.970) 3.059 5.400 ( 0.174 1.382 1.243) 1.867 5.419 ( 1.182 -0.229 0.904) 1.505 5.506 ( 0.730 0.618 0.819) 1.259 5.540 ( -1.907 -0.201 -3.204) 3.734 5.625 ( 0.331 0.067 4.064) 4.078 5.682 ( 0.079 -1.675 1.039) 1.973 5.710 ( -0.524 -0.730 -1.350) 1.622 5.738 ( 1.240 1.642 -2.403) 3.164 5.814 ( -0.367 3.624 -0.009) 3.642 5.834 ( 0.702 4.337 -0.931) 4.491 5.885 ( 2.192 0.444 3.972) 4.558 5.932 ( -2.521 0.352 0.732) 2.649 5.985 ( 0.106 -2.054 2.045) 2.900 6.078 ( 0.496 -1.566 -4.272) 4.576 6.105 ( 0.029 -2.937 1.732) 3.409 6.150 ( -0.320 -1.420 -0.384) 1.505 6.190 ( -2.405 2.985 -0.702) 3.897 6.213 ( 1.084 2.990 -1.666) 3.590 6.296 ( -2.198 -0.318 0.524) 2.282 6.345 ( 5.065 0.367 -4.060) 6.502 6.397 ( -0.953 -2.090 -0.062) 2.298 6.411 ( 2.521 -1.511 -1.248) 3.193 6.517 ( -1.824 -4.767 3.410) 6.138 6.566 ( 0.807 -3.301 -0.171) 3.402 6.592 ( -2.733 0.518 3.918) 4.805 6.660 ( -0.621 -0.146 -1.312) 1.458 6.700 ( -1.858 -0.202 1.498) 2.395 6.736 ( -2.279 -0.056 0.201) 2.288 6.817 ( 4.913 -2.195 -2.039) 5.754 6.830 ( -0.884 -2.372 -1.851) 3.136 6.919 ( -1.984 1.039 0.753) 2.363 6.923 ( 1.588 0.728 0.748) 1.901 6.944 ( -1.374 2.228 1.061) 2.825 6.979 ( 0.247 1.727 -0.361) 1.782 6.998 ( 0.653 -1.269 -0.374) 1.476 7.006 ( 0.187 -1.129 -2.519) 2.767 7.142 ( 0.343 -1.099 0.283) 1.186 7.148 ( 2.571 -3.331 0.213) 4.213 7.180 ( -2.726 -3.566 -0.653) 4.536 7.199 ( -0.982 -2.808 -1.998) 3.583 7.282 ( 1.495 -0.010 2.381) 2.812 7.296 ( 1.074 0.413 1.207) 1.668 7.323 ( -0.154 -0.889 1.236) 1.530 7.343 ( 0.628 -0.306 1.758) 1.892 7.357 ( 0.202 -0.163 -1.360) 1.384 7.407 ( -1.662 1.546 -3.259) 3.972 7.492 ( 1.290 1.410 1.488) 2.422 7.509 ( -0.603 0.031 0.307) 0.678 7.624 ( -0.247 1.676 3.255) 3.669 7.680 ( -2.241 -1.481 -1.096) 2.902 7.700 ( 2.041 1.155 1.363) 2.713 7.710 ( 0.614 2.721 -1.814) 3.327 7.775 ( -1.034 -0.564 3.041) 3.261 7.803 ( 0.259 0.220 -0.400) 0.525 7.835 ( 2.080 1.877 -4.996) 5.728 7.875 ( -2.266 1.901 -4.416) 5.315 7.982 ( 0.200 -1.307 0.677) 1.485 8.013 ( 2.286 -1.272 -1.978) 3.280 8.053 ( -0.217 0.302 1.835) 1.873 8.081 ( -0.191 1.752 -0.967) 2.010 8.116 ( 0.850 -0.889 0.112) 1.235 8.135 ( 0.079 0.333 -1.623) 1.659 8.209 ( 0.202 1.052 2.984) 3.170 8.249 ( -1.600 0.479 0.337) 1.704 8.298 ( 0.139 2.606 0.627) 2.684 8.332 ( -1.688 -0.462 -0.590) 1.847 8.377 ( 0.445 -1.280 4.786) 4.974 8.467 ( -0.975 -0.982 -0.926) 1.665 8.507 ( -0.977 0.450 0.036) 1.076 8.554 ( 2.069 0.975 -2.932) 3.718 8.709 ( -1.620 -1.685 0.983) 2.535 8.730 ( -1.100 -1.137 -0.853) 1.798 8.811 ( -1.973 -0.305 1.311) 2.388 8.824 ( 1.813 0.184 -0.025) 1.822 9.038 ( 0.573 1.529 3.210) 3.601 9.107 ( 0.096 0.401 -2.336) 2.372 9.182 ( 2.511 -1.353 1.265) 3.120 9.199 ( -2.731 0.003 -0.188) 2.738 9.282 ( -1.331 0.093 0.652) 1.485 9.298 ( 1.841 -0.647 -0.679) 2.067 11.548 ( -0.529 -0.241 0.365) 0.687 11.557 ( 1.120 -0.017 -0.403) 1.190 11.586 ( -1.639 0.001 1.072) 1.958 11.610 ( 1.159 -0.416 -0.985) 1.577 11.712 ( 0.253 0.809 0.626) 1.054 11.728 ( -0.486 0.647 -0.716) 1.081 11.751 ( 0.582 0.139 0.358) 0.697 11.759 ( -0.397 -0.116 -0.381) 0.562 12.130 ( 0.161 0.065 0.105) 0.202 12.132 ( -0.073 0.049 -0.128) 0.155 12.147 ( -0.400 0.256 0.431) 0.642 12.157 ( 0.302 0.020 -0.422) 0.519 14.510 ( 0.626 1.942 0.335) 2.068 14.537 ( -0.909 1.636 -2.019) 2.753 14.675 ( 0.807 0.080 4.062) 4.142 14.765 ( -2.099 -0.186 -4.333) 4.818 14.807 ( -0.179 -0.376 0.737) 0.847 14.826 ( 0.650 0.031 -0.832) 1.056 14.877 ( 0.027 0.310 0.044) 0.315 14.883 ( -0.670 0.554 -0.634) 1.076 15.140 ( 0.122 1.072 1.565) 1.901 15.160 ( 0.422 1.294 -0.051) 1.362 15.212 ( 0.034 0.454 0.931) 1.037 15.241 ( -0.635 -0.062 -1.410) 1.548 15.518 ( 4.426 -6.019 4.654) 8.802 15.553 ( -1.620 -2.316 -0.066) 2.827 15.583 ( 0.766 -1.878 1.114) 2.314 15.601 ( -0.554 -1.381 -0.300) 1.518 15.991 ( -0.433 2.005 2.102) 2.937 16.048 ( 0.033 2.079 -3.073) 3.710 16.141 ( 1.131 -1.653 0.800) 2.157 16.158 ( 0.563 -0.784 -0.651) 1.164 16.404 ( -0.051 -0.176 0.537) 0.567 16.435 ( 0.305 -0.201 -1.963) 1.996 16.559 ( -0.566 -1.606 2.268) 2.836 16.578 ( -1.127 -2.321 1.075) 2.795 16.620 ( -0.182 -1.803 1.374) 2.274 16.633 ( -0.819 -2.953 0.640) 3.130 16.748 ( -0.369 -1.020 0.144) 1.094 16.769 ( 1.927 0.089 -1.204) 2.274 16.960 ( 0.522 4.331 0.798) 4.434 17.025 ( -2.392 6.209 -5.460) 8.607 17.106 ( 2.231 -0.404 2.207) 3.164 17.151 ( -0.430 -0.271 -1.685) 1.760 18.011 ( -0.588 1.836 -0.282) 1.948 18.026 ( 0.525 2.903 -2.350) 3.772 18.093 ( 0.507 -0.011 0.054) 0.510 18.094 ( -0.143 0.010 -0.029) 0.146 ======================= Grid point 42 (20/30) ======================= q-point: ( 0.17 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.688 ( 4.769 7.330 13.139) 15.783 0.755 ( 1.984 6.317 -7.231) 9.804 0.758 ( 2.290 10.254 6.987) 12.618 0.988 ( 10.130 6.293 -12.970) 17.619 1.142 ( -1.401 5.649 14.852) 15.951 1.298 ( -4.634 -4.316 2.698) 6.883 1.325 ( -3.826 -3.030 -5.220) 7.145 1.433 ( 0.489 -3.405 -0.769) 3.525 1.451 ( 3.310 -2.576 6.930) 8.100 1.468 ( -1.857 -4.923 -3.949) 6.579 1.602 ( -1.140 -3.870 -2.408) 4.698 1.644 ( -0.743 -5.586 0.213) 5.639 1.739 ( 2.923 1.796 -4.576) 5.720 1.763 ( -0.668 3.128 2.312) 3.947 1.819 ( 2.728 1.479 -9.758) 10.240 1.857 ( -0.715 1.675 -1.485) 2.350 1.902 ( -1.192 4.939 -1.866) 5.412 1.943 ( -1.329 -0.241 3.866) 4.095 1.978 ( -4.294 -0.596 2.102) 4.818 2.042 ( -5.503 -3.173 0.578) 6.379 2.099 ( -5.009 -2.408 2.396) 6.052 2.162 ( -1.338 -0.698 -0.809) 1.713 2.180 ( 0.231 1.269 -1.132) 1.716 2.214 ( -3.164 -3.514 3.494) 5.879 2.239 ( 1.033 3.920 -2.880) 4.972 2.289 ( -0.089 1.967 2.458) 3.149 2.299 ( -1.044 0.296 0.451) 1.175 2.358 ( -1.330 -1.567 1.527) 2.561 2.378 ( 0.584 -0.027 -0.861) 1.041 2.408 ( 0.195 -1.706 -4.566) 4.878 2.449 ( -1.004 -1.609 -0.556) 1.976 2.487 ( 2.145 -0.570 -0.502) 2.276 2.494 ( -3.171 -0.438 2.340) 3.965 2.526 ( -1.294 0.066 0.400) 1.356 2.564 ( 2.650 0.967 0.440) 2.855 2.593 ( 2.274 3.563 -1.462) 4.473 2.625 ( 0.187 -0.139 -2.580) 2.591 2.658 ( -2.973 -1.391 -0.485) 3.318 2.704 ( 2.837 1.146 1.266) 3.311 2.721 ( 0.529 -1.573 -0.421) 1.712 2.781 ( 0.585 1.265 -3.615) 3.874 2.790 ( 0.105 -0.103 1.520) 1.527 2.835 ( 0.784 2.223 5.454) 5.942 2.884 ( 0.029 0.768 -0.072) 0.772 2.915 ( -1.057 0.838 -0.695) 1.518 2.986 ( 1.120 0.991 0.723) 1.661 3.011 ( 1.926 -0.903 -1.403) 2.548 3.062 ( 3.998 2.131 -0.483) 4.556 3.300 ( -0.570 4.143 1.500) 4.443 3.327 ( -0.791 0.845 0.729) 1.368 3.405 ( -2.050 -1.069 0.063) 2.313 3.470 ( 0.951 0.135 -0.646) 1.157 3.709 ( -3.521 1.066 -2.580) 4.493 3.763 ( -1.130 0.558 2.039) 2.397 3.815 ( 2.125 -1.179 0.951) 2.610 3.824 ( -1.041 0.320 -3.065) 3.253 3.868 ( 2.013 1.061 -0.794) 2.410 3.883 ( 0.505 -1.511 1.740) 2.359 3.910 ( 0.733 -1.084 0.925) 1.602 3.971 ( 1.081 -1.415 -0.382) 1.821 4.010 ( -0.929 -2.056 -0.338) 2.281 4.019 ( -1.838 -2.692 0.162) 3.264 4.049 ( -3.458 -0.895 1.695) 3.954 4.079 ( -3.684 -1.159 -0.690) 3.923 4.149 ( -0.313 -0.427 -4.753) 4.782 4.169 ( -0.512 -1.640 4.201) 4.539 4.247 ( -0.234 -3.284 4.932) 5.930 4.286 ( -2.994 -2.204 -0.781) 3.799 4.302 ( 0.295 -1.004 -1.878) 2.150 4.318 ( 0.872 -3.486 -1.073) 3.750 4.352 ( -2.450 0.185 1.269) 2.766 4.411 ( -0.365 0.206 1.604) 1.658 4.426 ( 0.466 -1.085 0.485) 1.276 4.464 ( 1.240 0.824 -0.062) 1.490 4.479 ( -2.251 0.491 2.328) 3.275 4.541 ( -2.685 -1.398 1.456) 3.359 4.571 ( -0.367 -1.151 -0.515) 1.313 4.612 ( -1.612 -2.423 -1.381) 3.221 4.645 ( -0.912 -0.153 -0.963) 1.335 4.671 ( 0.109 1.533 -0.370) 1.581 4.687 ( 0.646 0.433 -0.259) 0.820 4.718 ( -0.951 0.353 -1.737) 2.012 4.784 ( -1.582 -2.937 1.796) 3.789 4.817 ( 0.534 1.155 0.570) 1.395 4.869 ( 1.503 -0.241 -0.509) 1.605 4.887 ( 0.014 -2.282 -0.620) 2.365 4.930 ( 0.873 -1.246 -0.846) 1.740 4.957 ( 1.835 -1.421 -1.720) 2.889 4.997 ( 0.383 0.572 1.720) 1.852 5.026 ( 1.434 2.822 3.208) 4.507 5.038 ( -1.213 4.051 -0.628) 4.275 5.057 ( -0.282 2.481 -0.412) 2.530 5.072 ( -1.340 2.367 0.207) 2.728 5.123 ( -0.422 1.210 0.319) 1.321 5.157 ( -1.573 2.075 0.957) 2.773 5.198 ( 1.398 0.084 -1.220) 1.857 5.214 ( 0.489 2.027 1.512) 2.576 5.227 ( 0.114 1.948 -2.390) 3.086 5.309 ( -1.496 3.033 1.208) 3.591 5.349 ( 0.351 2.683 -1.164) 2.945 5.422 ( 0.386 0.465 0.435) 0.745 5.435 ( 0.495 -0.302 -0.888) 1.060 5.502 ( -0.150 -0.711 -1.212) 1.413 5.533 ( 1.656 0.710 2.045) 2.726 5.617 ( -4.085 -1.590 -0.676) 4.435 5.687 ( 2.079 1.959 3.771) 4.730 5.715 ( 1.873 1.384 -4.660) 5.209 5.762 ( 2.448 -0.391 0.248) 2.491 5.834 ( 1.107 3.100 -2.135) 3.924 5.848 ( 2.143 3.971 0.795) 4.582 5.886 ( -1.943 0.677 -2.056) 2.908 5.938 ( 0.718 -0.937 3.504) 3.698 6.018 ( 1.137 -1.284 2.622) 3.133 6.065 ( 1.565 -1.241 -4.347) 4.784 6.132 ( 1.516 -2.947 1.865) 3.803 6.144 ( -0.083 -1.557 -2.522) 2.965 6.166 ( 0.082 1.609 3.195) 3.578 6.224 ( 0.827 2.834 -0.721) 3.039 6.273 ( 0.341 0.605 -0.978) 1.200 6.376 ( -0.199 -3.285 -3.256) 4.630 6.393 ( 1.373 -1.186 -1.784) 2.544 6.449 ( 2.371 -0.707 -0.963) 2.655 6.505 ( -2.354 -4.667 2.899) 5.977 6.574 ( -1.048 -3.351 1.878) 3.982 6.585 ( 0.016 0.023 4.564) 4.564 6.638 ( -2.653 0.718 1.747) 3.256 6.656 ( -1.720 -0.566 -0.323) 1.839 6.697 ( -1.922 0.914 -0.191) 2.137 6.804 ( -0.210 -3.416 -1.876) 3.903 6.876 ( 2.313 -0.341 -1.736) 2.912 6.900 ( -0.407 1.759 1.168) 2.150 6.942 ( -0.657 1.583 -0.213) 1.728 6.959 ( 0.604 0.862 1.004) 1.454 6.963 ( -0.452 0.692 0.171) 0.844 6.997 ( 1.010 -0.106 -1.812) 2.077 7.009 ( 0.535 -0.937 0.059) 1.080 7.106 ( -3.030 -2.058 -1.240) 3.867 7.176 ( 1.745 -1.419 0.403) 2.284 7.183 ( 1.750 -1.076 0.383) 2.090 7.215 ( 1.368 -2.871 0.908) 3.307 7.287 ( -2.158 1.745 -1.701) 3.255 7.310 ( -0.184 -0.418 -0.176) 0.490 7.326 ( 0.865 -0.956 0.949) 1.601 7.346 ( 0.631 -0.977 -1.580) 1.962 7.375 ( 0.773 2.180 0.613) 2.393 7.411 ( 3.125 -1.191 1.207) 3.556 7.502 ( 0.172 -0.602 -1.292) 1.436 7.520 ( 0.586 0.690 1.109) 1.432 7.600 ( -4.058 0.202 2.269) 4.653 7.623 ( -1.849 -1.872 -1.534) 3.046 7.671 ( -1.633 2.254 -0.478) 2.824 7.752 ( -0.617 1.814 0.888) 2.112 7.767 ( 0.111 0.428 2.292) 2.334 7.834 ( 1.017 0.649 -2.464) 2.744 7.840 ( 0.853 0.261 2.492) 2.647 7.848 ( 2.428 0.459 -3.570) 4.341 7.961 ( -1.102 -0.953 -1.637) 2.192 8.021 ( -2.342 -0.160 -0.428) 2.386 8.049 ( -1.578 -1.010 0.974) 2.112 8.086 ( 2.753 -0.360 -1.763) 3.289 8.119 ( -1.070 -1.544 0.923) 2.093 8.161 ( 3.641 0.903 -2.608) 4.568 8.191 ( -1.648 1.405 0.358) 2.195 8.217 ( -3.598 1.126 1.213) 3.960 8.285 ( 0.737 0.623 2.002) 2.222 8.326 ( -0.928 2.043 -0.394) 2.278 8.404 ( -2.818 2.229 2.539) 4.399 8.451 ( 1.102 -2.218 0.678) 2.568 8.499 ( 0.880 0.212 -1.086) 1.414 8.555 ( -0.839 2.098 -1.208) 2.562 8.663 ( -0.123 -2.989 2.204) 3.716 8.749 ( -0.868 -3.331 -0.955) 3.572 8.801 ( 0.019 0.707 0.063) 0.710 8.829 ( -1.667 -1.011 1.116) 2.246 9.079 ( 1.060 1.552 0.828) 2.054 9.101 ( 1.789 1.999 -0.068) 2.684 9.174 ( 1.828 0.706 -2.317) 3.035 9.217 ( -1.203 -1.723 2.431) 3.214 9.288 ( 2.267 0.525 -0.575) 2.397 9.324 ( 1.375 -0.320 -0.442) 1.479 11.521 ( -1.767 0.106 -0.104) 1.773 11.548 ( -2.053 -0.539 0.415) 2.163 11.596 ( 1.577 0.149 0.309) 1.614 11.626 ( 1.233 -0.501 -0.816) 1.561 11.718 ( 0.046 0.737 0.226) 0.773 11.725 ( 0.464 1.074 -0.066) 1.172 11.762 ( 1.000 -0.250 -0.237) 1.058 11.773 ( 1.534 0.018 0.163) 1.543 12.131 ( 0.088 0.123 -0.177) 0.233 12.135 ( 0.240 -0.064 0.063) 0.256 12.146 ( -0.031 0.359 0.487) 0.605 12.162 ( 0.550 -0.082 -0.349) 0.656 14.525 ( 1.262 1.473 -0.599) 2.030 14.548 ( 2.582 2.074 0.428) 3.340 14.692 ( -1.378 -0.366 -0.422) 1.487 14.744 ( 1.188 1.415 1.262) 2.237 14.798 ( -0.159 -0.914 0.004) 0.928 14.856 ( 1.890 -0.985 -0.512) 2.192 14.871 ( -0.367 0.217 -0.114) 0.441 14.884 ( 0.599 0.175 0.931) 1.120 15.145 ( -0.182 1.169 0.346) 1.233 15.168 ( 0.553 1.103 -0.798) 1.470 15.216 ( -0.452 0.053 0.484) 0.664 15.227 ( -0.088 0.412 0.345) 0.545 15.496 ( -3.180 -2.034 -2.454) 4.503 15.567 ( 0.279 -2.827 0.436) 2.874 15.571 ( -1.925 -1.444 -0.338) 2.430 15.602 ( -0.222 -2.403 0.572) 2.480 15.997 ( -0.653 2.156 2.232) 3.171 16.034 ( 0.465 1.875 -2.295) 3.000 16.138 ( 0.477 -1.018 -0.461) 1.215 16.201 ( 2.251 -3.785 -0.994) 4.514 16.409 ( 0.022 0.280 0.538) 0.606 16.431 ( 0.722 -0.377 -1.428) 1.644 16.548 ( -2.236 -2.043 3.075) 4.316 16.573 ( -0.288 -0.298 0.545) 0.685 16.614 ( -0.625 0.888 0.361) 1.145 16.620 ( -1.146 -4.596 0.561) 4.770 16.734 ( -0.066 0.041 -0.716) 0.720 16.815 ( 2.581 -0.863 -1.085) 2.929 16.929 ( -3.600 5.583 -0.593) 6.669 16.971 ( -1.174 4.879 1.032) 5.124 17.118 ( -0.129 -1.821 -0.625) 1.930 17.177 ( 2.180 -1.491 -0.958) 2.809 17.990 ( -0.332 1.293 0.302) 1.369 18.035 ( -0.006 0.693 -0.572) 0.899 18.098 ( 0.604 0.972 -0.396) 1.211 18.115 ( 1.891 0.029 -0.447) 1.943 ======================= Grid point 43 (21/30) ======================= q-point: ( 0.33 0.20 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.748 ( 5.693 5.396 -6.251) 10.030 0.891 ( 9.236 6.266 8.030) 13.750 0.894 ( 7.733 2.266 4.471) 9.216 1.095 ( 4.048 1.358 -5.307) 6.812 1.141 ( -4.170 0.863 -4.090) 5.905 1.217 ( -3.282 -0.583 4.041) 5.239 1.290 ( -0.133 0.350 5.467) 5.480 1.408 ( -1.716 1.005 -2.795) 3.430 1.423 ( -2.532 -10.122 -0.507) 10.446 1.452 ( -5.514 -6.525 -0.434) 8.554 1.556 ( -0.403 0.540 3.755) 3.815 1.663 ( 1.497 -3.734 -2.755) 4.876 1.712 ( -7.359 1.876 4.614) 8.886 1.765 ( -0.834 -1.654 1.948) 2.688 1.788 ( -2.529 1.001 -0.059) 2.721 1.831 ( 3.138 3.224 -10.064) 11.024 1.886 ( -1.575 0.444 -5.587) 5.821 1.919 ( -0.033 2.059 -4.201) 4.679 1.948 ( -0.669 0.483 3.757) 3.847 1.955 ( -3.551 -4.696 4.774) 7.580 2.093 ( -0.023 -1.660 2.450) 2.960 2.127 ( 0.075 -2.245 -2.916) 3.681 2.171 ( -0.517 -2.066 -1.028) 2.365 2.179 ( -3.038 -1.067 3.052) 4.437 2.246 ( 3.489 5.820 -3.763) 7.759 2.291 ( -0.267 0.459 1.418) 1.514 2.320 ( -0.381 1.391 0.430) 1.505 2.346 ( -0.078 0.297 1.402) 1.436 2.355 ( -0.645 0.437 -2.850) 2.955 2.379 ( -0.187 1.441 -0.012) 1.453 2.421 ( -2.631 -1.073 2.871) 4.040 2.474 ( -1.647 3.974 2.493) 4.972 2.498 ( 0.222 1.208 0.769) 1.449 2.514 ( -2.547 2.022 3.837) 5.030 2.571 ( -2.690 -2.072 -0.995) 3.538 2.599 ( 1.286 3.521 -1.977) 4.237 2.646 ( 3.636 1.566 -2.071) 4.468 2.658 ( 3.358 -1.362 -0.803) 3.711 2.697 ( 0.450 0.505 -1.978) 2.090 2.749 ( -0.198 2.199 -0.837) 2.361 2.786 ( 0.774 -0.254 -0.546) 0.980 2.822 ( 2.236 -0.830 0.275) 2.401 2.840 ( -1.839 3.079 0.553) 3.629 2.911 ( 3.055 1.350 4.762) 5.817 2.934 ( -0.241 -1.791 -0.970) 2.051 2.996 ( 1.553 -1.109 0.286) 1.930 3.032 ( 1.165 -1.223 -1.550) 2.293 3.114 ( 2.248 1.681 -1.624) 3.243 3.279 ( -2.497 3.433 0.076) 4.246 3.290 ( -3.532 0.360 -0.173) 3.555 3.389 ( -0.952 -1.365 2.520) 3.020 3.469 ( 0.321 -0.463 -2.181) 2.253 3.656 ( -0.338 1.411 -2.235) 2.665 3.762 ( -1.248 -0.421 -4.549) 4.736 3.781 ( 0.712 -0.467 1.864) 2.049 3.838 ( 0.957 -0.303 -0.444) 1.098 3.901 ( 1.575 -1.249 0.684) 2.123 3.913 ( -0.100 -2.360 1.554) 2.827 3.921 ( -1.227 -3.367 1.612) 3.930 3.955 ( -2.359 -1.226 -1.391) 3.000 3.979 ( -0.617 -2.646 -0.732) 2.814 4.014 ( -1.001 -2.000 -0.367) 2.266 4.018 ( 1.502 -3.879 0.277) 4.169 4.031 ( -2.110 -0.700 1.032) 2.451 4.103 ( -0.775 2.425 -2.222) 3.380 4.168 ( -2.065 -1.965 3.443) 4.469 4.203 ( -5.720 0.199 0.613) 5.756 4.264 ( -1.643 -0.949 -3.034) 3.579 4.293 ( 1.361 1.534 1.974) 2.846 4.318 ( 0.160 -0.913 -1.918) 2.130 4.336 ( -1.144 -0.955 1.956) 2.459 4.418 ( -0.559 0.132 0.867) 1.040 4.434 ( 0.739 1.098 1.678) 2.137 4.453 ( -1.371 1.317 -0.988) 2.142 4.477 ( -0.040 1.725 2.595) 3.116 4.503 ( -0.894 -0.111 0.258) 0.937 4.553 ( -0.906 -0.936 -0.237) 1.324 4.610 ( -0.408 -0.323 3.064) 3.108 4.638 ( -0.521 0.699 -1.241) 1.516 4.670 ( 1.457 -0.529 -3.232) 3.584 4.700 ( 0.183 2.511 1.687) 3.030 4.715 ( 2.700 0.918 -2.414) 3.737 4.776 ( 0.270 -2.383 0.785) 2.523 4.833 ( 0.219 1.184 0.222) 1.225 4.879 ( 0.119 -2.779 -0.101) 2.783 4.883 ( -0.803 -1.297 0.429) 1.584 4.921 ( -1.641 -2.329 0.198) 2.856 4.973 ( -1.941 2.825 1.143) 3.613 4.986 ( -0.030 -2.086 -3.745) 4.287 5.022 ( 0.116 3.598 -1.615) 3.946 5.041 ( -0.504 2.661 0.691) 2.795 5.075 ( 1.159 2.102 3.348) 4.120 5.078 ( 1.480 0.097 2.397) 2.818 5.105 ( -0.645 2.513 0.172) 2.600 5.163 ( 0.208 1.890 2.779) 3.367 5.202 ( 0.266 -0.347 -0.720) 0.843 5.232 ( 0.830 0.329 -0.251) 0.928 5.252 ( 2.478 -0.270 1.388) 2.853 5.291 ( -2.191 -0.005 0.974) 2.398 5.337 ( -0.251 4.061 -1.353) 4.288 5.414 ( -0.609 -1.930 -1.355) 2.435 5.425 ( -1.042 -0.738 -0.562) 1.395 5.508 ( 1.177 -0.551 -1.043) 1.666 5.547 ( -2.607 -0.270 -1.510) 3.025 5.588 ( 2.005 1.952 3.437) 4.432 5.714 ( 1.776 0.283 -2.609) 3.169 5.746 ( 2.025 1.721 -2.007) 3.330 5.809 ( 1.308 -0.460 1.525) 2.061 5.819 ( -0.501 3.798 -2.698) 4.686 5.837 ( 0.121 1.292 -2.649) 2.950 5.905 ( 2.810 3.452 0.390) 4.468 5.952 ( -1.711 -0.371 3.258) 3.698 6.041 ( 0.766 -2.608 0.372) 2.744 6.078 ( 1.897 -0.292 -1.646) 2.528 6.130 ( 1.051 -2.385 -2.204) 3.414 6.166 ( 0.329 -2.161 -0.219) 2.196 6.201 ( 0.903 -1.151 2.129) 2.583 6.249 ( 2.177 -0.297 0.859) 2.360 6.284 ( 0.683 1.830 -0.324) 1.980 6.338 ( -0.856 -2.145 -3.325) 4.048 6.383 ( -1.604 -1.612 1.155) 2.550 6.465 ( -0.797 -2.184 -1.283) 2.655 6.486 ( -0.043 -1.303 1.847) 2.260 6.539 ( -4.266 -2.455 4.125) 6.422 6.609 ( 0.172 0.563 -0.845) 1.030 6.646 ( 1.846 -1.034 3.553) 4.136 6.665 ( -0.423 -1.174 2.984) 3.235 6.685 ( 2.288 0.196 -2.092) 3.106 6.791 ( -0.051 -2.193 -0.235) 2.206 6.875 ( -1.345 2.053 -0.596) 2.526 6.900 ( -0.535 0.267 -0.257) 0.650 6.921 ( 0.259 0.797 -1.282) 1.531 6.949 ( -0.766 1.374 0.501) 1.651 6.968 ( -0.209 -0.416 -1.166) 1.255 6.995 ( -0.683 0.265 -2.681) 2.779 7.024 ( 0.589 1.123 0.052) 1.270 7.074 ( 0.147 0.757 0.564) 0.956 7.187 ( -3.220 -0.465 1.353) 3.523 7.215 ( 2.539 0.728 -0.163) 2.646 7.228 ( -0.697 1.092 2.645) 2.946 7.253 ( 1.061 -1.186 -0.513) 1.672 7.300 ( -0.357 -0.914 -0.851) 1.299 7.336 ( 0.052 -1.406 -1.009) 1.731 7.367 ( 1.884 -1.241 -0.165) 2.262 7.397 ( 1.311 0.838 -0.387) 1.603 7.455 ( 0.228 0.011 0.173) 0.287 7.499 ( 0.870 -1.100 -1.795) 2.278 7.525 ( -0.493 -0.393 0.635) 0.895 7.553 ( -2.611 -1.364 3.298) 4.422 7.609 ( 0.992 -3.075 -1.526) 3.573 7.654 ( -0.242 3.799 0.267) 3.816 7.729 ( -0.739 0.731 -1.489) 1.816 7.797 ( 1.001 1.010 1.894) 2.369 7.821 ( -1.931 -1.235 -0.243) 2.305 7.836 ( -0.953 0.515 -1.912) 2.197 7.881 ( 1.211 0.395 -0.172) 1.285 7.934 ( -0.763 0.098 0.501) 0.918 8.000 ( -0.157 -0.327 1.356) 1.404 8.022 ( -0.913 -3.082 -0.547) 3.261 8.100 ( -1.724 -1.435 0.723) 2.356 8.115 ( 1.570 -0.330 -0.458) 1.669 8.149 ( -0.801 -0.707 -1.250) 1.644 8.192 ( 1.617 2.921 0.521) 3.379 8.232 ( 1.863 -0.217 -2.077) 2.798 8.276 ( -2.084 2.745 0.143) 3.449 8.304 ( -1.730 3.578 0.173) 3.978 8.377 ( -1.149 1.104 3.135) 3.516 8.460 ( -0.420 -0.763 -0.736) 1.141 8.515 ( 1.484 -0.908 -0.307) 1.766 8.554 ( 0.646 0.440 0.664) 1.026 8.665 ( -1.756 -5.032 0.950) 5.413 8.729 ( -0.237 -3.751 -2.083) 4.297 8.770 ( -1.433 0.919 0.321) 1.732 8.819 ( -0.691 -1.143 0.492) 1.424 9.096 ( 1.363 1.685 -0.480) 2.220 9.136 ( 0.595 3.438 0.510) 3.527 9.190 ( -0.413 -0.996 1.829) 2.123 9.229 ( 2.681 0.745 -0.846) 2.908 9.321 ( 1.313 0.344 -0.170) 1.368 9.338 ( 0.671 0.604 -0.474) 1.019 11.496 ( -0.926 0.175 0.019) 0.943 11.516 ( -1.714 -0.310 0.170) 1.750 11.620 ( 1.002 -0.435 0.160) 1.104 11.639 ( 0.749 -0.679 -0.755) 1.262 11.723 ( 0.149 1.070 0.485) 1.184 11.733 ( 0.646 1.515 -0.456) 1.709 11.782 ( 1.000 -0.523 0.378) 1.191 11.798 ( 1.105 -0.029 -0.087) 1.109 12.133 ( 0.195 0.158 -0.052) 0.257 12.139 ( 0.173 -0.118 0.039) 0.213 12.150 ( 0.064 0.365 0.465) 0.595 12.168 ( 0.390 -0.144 -0.462) 0.621 14.553 ( 2.224 1.391 -0.528) 2.676 14.606 ( 3.019 2.694 1.255) 4.236 14.657 ( -1.600 -0.531 -1.320) 2.141 14.751 ( -1.217 1.938 -0.120) 2.292 14.819 ( 1.093 -1.201 2.248) 2.773 14.863 ( 0.150 -0.354 -0.946) 1.022 14.872 ( 0.626 -0.697 0.229) 0.964 14.912 ( 0.678 -1.250 1.769) 2.270 15.143 ( 0.011 0.649 -0.703) 0.957 15.162 ( -0.102 1.199 -1.728) 2.106 15.207 ( -0.091 -0.367 -0.139) 0.403 15.237 ( -0.539 -0.172 1.986) 2.065 15.442 ( -0.387 0.419 -2.803) 2.860 15.527 ( -2.124 -0.217 -1.654) 2.700 15.570 ( -0.046 -2.121 0.433) 2.165 15.592 ( -0.960 -1.460 0.262) 1.766 15.998 ( -0.823 2.149 1.868) 2.964 16.032 ( 0.881 1.820 -2.080) 2.901 16.154 ( 1.095 -1.774 0.575) 2.162 16.211 ( -0.083 -4.115 -0.719) 4.178 16.412 ( 0.040 0.767 0.723) 1.055 16.441 ( 1.177 -0.080 -1.051) 1.580 16.538 ( -1.054 -1.169 2.363) 2.839 16.570 ( -0.109 -1.327 -0.034) 1.332 16.601 ( -0.937 -2.416 -0.162) 2.596 16.609 ( -0.521 -0.839 0.029) 0.988 16.742 ( 1.534 1.703 -0.364) 2.321 16.823 ( -1.237 2.681 -0.548) 3.003 16.888 ( -0.458 1.776 -0.310) 1.860 16.951 ( -1.484 4.190 -0.390) 4.462 17.123 ( 0.011 -3.361 1.819) 3.821 17.187 ( 0.188 -2.387 -1.108) 2.638 17.998 ( 0.588 -0.020 0.447) 0.739 18.023 ( -0.892 -0.037 0.035) 0.893 18.109 ( 0.661 1.365 0.329) 1.552 18.137 ( 0.962 0.030 -0.617) 1.144 ======================= Grid point 44 (22/30) ======================= q-point: (-0.50 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( 6.822 0.102 0.724) 6.861 0.898 ( -11.806 1.813 -1.922) 12.098 0.960 ( -8.179 0.693 5.057) 9.641 1.101 ( 6.726 6.155 -0.668) 9.142 1.167 ( 7.310 -1.488 -2.107) 7.752 1.211 ( 1.512 -3.658 7.088) 8.118 1.284 ( -4.871 -0.445 -6.757) 8.342 1.380 ( 2.573 0.263 -4.532) 5.218 1.388 ( 3.221 -1.873 1.486) 4.011 1.441 ( 0.775 -3.466 -1.384) 3.811 1.600 ( 1.520 2.163 3.091) 4.067 1.606 ( -6.463 2.509 8.803) 11.206 1.685 ( 2.274 -1.953 -2.349) 3.808 1.708 ( -4.690 -0.545 5.133) 6.975 1.758 ( -6.363 2.918 1.464) 7.152 1.799 ( 1.469 -2.778 -4.038) 5.116 1.827 ( 2.582 -0.271 -7.037) 7.501 1.889 ( -1.080 -2.338 -3.692) 4.502 1.972 ( 2.105 -3.314 -0.270) 3.935 1.978 ( 2.663 -4.679 -0.200) 5.388 2.101 ( 1.512 -4.292 -1.256) 4.721 2.116 ( -0.607 -2.159 -1.967) 2.984 2.143 ( -2.234 0.484 2.055) 3.074 2.186 ( 1.862 0.985 0.061) 2.107 2.252 ( -5.734 1.952 1.587) 6.261 2.275 ( 1.354 0.761 -2.566) 2.999 2.311 ( 0.462 3.404 1.002) 3.579 2.338 ( 0.420 2.076 0.771) 2.254 2.382 ( -0.312 1.352 -0.341) 1.429 2.396 ( 1.329 3.265 -0.131) 3.528 2.430 ( 1.864 0.995 3.938) 4.469 2.461 ( -0.432 0.764 2.612) 2.756 2.507 ( -1.307 1.009 0.957) 1.908 2.508 ( -0.466 2.504 3.563) 4.379 2.549 ( 1.696 2.186 -0.469) 2.807 2.606 ( 1.046 1.831 -3.778) 4.327 2.653 ( -1.915 1.279 0.658) 2.395 2.697 ( 3.643 1.751 -3.080) 5.081 2.723 ( -0.737 0.595 0.391) 1.024 2.743 ( 0.676 -0.396 -0.284) 0.833 2.791 ( 3.046 1.042 0.276) 3.231 2.829 ( -1.875 0.443 0.760) 2.071 2.855 ( 1.067 0.314 -2.262) 2.521 2.888 ( -1.000 0.233 -2.882) 3.059 2.965 ( -0.487 0.416 3.381) 3.441 3.019 ( -0.373 -1.300 -1.573) 2.074 3.036 ( -1.625 -0.787 3.898) 4.296 3.114 ( -0.038 -0.580 -3.097) 3.151 3.243 ( -0.206 2.113 -0.478) 2.176 3.249 ( 0.377 0.674 -1.071) 1.321 3.391 ( -1.050 0.212 3.654) 3.808 3.459 ( 0.396 -0.494 -2.582) 2.658 3.662 ( 1.338 0.028 -0.193) 1.352 3.697 ( -2.457 -1.519 -3.759) 4.741 3.836 ( 3.487 -1.942 1.273) 4.189 3.846 ( 0.303 -0.387 -0.359) 0.609 3.861 ( -3.035 -0.047 -1.114) 3.234 3.877 ( -2.236 -1.795 -1.697) 3.332 3.941 ( 1.635 -1.757 1.250) 2.707 3.949 ( 0.496 -1.808 0.544) 1.953 3.971 ( -1.454 -3.906 2.146) 4.688 4.006 ( -0.303 -1.997 -0.447) 2.068 4.030 ( 1.201 -3.075 -0.327) 3.318 4.037 ( 1.001 -3.944 -2.100) 4.579 4.112 ( -3.330 1.199 1.137) 3.718 4.125 ( 3.013 2.022 0.204) 3.634 4.162 ( -1.340 -1.453 4.279) 4.714 4.228 ( -0.047 2.827 -2.625) 3.858 4.290 ( -1.242 2.182 0.074) 2.512 4.318 ( 0.850 -1.792 -2.723) 3.369 4.360 ( 1.467 1.590 4.719) 5.191 4.407 ( -0.962 0.500 -0.510) 1.198 4.425 ( -0.950 1.090 -0.375) 1.494 4.458 ( 0.147 0.649 -1.925) 2.037 4.490 ( -1.059 -0.670 4.240) 4.422 4.517 ( 2.848 0.672 1.557) 3.315 4.556 ( 0.707 2.015 0.549) 2.205 4.599 ( -2.143 2.113 1.290) 3.274 4.619 ( -0.519 1.533 -1.879) 2.479 4.680 ( 2.150 -0.776 -3.738) 4.381 4.702 ( -1.428 1.892 1.613) 2.867 4.749 ( 1.652 0.676 -1.612) 2.405 4.803 ( 1.177 -2.255 1.946) 3.203 4.843 ( 0.916 0.219 1.153) 1.489 4.846 ( -3.064 -2.247 -0.337) 3.815 4.889 ( 0.363 -3.672 0.730) 3.762 4.900 ( -0.168 -0.859 0.309) 0.928 4.920 ( -0.766 -0.986 -3.174) 3.411 4.976 ( -0.522 3.557 0.088) 3.596 5.014 ( 0.816 2.408 -2.836) 3.809 5.047 ( -0.619 2.579 3.174) 4.136 5.100 ( 0.338 1.397 2.073) 2.523 5.112 ( 0.544 3.457 -0.568) 3.545 5.118 ( 0.409 2.074 1.637) 2.674 5.189 ( -0.364 0.960 3.686) 3.826 5.219 ( -3.525 -0.863 -0.144) 3.632 5.229 ( 0.172 -3.250 -0.044) 3.255 5.248 ( 3.186 -0.753 0.393) 3.297 5.307 ( 0.348 -2.151 1.113) 2.447 5.327 ( 0.905 2.211 -1.657) 2.908 5.397 ( -0.048 -0.803 -0.378) 0.889 5.400 ( -1.126 -0.799 -1.031) 1.723 5.511 ( -0.977 1.282 -0.786) 1.793 5.519 ( 0.992 0.137 -1.372) 1.699 5.633 ( 0.679 1.994 3.197) 3.829 5.717 ( -0.628 -0.380 -3.252) 3.333 5.733 ( -0.154 1.101 -1.812) 2.126 5.775 ( -0.317 1.444 -3.903) 4.174 5.827 ( -0.775 1.877 1.820) 2.727 5.862 ( 2.011 1.724 -1.322) 2.960 5.922 ( -1.994 0.542 2.292) 3.086 5.962 ( 2.629 1.890 -0.840) 3.345 6.046 ( -1.793 -1.970 1.802) 3.216 6.100 ( 2.102 -1.767 -2.583) 3.770 6.139 ( 0.371 -1.342 -0.519) 1.486 6.148 ( -1.067 -1.662 -1.579) 2.529 6.213 ( -0.660 -2.346 1.650) 2.943 6.249 ( -0.395 -1.454 -0.453) 1.573 6.313 ( 0.927 0.759 0.599) 1.340 6.321 ( -0.532 -0.525 -1.138) 1.362 6.380 ( 0.873 -0.343 2.727) 2.884 6.433 ( -0.691 -1.456 -2.064) 2.619 6.503 ( -1.455 -3.229 2.851) 4.547 6.524 ( 0.972 -1.273 1.250) 2.032 6.617 ( 0.912 1.572 0.728) 1.958 6.659 ( -2.131 -2.563 2.272) 4.033 6.670 ( -0.384 1.710 -0.122) 1.757 6.727 ( 2.753 -3.766 -0.930) 4.757 6.803 ( -0.587 0.385 2.411) 2.511 6.850 ( 0.613 0.803 -1.344) 1.682 6.891 ( -0.494 0.126 0.269) 0.576 6.922 ( -0.353 1.171 -0.543) 1.338 6.943 ( -0.598 0.748 -1.897) 2.125 6.949 ( -0.217 -0.395 -1.642) 1.702 6.970 ( 1.289 2.165 -0.075) 2.521 7.007 ( -0.758 2.831 -2.411) 3.795 7.114 ( 2.633 0.872 1.480) 3.144 7.126 ( -3.315 0.795 0.485) 3.443 7.242 ( -0.180 -0.520 2.315) 2.379 7.259 ( 0.311 -0.193 2.069) 2.101 7.275 ( 1.331 -2.288 0.159) 2.651 7.291 ( 0.425 0.040 -1.140) 1.217 7.324 ( -0.405 -0.656 0.176) 0.791 7.375 ( -0.646 -0.952 -1.837) 2.167 7.405 ( -0.266 0.212 -0.090) 0.352 7.451 ( 1.044 0.546 -2.794) 3.033 7.486 ( -1.316 -0.203 0.997) 1.664 7.523 ( 0.266 -1.154 -0.771) 1.413 7.552 ( -1.290 -1.544 4.523) 4.951 7.618 ( 0.821 -3.057 -1.769) 3.626 7.663 ( 0.449 3.405 0.934) 3.559 7.715 ( 0.594 1.052 -2.632) 2.896 7.761 ( -4.225 -1.076 1.863) 4.741 7.819 ( 1.166 -0.528 -0.215) 1.298 7.832 ( 1.749 0.800 -1.281) 2.311 7.878 ( 0.792 2.041 -2.977) 3.696 7.950 ( 0.235 -1.039 3.141) 3.317 7.994 ( -0.340 -1.257 -0.722) 1.489 8.041 ( 1.426 -2.959 2.279) 3.998 8.076 ( -1.172 -1.732 -0.571) 2.167 8.132 ( -0.072 -0.415 0.303) 0.518 8.142 ( 0.777 -0.746 -1.362) 1.736 8.206 ( -1.761 2.140 0.168) 2.777 8.226 ( 1.038 2.028 -0.854) 2.433 8.266 ( 0.014 3.003 -0.308) 3.019 8.285 ( 0.866 3.217 -1.107) 3.511 8.386 ( -1.149 -0.086 3.950) 4.114 8.445 ( -0.064 -0.030 -1.535) 1.537 8.541 ( 0.374 -1.611 0.780) 1.828 8.558 ( 0.207 -0.736 -0.600) 0.972 8.649 ( -0.371 -4.051 1.538) 4.349 8.702 ( -0.125 -2.017 -2.840) 3.486 8.781 ( 0.824 -1.884 1.568) 2.586 8.806 ( -0.648 -0.537 -0.601) 1.034 9.111 ( -0.400 1.168 0.680) 1.410 9.127 ( -0.415 2.126 -0.836) 2.322 9.203 ( -0.309 1.397 2.852) 3.190 9.262 ( 2.010 0.686 -2.456) 3.247 9.327 ( -0.667 0.622 0.718) 1.160 9.340 ( -0.288 0.586 -0.503) 0.825 11.492 ( 0.335 0.035 0.283) 0.440 11.497 ( -0.443 -0.054 -0.128) 0.464 11.630 ( 0.010 -0.655 0.209) 0.687 11.641 ( 0.152 -0.883 -0.758) 1.174 11.726 ( -0.289 1.428 0.574) 1.566 11.738 ( 0.233 1.591 -0.536) 1.695 11.795 ( 0.077 -0.528 0.606) 0.807 11.806 ( -0.044 -0.129 -0.306) 0.335 12.136 ( 0.085 0.142 0.115) 0.202 12.140 ( -0.045 -0.042 -0.157) 0.169 12.154 ( -0.107 0.253 0.644) 0.700 12.168 ( 0.046 -0.121 -0.617) 0.630 14.586 ( 1.301 1.504 0.437) 2.036 14.604 ( -2.114 1.795 -1.183) 3.015 14.677 ( 2.168 0.792 1.903) 2.991 14.717 ( -1.273 1.017 -1.864) 2.476 14.837 ( -0.219 -0.171 1.420) 1.447 14.861 ( 0.420 -0.011 -0.986) 1.072 14.897 ( 1.029 -1.376 1.862) 2.534 14.917 ( -0.890 -1.840 0.454) 2.094 15.136 ( -0.282 0.880 -0.599) 1.101 15.147 ( -0.062 1.151 -1.763) 2.106 15.217 ( 0.131 -1.013 1.098) 1.500 15.230 ( -0.243 -0.560 0.287) 0.675 15.450 ( 2.056 1.099 -0.284) 2.349 15.477 ( -2.098 0.427 -2.674) 3.425 15.577 ( 0.475 -1.453 0.359) 1.570 15.579 ( -0.600 -1.391 0.166) 1.523 15.995 ( -0.880 1.981 1.629) 2.711 16.035 ( 0.994 1.879 -1.899) 2.851 16.175 ( 0.553 -2.350 1.241) 2.714 16.198 ( -0.730 -3.707 -0.744) 3.850 16.419 ( -0.045 0.947 1.029) 1.399 16.449 ( 0.613 0.341 -1.449) 1.610 16.541 ( -0.439 -1.600 2.384) 2.904 16.566 ( -0.597 -2.602 -0.384) 2.697 16.585 ( -0.581 -0.765 0.153) 0.972 16.605 ( 0.750 -1.416 -0.788) 1.786 16.776 ( 0.550 2.548 0.329) 2.627 16.785 ( -0.555 3.996 -0.472) 4.062 16.897 ( 0.889 1.034 0.444) 1.434 16.920 ( -0.983 2.769 -1.518) 3.307 17.139 ( 0.209 -2.919 2.271) 3.704 17.182 ( 0.507 -3.069 -1.527) 3.465 18.004 ( -0.818 0.116 0.648) 1.050 18.017 ( 0.889 -0.617 -0.361) 1.141 18.120 ( 0.048 1.064 0.840) 1.356 18.142 ( 0.367 -0.037 -0.919) 0.990 ======================= Grid point 45 (23/30) ======================= q-point: (-0.33 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( -15.290 4.613 1.311) 16.025 0.774 ( -14.735 3.745 8.385) 17.362 1.035 ( 2.795 0.463 0.857) 2.960 1.078 ( -4.792 4.753 1.971) 7.031 1.165 ( 2.721 -1.135 -6.502) 7.139 1.309 ( 1.565 2.885 0.089) 3.284 1.328 ( 2.908 -0.696 -2.069) 3.636 1.396 ( 7.222 -5.055 -1.222) 8.900 1.441 ( 0.837 -2.063 1.258) 2.558 1.474 ( 5.761 -4.068 -5.887) 9.187 1.550 ( -6.608 8.730 6.126) 12.546 1.610 ( -0.936 -0.851 0.317) 1.304 1.657 ( -0.509 2.129 -0.663) 2.288 1.706 ( -1.586 -2.617 4.231) 5.222 1.782 ( 4.031 -2.505 2.680) 5.450 1.816 ( 1.074 -0.181 -0.118) 1.096 1.834 ( 5.365 0.195 -2.782) 6.047 1.895 ( 3.121 -2.549 0.179) 4.034 2.010 ( 0.888 -2.815 -2.100) 3.622 2.028 ( 5.065 -3.881 -1.011) 6.461 2.094 ( 0.311 -2.135 -2.103) 3.013 2.120 ( 0.876 -2.676 1.315) 3.108 2.143 ( 0.752 1.079 -0.869) 1.577 2.176 ( -1.487 -0.284 1.310) 2.002 2.221 ( 0.110 2.632 1.890) 3.242 2.291 ( 2.256 -1.590 -1.952) 3.381 2.313 ( -0.419 3.627 0.275) 3.662 2.348 ( 1.005 0.495 -1.116) 1.581 2.376 ( -0.000 0.336 -1.524) 1.560 2.402 ( -1.082 0.746 2.491) 2.816 2.445 ( -1.705 1.281 2.097) 2.990 2.485 ( -0.308 -0.716 2.130) 2.268 2.518 ( 0.632 1.016 -1.733) 2.106 2.524 ( 2.164 4.384 1.609) 5.147 2.584 ( 1.810 3.057 -0.420) 3.578 2.605 ( 2.025 2.102 -3.053) 4.224 2.623 ( -1.260 -0.588 -1.963) 2.406 2.681 ( -1.215 0.885 -1.339) 2.013 2.712 ( -2.660 0.156 -3.317) 4.255 2.726 ( -1.646 -0.132 0.155) 1.659 2.793 ( -1.752 0.433 -0.536) 1.882 2.833 ( 3.155 -0.283 -0.789) 3.265 2.877 ( -0.535 1.239 -1.891) 2.323 2.891 ( 3.183 2.559 1.906) 4.507 2.939 ( -5.182 0.050 5.036) 7.226 2.983 ( -3.101 -2.406 1.532) 4.213 3.006 ( -1.794 -1.267 -1.487) 2.652 3.081 ( -1.946 2.306 -0.052) 3.017 3.270 ( 2.612 0.918 0.106) 2.770 3.288 ( 2.905 1.452 0.325) 3.263 3.409 ( 0.630 -0.097 2.567) 2.645 3.447 ( -0.114 -0.185 -2.119) 2.130 3.640 ( -1.347 -0.341 -1.455) 2.012 3.693 ( 1.748 -1.295 1.423) 2.600 3.820 ( -1.181 0.840 -1.122) 1.832 3.829 ( -1.060 0.316 -0.516) 1.220 3.878 ( 1.688 -0.603 2.095) 2.757 3.905 ( 2.987 -1.155 1.033) 3.365 3.940 ( -1.801 -0.636 0.358) 1.943 3.955 ( -0.815 -2.968 0.187) 3.083 3.974 ( 1.388 -1.877 -1.050) 2.559 4.005 ( -0.405 -2.340 -1.434) 2.774 4.027 ( 2.635 -3.974 -0.716) 4.822 4.057 ( 1.647 -4.099 0.068) 4.418 4.092 ( -0.226 0.235 0.923) 0.979 4.178 ( -0.362 -2.550 5.266) 5.862 4.200 ( 1.785 1.314 -1.554) 2.707 4.221 ( 2.253 0.993 -1.012) 2.662 4.290 ( 2.232 2.416 -0.560) 3.337 4.327 ( 0.813 0.286 -0.515) 1.004 4.374 ( -1.203 1.383 0.028) 1.833 4.409 ( -0.606 -1.054 1.644) 2.045 4.424 ( 0.544 1.721 3.188) 3.664 4.444 ( 0.586 -0.345 -2.125) 2.231 4.505 ( 1.159 -0.309 -0.094) 1.203 4.544 ( -1.548 0.967 0.969) 2.067 4.564 ( -1.173 0.734 -1.399) 1.968 4.591 ( 2.713 1.091 0.480) 2.963 4.615 ( 1.023 2.716 0.764) 3.002 4.669 ( -2.587 0.563 1.925) 3.273 4.700 ( 1.285 -1.811 -4.192) 4.744 4.738 ( -1.757 0.941 -1.103) 2.278 4.784 ( -0.670 -0.107 -0.989) 1.200 4.841 ( -1.258 -1.766 4.326) 4.839 4.858 ( 1.219 0.142 -1.142) 1.676 4.887 ( -0.096 -3.322 -0.570) 3.372 4.910 ( 0.557 -2.364 0.429) 2.467 4.944 ( 2.599 -1.076 -0.701) 2.899 4.984 ( 1.207 3.222 0.564) 3.487 5.016 ( 1.924 2.199 -2.377) 3.767 5.050 ( -1.046 2.526 3.508) 4.448 5.097 ( -0.922 3.269 -2.036) 3.960 5.113 ( -1.369 -0.362 -0.324) 1.453 5.133 ( 1.444 1.022 0.620) 1.875 5.159 ( -1.196 2.978 2.090) 3.830 5.203 ( -0.750 1.951 2.215) 3.046 5.227 ( -0.167 -2.138 -0.502) 2.203 5.267 ( -2.876 -0.680 -1.231) 3.202 5.319 ( 2.208 0.107 -0.502) 2.267 5.347 ( 1.054 1.493 -2.064) 2.757 5.378 ( -0.322 -2.127 0.845) 2.311 5.411 ( 1.100 0.186 0.158) 1.126 5.492 ( -0.821 1.533 -0.273) 1.760 5.535 ( 1.796 -1.026 0.348) 2.097 5.648 ( -0.836 -1.159 -0.288) 1.458 5.675 ( -2.615 -0.001 1.261) 2.903 5.704 ( -0.530 2.731 -2.279) 3.596 5.778 ( 1.443 1.506 0.041) 2.086 5.813 ( -1.166 2.390 0.209) 2.668 5.863 ( -0.861 1.735 -2.074) 2.838 5.898 ( -2.014 2.593 0.800) 3.379 5.993 ( -1.355 0.084 1.233) 1.834 6.008 ( -0.602 -2.992 -1.063) 3.232 6.089 ( -1.781 -2.917 0.779) 3.505 6.125 ( -0.468 -1.963 -1.674) 2.622 6.150 ( 1.222 -0.090 -0.246) 1.250 6.215 ( -0.437 0.210 1.788) 1.852 6.266 ( 1.995 -2.182 -0.674) 3.032 6.288 ( -1.833 1.140 -0.999) 2.378 6.315 ( 0.042 -0.199 -1.363) 1.378 6.403 ( -0.621 -0.700 -0.097) 0.941 6.430 ( 0.218 0.208 0.967) 1.012 6.499 ( 0.781 -3.763 0.795) 3.924 6.550 ( -0.402 -2.288 2.642) 3.518 6.626 ( -1.055 -1.271 0.388) 1.697 6.640 ( 0.863 1.513 0.818) 1.924 6.669 ( 0.122 -0.141 0.362) 0.407 6.752 ( 0.693 -3.799 -1.530) 4.154 6.783 ( -1.327 -0.245 -0.206) 1.365 6.883 ( 1.120 -1.054 -0.328) 1.572 6.890 ( 0.762 2.910 0.876) 3.133 6.896 ( -0.279 0.671 -0.618) 0.954 6.926 ( -0.244 1.989 0.108) 2.007 6.962 ( 1.605 0.259 -0.322) 1.658 6.988 ( 0.634 1.521 -1.497) 2.226 7.014 ( 2.004 1.661 0.244) 2.614 7.086 ( -0.975 -0.113 -0.152) 0.994 7.174 ( 2.268 0.170 2.196) 3.161 7.223 ( -2.624 -1.295 -0.618) 2.991 7.248 ( -1.077 -2.007 -0.115) 2.281 7.291 ( 0.584 -1.135 -0.682) 1.447 7.296 ( 0.296 -1.344 -0.670) 1.530 7.329 ( -1.918 -1.312 0.152) 2.329 7.349 ( 0.161 0.942 0.978) 1.368 7.379 ( -2.508 -0.577 0.547) 2.631 7.442 ( 0.573 2.128 -2.792) 3.557 7.497 ( 1.020 1.198 1.882) 2.453 7.518 ( -1.013 -0.727 -0.123) 1.253 7.557 ( -1.571 -2.056 3.727) 4.537 7.612 ( 0.994 -1.771 -2.910) 3.549 7.678 ( 0.684 2.997 1.739) 3.532 7.709 ( 1.229 1.237 -3.152) 3.602 7.734 ( -1.392 -1.097 4.072) 4.441 7.834 ( 0.731 1.112 -1.141) 1.753 7.849 ( -0.274 -0.151 0.287) 0.424 7.899 ( 4.425 0.400 -3.533) 5.676 7.976 ( 0.886 -1.386 -0.009) 1.645 7.994 ( 1.399 -1.251 0.826) 2.051 8.044 ( -1.269 -1.186 -1.349) 2.199 8.082 ( 0.443 -2.790 2.302) 3.645 8.118 ( -0.720 -1.154 -0.935) 1.650 8.147 ( 0.521 0.171 -0.953) 1.100 8.178 ( -1.883 2.321 0.565) 3.042 8.222 ( 0.223 2.307 -0.901) 2.487 8.280 ( 1.080 3.592 -0.175) 3.755 8.312 ( 2.680 2.404 -0.372) 3.619 8.387 ( -1.617 -0.985 3.289) 3.795 8.441 ( 0.475 1.034 -0.529) 1.255 8.525 ( -0.757 -1.386 -0.671) 1.716 8.569 ( -0.001 -0.617 -0.274) 0.675 8.668 ( 0.986 -3.480 1.998) 4.132 8.704 ( 2.223 -2.311 -1.823) 3.689 8.790 ( -0.401 -0.452 -1.026) 1.190 8.807 ( 0.851 -3.186 1.548) 3.643 9.080 ( -2.753 1.665 0.521) 3.259 9.132 ( 0.216 1.052 0.822) 1.353 9.200 ( -1.550 2.105 0.162) 2.619 9.270 ( 1.252 0.434 -2.746) 3.049 9.309 ( -2.280 0.417 1.161) 2.593 9.321 ( -1.475 0.459 0.317) 1.576 11.499 ( 0.859 0.139 -0.210) 0.895 11.512 ( 1.534 -0.201 0.479) 1.620 11.623 ( -0.932 -0.578 0.218) 1.118 11.634 ( -0.460 -0.795 -0.711) 1.162 11.720 ( -0.719 1.424 0.480) 1.666 11.734 ( -0.196 1.375 -0.376) 1.438 11.792 ( -0.872 -0.408 0.438) 1.058 11.792 ( -1.191 -0.183 -0.407) 1.272 12.135 ( -0.278 0.077 -0.151) 0.326 12.137 ( -0.091 0.093 0.061) 0.143 12.154 ( -0.350 0.118 0.697) 0.789 12.163 ( -0.119 -0.008 -0.577) 0.589 14.551 ( -2.645 1.723 -0.350) 3.177 14.608 ( -0.206 2.678 0.973) 2.857 14.660 ( -1.812 -1.256 -1.365) 2.593 14.744 ( 2.662 1.444 0.436) 3.059 14.841 ( -0.031 -0.435 0.573) 0.720 14.863 ( 0.453 0.680 -0.544) 0.982 14.886 ( -1.933 -2.270 -0.779) 3.082 14.926 ( 0.354 -1.193 1.377) 1.856 15.126 ( -0.457 0.723 0.111) 0.862 15.144 ( 0.446 1.455 -0.519) 1.608 15.204 ( -1.032 -0.989 0.334) 1.468 15.253 ( 1.414 -1.207 0.617) 1.959 15.421 ( -2.249 1.489 -2.465) 3.654 15.494 ( 2.527 0.493 1.043) 2.778 15.574 ( -0.119 -1.803 0.076) 1.808 15.590 ( 0.748 -1.169 0.291) 1.418 15.990 ( -0.840 1.921 1.571) 2.620 16.040 ( 1.129 2.199 -1.811) 3.064 16.172 ( -1.348 -3.471 -0.871) 3.824 16.189 ( -0.302 -2.167 0.952) 2.386 16.418 ( -0.713 0.504 0.490) 1.001 16.447 ( 0.420 0.478 -1.589) 1.711 16.546 ( -0.688 -1.855 1.182) 2.304 16.559 ( 0.017 -1.589 2.006) 2.559 16.585 ( 0.322 -2.020 0.156) 2.052 16.623 ( 1.497 -0.647 -0.764) 1.801 16.741 ( -1.663 2.334 -0.338) 2.886 16.814 ( 0.596 1.486 -0.062) 1.603 16.897 ( 0.792 3.733 -0.888) 3.918 16.934 ( 1.950 2.173 0.727) 3.009 17.158 ( 0.408 -1.854 1.364) 2.338 17.183 ( 0.827 -4.020 -2.458) 4.783 17.994 ( -0.557 0.546 0.488) 0.920 18.036 ( 1.479 -0.504 -0.518) 1.646 18.117 ( -0.846 0.416 0.307) 0.991 18.138 ( -0.149 0.464 -1.228) 1.321 ======================= Grid point 46 (24/30) ======================= q-point: (-0.17 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.468 ( -4.992 12.463 10.755) 17.202 0.615 ( -10.402 10.290 12.186) 19.041 0.968 ( -3.408 5.429 -8.499) 10.645 1.012 ( -4.973 7.725 6.462) 11.232 1.165 ( -7.454 8.172 -1.355) 11.143 1.310 ( 5.795 -5.799 -0.864) 8.243 1.378 ( -4.065 -2.447 3.294) 5.776 1.401 ( 1.226 -2.465 -2.401) 3.653 1.433 ( 1.576 -3.798 -4.493) 6.091 1.508 ( 0.083 -1.288 0.464) 1.372 1.606 ( 1.834 -0.369 -0.774) 2.024 1.624 ( 8.419 -4.902 0.652) 9.764 1.670 ( -0.043 0.444 0.192) 0.486 1.702 ( -1.038 -1.285 1.956) 2.560 1.808 ( 1.797 2.113 -3.823) 4.724 1.881 ( 3.291 -0.001 -1.716) 3.712 1.914 ( 3.547 -0.266 -2.662) 4.443 1.979 ( 1.902 2.657 4.958) 5.939 1.983 ( 0.878 -1.527 -0.360) 1.798 2.093 ( 1.884 -1.261 -2.303) 3.232 2.104 ( 1.860 -2.360 -2.864) 4.151 2.154 ( 2.537 0.115 3.201) 4.086 2.162 ( 2.331 -2.263 1.262) 3.485 2.202 ( 1.808 0.506 -0.751) 2.022 2.242 ( 0.819 0.727 2.857) 3.060 2.297 ( 0.227 0.986 -1.872) 2.129 2.316 ( 1.667 -1.852 -1.516) 2.917 2.349 ( -1.608 0.043 0.493) 1.683 2.371 ( 1.863 -0.757 -1.387) 2.442 2.395 ( -0.544 -0.801 0.733) 1.215 2.446 ( -1.579 0.304 0.023) 1.608 2.481 ( 1.426 0.335 0.897) 1.718 2.520 ( -3.667 -0.919 1.274) 3.989 2.539 ( -0.887 0.789 -2.043) 2.363 2.558 ( 1.450 2.974 -0.350) 3.327 2.586 ( -1.396 -0.764 -2.760) 3.186 2.621 ( 0.375 2.722 -1.790) 3.280 2.661 ( 1.060 -2.416 0.082) 2.640 2.707 ( -1.987 0.997 2.584) 3.409 2.718 ( 3.030 -0.813 -1.991) 3.716 2.744 ( -2.071 0.418 -1.646) 2.678 2.819 ( -2.126 0.542 1.145) 2.475 2.869 ( -2.413 0.116 3.019) 3.867 2.917 ( -1.360 2.818 -1.659) 3.542 2.929 ( 1.628 1.470 2.113) 3.046 2.958 ( -1.854 0.621 -1.312) 2.354 2.967 ( 0.858 -1.447 0.190) 1.693 3.051 ( -2.322 3.501 0.582) 4.241 3.300 ( -0.489 0.862 1.628) 1.906 3.333 ( 2.227 2.913 0.433) 3.693 3.409 ( -0.915 -1.378 -0.656) 1.780 3.447 ( 0.335 0.802 0.853) 1.218 3.652 ( 2.871 0.382 1.295) 3.173 3.742 ( 2.299 -0.998 2.520) 3.554 3.797 ( -0.776 1.469 -0.377) 1.703 3.818 ( -0.459 1.315 0.152) 1.401 3.867 ( -2.388 -0.648 -1.131) 2.720 3.932 ( -0.141 -2.507 -0.299) 2.529 3.948 ( 0.151 -0.177 -0.409) 0.470 3.970 ( 0.682 -3.301 -1.081) 3.540 3.980 ( 2.282 -1.811 1.484) 3.269 4.020 ( 0.727 -2.533 1.820) 3.203 4.052 ( 1.940 -0.665 -0.653) 2.153 4.094 ( 1.527 -1.666 -0.638) 2.348 4.130 ( 4.285 -0.002 -1.132) 4.432 4.174 ( -0.963 -0.811 2.656) 2.939 4.212 ( 0.642 -1.624 2.920) 3.403 4.274 ( 1.060 -0.468 -0.374) 1.217 4.298 ( 0.181 -2.611 -0.186) 2.624 4.337 ( 0.252 -0.569 -1.564) 1.683 4.359 ( -1.351 0.100 0.991) 1.679 4.411 ( -1.277 0.316 0.403) 1.376 4.442 ( 2.226 -2.048 2.012) 3.633 4.460 ( -0.292 0.102 1.442) 1.475 4.502 ( -0.829 -2.087 -1.690) 2.810 4.556 ( 2.758 -1.230 -0.935) 3.161 4.572 ( 1.540 1.552 2.645) 3.432 4.617 ( 0.020 -0.668 -0.235) 0.709 4.626 ( -0.361 -0.478 -0.021) 0.600 4.642 ( 0.671 1.746 -0.526) 1.943 4.677 ( -0.347 0.240 -0.907) 1.000 4.720 ( 0.346 0.572 -1.113) 1.298 4.801 ( 1.576 -0.660 0.051) 1.710 4.820 ( -2.271 -2.030 1.618) 3.449 4.863 ( -0.391 -1.345 -0.197) 1.415 4.888 ( 0.642 -0.448 -1.122) 1.368 4.928 ( 0.526 -2.846 -0.205) 2.902 4.944 ( -0.130 0.482 -1.267) 1.362 4.994 ( -0.530 2.059 1.192) 2.437 5.038 ( -0.524 0.780 0.857) 1.271 5.062 ( -0.575 2.565 -1.872) 3.227 5.082 ( 0.984 4.475 0.406) 4.600 5.098 ( 0.320 0.098 -1.100) 1.149 5.153 ( 0.508 0.106 -3.572) 3.610 5.166 ( 0.540 3.990 0.854) 4.116 5.208 ( 0.357 -0.544 -0.215) 0.685 5.218 ( 0.306 3.122 0.936) 3.274 5.220 ( -0.781 -0.059 -1.105) 1.355 5.305 ( -1.718 2.027 0.504) 2.704 5.352 ( 0.856 3.672 -1.892) 4.219 5.394 ( 0.387 -1.042 1.587) 1.937 5.411 ( -0.768 0.455 -0.249) 0.927 5.491 ( 0.191 0.589 1.160) 1.315 5.578 ( 0.720 -1.709 -0.073) 1.856 5.616 ( -0.865 -0.943 0.553) 1.393 5.647 ( 0.107 -0.186 -0.896) 0.921 5.706 ( 0.308 -0.029 1.456) 1.488 5.783 ( -2.165 1.102 -1.498) 2.855 5.817 ( 1.310 5.349 0.310) 5.516 5.830 ( 0.036 0.989 0.600) 1.157 5.858 ( -2.608 3.386 0.008) 4.274 5.956 ( -2.579 -0.132 3.004) 3.962 5.998 ( -1.174 -3.215 -0.697) 3.493 6.087 ( 0.242 -3.407 1.259) 3.641 6.105 ( -0.315 -1.836 -1.944) 2.692 6.160 ( -0.053 -0.884 -0.396) 0.970 6.215 ( -0.460 1.977 0.201) 2.040 6.239 ( -2.020 1.887 -2.221) 3.546 6.291 ( 2.361 1.056 -2.686) 3.729 6.323 ( 0.667 -1.473 0.113) 1.621 6.388 ( 0.093 -0.356 -0.956) 1.024 6.419 ( -1.628 -1.661 1.093) 2.570 6.533 ( -1.518 -3.951 2.977) 5.174 6.540 ( 1.122 -2.091 0.307) 2.392 6.614 ( -2.110 -0.391 2.432) 3.244 6.668 ( 0.017 -0.631 0.685) 0.931 6.692 ( 3.788 0.603 -1.758) 4.219 6.746 ( 0.236 -3.365 0.849) 3.479 6.766 ( 0.749 -1.347 -3.623) 3.937 6.865 ( -1.219 -0.044 -1.005) 1.580 6.898 ( 0.589 1.423 1.166) 1.931 6.929 ( -0.285 1.207 0.783) 1.466 6.946 ( 2.913 1.280 0.405) 3.208 6.982 ( -1.084 1.697 -0.112) 2.017 6.987 ( 0.863 -0.510 0.172) 1.017 7.021 ( -0.258 -0.634 -1.647) 1.784 7.099 ( 2.413 -1.928 -0.252) 3.099 7.165 ( -2.469 -1.191 -1.007) 2.921 7.215 ( 0.258 -0.748 0.975) 1.255 7.230 ( -1.202 -3.319 -0.288) 3.541 7.267 ( -0.914 -1.725 -1.652) 2.557 7.293 ( -1.114 -0.120 0.677) 1.309 7.307 ( -0.744 -1.956 1.736) 2.719 7.336 ( -0.938 0.096 0.952) 1.340 7.364 ( -0.163 1.025 -0.292) 1.079 7.454 ( 1.094 1.677 0.178) 2.011 7.474 ( -2.460 1.392 -1.364) 3.138 7.520 ( -0.652 0.770 0.988) 1.412 7.572 ( 1.818 0.866 3.893) 4.384 7.632 ( 2.914 -1.330 -1.538) 3.553 7.705 ( 0.518 0.854 1.043) 1.444 7.720 ( 1.660 3.477 -2.800) 4.763 7.748 ( -0.122 -0.292 4.165) 4.177 7.821 ( -0.029 -0.228 -3.088) 3.096 7.847 ( -0.685 0.132 0.650) 0.953 7.929 ( 0.750 0.040 -4.255) 4.321 7.970 ( 0.521 -0.509 -3.175) 3.257 8.014 ( -0.524 -1.485 -0.108) 1.579 8.055 ( 3.056 -1.234 0.174) 3.300 8.067 ( -2.443 0.945 1.569) 3.054 8.111 ( -0.561 -1.662 0.532) 1.833 8.151 ( -0.300 0.720 -1.518) 1.707 8.163 ( 1.578 1.395 1.197) 2.423 8.247 ( 2.000 1.863 1.825) 3.287 8.287 ( 0.159 3.416 -1.376) 3.686 8.338 ( -0.131 -0.894 -0.222) 0.931 8.384 ( -1.128 -0.416 2.996) 3.228 8.455 ( 1.146 2.026 0.916) 2.501 8.521 ( 0.653 -1.450 -1.924) 2.496 8.553 ( -0.512 0.349 -0.905) 1.097 8.692 ( 0.101 -3.727 0.357) 3.745 8.744 ( 2.845 -2.569 -0.973) 3.955 8.791 ( 1.486 1.059 0.619) 1.927 8.832 ( 0.058 -4.646 1.505) 4.884 9.038 ( -2.437 1.737 1.675) 3.429 9.125 ( -2.347 -0.304 1.414) 2.757 9.163 ( -0.464 2.947 -2.543) 3.920 9.262 ( -3.801 -0.090 0.688) 3.864 9.276 ( 1.394 -0.095 -1.667) 2.175 9.302 ( -1.508 0.095 1.334) 2.016 11.521 ( 1.797 0.241 -0.146) 1.819 11.545 ( 1.507 -0.474 0.597) 1.688 11.606 ( -1.223 -0.359 0.371) 1.327 11.616 ( -0.904 -0.371 -0.806) 1.267 11.711 ( -0.510 1.141 0.342) 1.296 11.731 ( 0.132 0.839 -0.172) 0.866 11.764 ( -1.627 -0.048 -0.336) 1.662 11.775 ( -1.148 -0.242 0.072) 1.175 12.130 ( -0.167 0.114 -0.046) 0.207 12.135 ( -0.158 0.028 -0.008) 0.160 12.151 ( -0.425 0.136 0.514) 0.681 12.158 ( -0.062 0.086 -0.438) 0.451 14.514 ( -1.285 1.889 -0.035) 2.285 14.581 ( -2.118 2.213 -1.742) 3.524 14.647 ( -0.056 -1.180 2.010) 2.331 14.783 ( 1.867 1.333 -0.242) 2.307 14.833 ( -1.430 -0.690 -2.633) 3.074 14.845 ( -1.482 -2.227 -0.230) 2.685 14.871 ( 0.538 0.613 -0.117) 0.825 14.917 ( -1.680 -0.711 -1.392) 2.294 15.127 ( 0.065 0.522 1.289) 1.392 15.151 ( 0.443 1.516 0.371) 1.623 15.201 ( 0.202 -0.455 1.076) 1.186 15.265 ( -0.473 -1.343 -1.224) 1.878 15.404 ( 1.581 0.966 4.524) 4.888 15.542 ( 1.930 0.001 1.291) 2.322 15.574 ( -0.026 -2.586 0.108) 2.588 15.602 ( 0.332 -1.283 0.270) 1.352 15.988 ( -0.653 1.973 1.688) 2.677 16.051 ( 1.714 2.676 -2.391) 3.977 16.136 ( -1.804 -2.138 -0.514) 2.844 16.180 ( -1.510 -1.684 0.721) 2.374 16.407 ( -0.628 -0.027 0.234) 0.671 16.442 ( 0.354 0.178 -1.810) 1.853 16.549 ( 0.040 -0.895 1.397) 1.660 16.579 ( 0.013 -4.004 2.261) 4.598 16.599 ( 0.958 -1.470 1.123) 2.083 16.636 ( 0.436 -0.563 -0.469) 0.852 16.729 ( 0.685 0.518 -0.528) 1.008 16.795 ( -2.136 -0.429 0.022) 2.178 16.930 ( 2.818 4.315 -0.839) 5.222 16.985 ( 3.840 4.915 0.697) 6.276 17.151 ( -1.771 -2.761 -3.612) 4.880 17.170 ( -0.789 -1.544 -0.050) 1.734 17.995 ( 0.587 1.483 0.004) 1.595 18.053 ( 0.812 0.542 -1.734) 1.991 18.099 ( -1.013 0.378 -0.383) 1.147 18.113 ( -1.745 0.664 -0.896) 2.071 ======================= Grid point 47 (25/30) ======================= q-point: ( 0.00 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( 0.866 13.537 7.886) 15.691 0.929 ( 1.948 16.156 3.696) 16.688 0.973 ( -2.232 3.072 -5.712) 6.860 1.109 ( 0.261 -0.628 -4.421) 4.473 1.118 ( 0.448 -0.152 0.327) 0.575 1.230 ( -1.206 -5.222 -5.582) 7.738 1.273 ( 1.993 -7.705 0.594) 7.981 1.330 ( -1.493 -2.702 -4.114) 5.143 1.416 ( 4.787 4.945 2.153) 7.211 1.497 ( -5.125 -2.388 -4.218) 7.054 1.511 ( 1.813 -3.593 3.386) 5.259 1.567 ( -2.393 -5.436 -2.552) 6.464 1.712 ( -1.308 4.375 4.345) 6.304 1.808 ( 0.813 -1.588 -0.035) 1.784 1.835 ( -0.064 3.522 8.557) 9.254 1.903 ( -0.176 2.944 2.882) 4.124 1.939 ( -0.996 -1.428 0.440) 1.796 1.993 ( -0.171 -0.091 -2.885) 2.891 2.039 ( -0.267 -0.128 -1.160) 1.197 2.078 ( 1.329 2.159 -3.550) 4.363 2.099 ( -2.213 -4.798 2.681) 5.926 2.156 ( 1.897 0.298 1.494) 2.433 2.192 ( -1.770 -0.037 2.176) 2.805 2.238 ( -0.982 -1.630 0.784) 2.058 2.287 ( -1.240 1.977 -0.111) 2.336 2.301 ( 4.263 1.704 -3.104) 5.542 2.323 ( -1.073 -0.607 0.041) 1.234 2.328 ( 2.083 -0.387 0.568) 2.193 2.346 ( 1.006 2.435 1.363) 2.966 2.398 ( -0.235 -0.851 -2.296) 2.460 2.417 ( -0.619 -1.008 -3.032) 3.254 2.421 ( 4.257 -0.376 -3.007) 5.226 2.475 ( -1.220 -2.265 -0.556) 2.632 2.506 ( -0.134 -4.159 -2.779) 5.004 2.538 ( -2.030 0.128 0.938) 2.240 2.560 ( -1.403 -2.165 -0.307) 2.598 2.648 ( 2.080 2.134 5.285) 6.067 2.669 ( 2.528 -0.340 1.611) 3.017 2.695 ( -2.832 1.089 -0.193) 3.040 2.727 ( 0.392 -2.121 0.982) 2.370 2.780 ( 0.470 3.274 -0.838) 3.412 2.819 ( 0.356 -0.797 0.252) 0.909 2.858 ( -2.382 2.445 -4.255) 5.455 2.892 ( -1.355 -0.535 -3.245) 3.557 2.939 ( 0.783 0.874 3.482) 3.675 2.971 ( 1.221 -1.888 1.412) 2.655 3.039 ( -0.470 2.747 -0.234) 2.796 3.057 ( 0.113 0.891 -1.312) 1.590 3.339 ( -0.207 2.303 2.652) 3.518 3.367 ( -1.011 0.008 0.599) 1.175 3.434 ( 1.120 1.296 0.409) 1.761 3.456 ( 0.199 -0.413 -1.178) 1.265 3.727 ( 1.705 0.232 3.204) 3.637 3.751 ( 0.568 -2.135 3.207) 3.894 3.807 ( -1.131 0.995 -1.941) 2.457 3.819 ( -0.001 0.376 -0.926) 0.999 3.871 ( 1.838 1.552 -1.465) 2.817 3.892 ( 0.154 -0.929 -1.969) 2.183 3.909 ( -0.253 -0.410 0.682) 0.835 3.929 ( 0.220 -1.228 -0.647) 1.405 4.010 ( -0.558 0.817 1.213) 1.566 4.019 ( -1.473 0.620 2.617) 3.067 4.063 ( -1.163 -1.959 2.644) 3.491 4.089 ( 0.402 -3.469 3.983) 5.297 4.118 ( -2.623 -0.881 1.073) 2.968 4.130 ( -1.100 -1.411 1.132) 2.117 4.202 ( -0.166 0.661 -1.214) 1.392 4.238 ( -0.163 -2.938 -1.165) 3.165 4.261 ( 0.912 0.081 -3.239) 3.366 4.283 ( 1.086 -1.881 -4.551) 5.042 4.364 ( 1.788 -0.171 0.811) 1.971 4.378 ( 0.390 -1.373 -0.429) 1.491 4.426 ( -1.019 1.358 1.767) 2.451 4.443 ( -0.187 -0.536 1.159) 1.290 4.485 ( -0.330 -0.677 0.718) 1.040 4.508 ( -1.027 -3.323 -0.977) 3.613 4.563 ( -0.096 0.642 -1.103) 1.280 4.580 ( 0.613 -0.855 -2.488) 2.701 4.685 ( 0.165 1.452 0.589) 1.575 4.691 ( 0.690 1.237 -0.009) 1.416 4.704 ( -1.250 0.485 -0.164) 1.350 4.734 ( -0.755 -1.648 2.407) 3.013 4.750 ( 1.791 1.764 -0.083) 2.516 4.807 ( 1.459 -3.105 -2.292) 4.126 4.858 ( 0.434 1.006 0.393) 1.164 4.885 ( 0.556 -1.820 0.844) 2.082 4.900 ( -0.584 0.962 -2.134) 2.413 4.924 ( -1.057 -1.405 -2.016) 2.675 5.019 ( 0.006 1.712 0.327) 1.743 5.034 ( -1.287 0.166 -0.613) 1.435 5.086 ( -0.751 1.038 -0.425) 1.350 5.097 ( 0.115 -0.080 -0.119) 0.184 5.119 ( 1.458 -0.126 -2.521) 2.915 5.127 ( -0.212 -0.445 -1.752) 1.821 5.210 ( -1.957 3.189 2.014) 4.249 5.240 ( -0.729 1.097 0.857) 1.571 5.255 ( 0.593 1.692 0.248) 1.810 5.277 ( 0.669 0.130 -0.957) 1.175 5.380 ( 1.249 2.401 2.643) 3.782 5.397 ( -0.103 0.281 0.813) 0.866 5.442 ( -1.043 3.908 0.927) 4.150 5.455 ( 0.485 3.899 -0.009) 3.929 5.522 ( 1.536 2.066 0.478) 2.618 5.555 ( -3.300 2.243 -2.423) 4.668 5.609 ( 0.519 -2.246 2.333) 3.280 5.646 ( 2.968 -3.387 1.652) 4.797 5.700 ( -2.169 1.878 0.989) 3.035 5.775 ( 2.219 2.126 -0.243) 3.083 5.805 ( -1.579 -5.485 0.287) 5.715 5.852 ( 2.536 -3.418 -0.303) 4.267 5.914 ( 0.342 2.293 -0.538) 2.380 5.923 ( -0.840 0.670 -0.992) 1.462 5.987 ( -0.761 2.329 3.741) 4.472 6.035 ( -0.254 -2.640 1.782) 3.195 6.088 ( 0.967 0.942 -2.352) 2.712 6.115 ( 0.592 -1.732 -2.557) 3.145 6.259 ( -1.472 2.973 -0.099) 3.319 6.269 ( 0.384 1.958 -1.006) 2.235 6.301 ( -1.527 1.563 1.122) 2.456 6.343 ( 0.586 -1.657 -2.124) 2.757 6.357 ( -0.361 -0.600 0.987) 1.210 6.393 ( -0.188 -2.134 -0.011) 2.142 6.439 ( 0.580 -0.635 -0.339) 0.924 6.493 ( 2.192 -4.223 -2.609) 5.426 6.618 ( -2.179 2.246 3.062) 4.378 6.661 ( -1.694 -1.446 0.054) 2.228 6.695 ( 0.002 1.735 1.239) 2.132 6.738 ( -0.935 0.198 -1.061) 1.428 6.764 ( 0.877 -3.529 -0.795) 3.722 6.774 ( 0.900 -2.728 -0.543) 2.924 6.939 ( 0.608 1.097 -0.065) 1.255 6.943 ( -1.038 0.876 -0.269) 1.385 6.962 ( 0.995 0.269 -1.181) 1.568 6.979 ( -0.043 -1.356 -2.205) 2.589 6.994 ( -0.803 0.673 0.917) 1.393 7.004 ( 0.610 -0.035 -0.232) 0.654 7.101 ( 1.218 -1.054 0.792) 1.794 7.114 ( -1.372 -2.316 0.751) 2.795 7.143 ( -0.213 1.285 -0.192) 1.317 7.174 ( -0.114 -1.310 -1.835) 2.258 7.266 ( 0.928 -0.188 4.511) 4.609 7.288 ( 1.061 -1.748 2.995) 3.627 7.323 ( 0.431 0.477 0.537) 0.838 7.328 ( 0.352 -0.245 1.262) 1.333 7.365 ( -0.722 1.094 -4.259) 4.456 7.399 ( -0.866 -1.915 -4.664) 5.116 7.510 ( 0.898 0.586 0.477) 1.173 7.514 ( 0.140 0.207 0.126) 0.280 7.652 ( -0.509 1.090 1.616) 2.014 7.662 ( -1.571 -0.291 1.307) 2.064 7.722 ( -0.698 1.397 0.228) 1.579 7.742 ( 0.850 -0.277 -2.931) 3.064 7.772 ( -1.050 0.885 3.549) 3.806 7.795 ( 0.723 -1.297 3.936) 4.207 7.879 ( 1.898 2.606 -5.346) 6.242 7.907 ( -0.284 0.499 -5.292) 5.323 7.970 ( -0.890 -0.074 0.046) 0.895 7.979 ( 1.989 -1.271 -1.046) 2.582 8.062 ( -1.120 0.422 1.997) 2.328 8.080 ( 0.081 -1.596 0.620) 1.714 8.129 ( 0.995 2.025 -0.985) 2.462 8.147 ( 0.819 0.361 -2.164) 2.341 8.235 ( 0.241 1.208 2.229) 2.546 8.251 ( -1.149 -0.455 0.848) 1.499 8.306 ( -3.081 -0.521 5.264) 6.121 8.318 ( -2.029 -0.679 2.675) 3.426 8.387 ( 2.455 1.790 -2.090) 3.688 8.429 ( 0.727 -2.599 -3.937) 4.773 8.540 ( -0.645 2.311 1.259) 2.710 8.566 ( 0.933 -0.156 -1.018) 1.390 8.687 ( -0.358 -0.285 0.226) 0.510 8.702 ( 0.333 -1.568 -0.996) 1.887 8.814 ( -0.525 0.499 1.137) 1.348 8.823 ( 0.635 -0.312 0.293) 0.766 9.071 ( 0.460 1.925 2.673) 3.326 9.101 ( 0.305 -1.120 1.107) 1.604 9.178 ( -0.277 0.727 -1.070) 1.323 9.193 ( -1.595 -0.674 -1.427) 2.243 9.286 ( -0.111 0.262 0.115) 0.307 9.290 ( 1.027 -0.219 -0.189) 1.067 11.547 ( -0.503 0.151 0.438) 0.684 11.553 ( 0.263 -0.368 0.035) 0.454 11.590 ( -0.273 0.417 0.200) 0.537 11.600 ( 0.691 -0.604 -0.579) 1.085 11.730 ( 0.058 1.025 0.497) 1.141 11.741 ( -0.390 0.488 -0.410) 0.747 11.748 ( 0.445 -0.291 0.183) 0.563 11.755 ( -0.233 -0.387 -0.316) 0.551 12.132 ( 0.074 0.083 0.076) 0.135 12.133 ( -0.005 -0.022 -0.017) 0.029 12.152 ( -0.154 0.272 0.133) 0.340 12.156 ( 0.088 -0.132 -0.197) 0.253 14.544 ( 0.428 1.588 0.136) 1.650 14.559 ( -0.380 0.265 -1.222) 1.307 14.687 ( 0.383 1.432 2.685) 3.068 14.728 ( -0.962 -2.705 -0.490) 2.912 14.821 ( -0.127 0.807 -1.339) 1.569 14.828 ( 0.581 -0.011 -1.385) 1.502 14.883 ( -0.214 0.355 -0.293) 0.507 14.888 ( -0.513 -0.062 -0.740) 0.903 15.164 ( 0.574 1.404 2.076) 2.571 15.181 ( 0.297 0.232 0.717) 0.810 15.215 ( 0.151 0.437 0.924) 1.033 15.233 ( -0.361 -0.891 -0.667) 1.170 15.466 ( 1.225 0.121 2.150) 2.477 15.498 ( -0.879 -2.852 -0.777) 3.084 15.567 ( 0.360 -0.093 0.695) 0.788 15.577 ( -0.213 -1.087 -0.225) 1.130 16.037 ( -0.392 2.694 1.868) 3.301 16.074 ( -0.359 -0.256 -0.612) 0.754 16.113 ( 0.631 -0.230 -0.268) 0.723 16.136 ( 0.262 -1.551 -1.387) 2.097 16.408 ( 0.192 0.722 -0.335) 0.818 16.426 ( 0.384 -0.867 -1.773) 2.011 16.519 ( -0.690 -1.110 1.909) 2.314 16.529 ( -0.187 -2.278 0.811) 2.425 16.615 ( -0.558 1.241 1.631) 2.124 16.633 ( -0.446 -0.261 0.098) 0.526 16.739 ( 0.219 0.337 -0.430) 0.588 16.756 ( 0.980 -1.153 -1.662) 2.248 17.031 ( 0.113 3.212 2.208) 3.899 17.074 ( -1.571 -1.012 0.937) 2.090 17.107 ( 1.412 1.586 -1.992) 2.912 17.136 ( 0.095 -1.266 -2.049) 2.410 18.042 ( -0.123 1.304 -0.231) 1.330 18.053 ( -0.625 0.215 -1.393) 1.542 18.092 ( 0.305 -0.006 0.054) 0.310 18.093 ( 0.358 -0.063 0.008) 0.363 ======================= Grid point 48 (26/30) ======================= q-point: ( 0.17 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( 1.513 11.914 8.977) 14.994 0.909 ( 1.992 9.547 -6.593) 11.772 0.999 ( 2.496 12.656 2.212) 13.088 1.112 ( 1.738 6.508 -2.505) 7.187 1.134 ( 0.901 -6.724 0.561) 6.807 1.191 ( 1.692 -7.033 0.493) 7.251 1.244 ( -4.546 -3.683 -5.856) 8.278 1.283 ( -1.224 -10.391 -0.361) 10.469 1.366 ( -4.553 -1.708 -2.414) 5.429 1.432 ( -5.575 -8.904 -3.271) 11.003 1.559 ( 6.657 5.866 2.444) 9.203 1.637 ( 3.148 0.814 3.135) 4.516 1.707 ( -1.365 -0.851 2.823) 3.250 1.774 ( -3.598 -4.141 0.867) 5.554 1.847 ( -2.386 3.328 -0.578) 4.135 1.882 ( -3.716 1.383 3.254) 5.129 1.903 ( -4.388 -1.665 1.136) 4.829 1.950 ( -4.821 -3.839 2.486) 6.645 2.038 ( 1.172 3.832 0.713) 4.070 2.069 ( 0.896 6.450 -5.425) 8.476 2.083 ( -1.533 -0.092 2.100) 2.602 2.142 ( -3.665 -2.158 -1.839) 4.633 2.182 ( -4.031 1.291 1.079) 4.368 2.206 ( -0.756 2.636 2.433) 3.666 2.274 ( -1.611 -2.188 1.194) 2.968 2.284 ( 0.250 0.125 1.889) 1.909 2.332 ( 1.118 -0.259 0.264) 1.178 2.365 ( 3.025 -1.452 -3.583) 4.909 2.368 ( 1.769 3.002 -4.070) 5.357 2.406 ( 2.692 -0.413 -2.542) 3.726 2.426 ( -1.025 2.565 -1.530) 3.158 2.470 ( 1.229 -0.807 1.792) 2.318 2.493 ( 2.015 -1.286 0.636) 2.473 2.504 ( 2.454 -3.478 -0.997) 4.371 2.530 ( 1.083 -1.170 2.606) 3.055 2.561 ( 2.759 -3.162 0.490) 4.225 2.617 ( -3.171 0.960 -2.352) 4.063 2.665 ( -0.268 -3.590 -2.654) 4.472 2.720 ( -0.113 3.570 -1.824) 4.011 2.741 ( 1.282 1.350 -1.315) 2.279 2.795 ( 0.631 1.488 2.739) 3.181 2.822 ( 0.665 0.815 -1.523) 1.851 2.851 ( 2.175 0.518 3.755) 4.370 2.879 ( 1.451 -0.220 1.191) 1.890 2.962 ( -0.641 1.040 0.578) 1.351 2.983 ( 0.517 -1.440 -1.083) 1.874 3.019 ( -1.364 3.315 0.236) 3.593 3.073 ( 1.803 -1.448 -0.260) 2.328 3.348 ( -1.641 1.239 0.921) 2.253 3.364 ( 0.048 0.360 1.893) 1.928 3.406 ( -2.392 2.917 -1.531) 4.071 3.457 ( 0.209 -1.702 -0.754) 1.873 3.731 ( -2.203 1.392 -1.236) 2.884 3.763 ( -0.725 -1.428 1.720) 2.350 3.790 ( -0.314 0.207 -1.049) 1.115 3.818 ( 0.667 -1.961 -0.593) 2.155 3.869 ( -0.628 0.615 -1.024) 1.350 3.883 ( -0.375 -0.824 -0.532) 1.050 3.896 ( -0.367 1.059 -0.845) 1.404 3.927 ( -0.929 -2.358 0.027) 2.534 3.988 ( -2.348 -0.067 0.665) 2.441 3.992 ( -2.414 -0.418 0.738) 2.559 4.027 ( -3.097 -0.603 2.232) 3.865 4.050 ( -4.168 -2.284 1.689) 5.044 4.132 ( -0.349 -0.007 4.621) 4.634 4.151 ( 0.452 -1.338 2.788) 3.125 4.211 ( 0.861 0.528 1.327) 1.668 4.240 ( 1.475 -2.433 -2.727) 3.941 4.264 ( 1.478 -0.342 -2.884) 3.259 4.293 ( 2.240 -2.095 -1.845) 3.579 4.365 ( -0.429 1.961 -1.816) 2.707 4.403 ( 1.908 -1.345 -0.456) 2.379 4.429 ( -0.577 1.292 1.620) 2.151 4.464 ( 0.688 -1.587 0.873) 1.937 4.490 ( 0.184 0.142 1.469) 1.487 4.495 ( -0.034 -1.393 -0.602) 1.518 4.559 ( -0.296 -0.025 -1.002) 1.045 4.570 ( 1.753 -1.268 -1.194) 2.471 4.663 ( -2.352 1.183 -0.521) 2.684 4.678 ( -1.560 -0.300 -1.146) 1.959 4.705 ( 0.891 1.288 1.164) 1.951 4.735 ( -0.746 -1.099 1.999) 2.400 4.764 ( 0.170 2.209 0.075) 2.217 4.821 ( 1.438 -2.991 -1.433) 3.615 4.857 ( -1.512 1.621 -1.305) 2.572 4.872 ( 0.858 0.917 0.086) 1.259 4.895 ( -0.477 -2.320 -2.052) 3.134 4.914 ( 1.368 -2.877 0.168) 3.190 5.019 ( -0.350 1.991 1.591) 2.572 5.048 ( 0.942 -0.320 1.864) 2.113 5.079 ( 0.070 0.751 -0.409) 0.858 5.090 ( -0.454 -0.470 -0.867) 1.086 5.111 ( 0.436 2.130 -1.155) 2.462 5.137 ( 1.516 -0.557 -0.754) 1.782 5.187 ( -2.344 2.439 1.942) 3.900 5.228 ( -1.792 -0.639 1.980) 2.746 5.237 ( -2.281 3.058 -0.091) 3.816 5.271 ( -0.188 0.701 -1.049) 1.275 5.383 ( -0.991 3.171 -0.000) 3.322 5.416 ( 0.923 1.398 1.624) 2.333 5.422 ( -2.401 2.099 -0.657) 3.256 5.454 ( -1.431 1.205 -0.258) 1.888 5.491 ( -1.688 1.060 -0.487) 2.052 5.556 ( 0.086 -1.663 2.179) 2.743 5.603 ( 0.620 3.768 -1.449) 4.084 5.701 ( 3.737 -3.198 -1.518) 5.147 5.731 ( 2.436 2.568 4.264) 5.542 5.780 ( 0.717 1.236 -2.431) 2.819 5.828 ( 2.099 -2.983 -0.920) 3.761 5.879 ( 1.268 -3.509 -3.810) 5.333 5.901 ( -0.554 1.670 -0.030) 1.760 5.918 ( 0.302 -0.425 0.769) 0.929 6.005 ( 0.225 1.920 3.166) 3.709 6.044 ( 0.604 -1.731 0.343) 1.865 6.100 ( 1.824 -0.131 -1.228) 2.203 6.111 ( 1.025 -1.373 -3.269) 3.691 6.226 ( -2.853 3.921 2.964) 5.683 6.256 ( -0.806 0.793 -0.498) 1.236 6.301 ( 0.741 1.965 0.183) 2.108 6.333 ( -0.076 -1.264 -1.663) 2.091 6.357 ( -0.711 -2.030 0.200) 2.160 6.383 ( -1.669 -5.290 2.474) 6.074 6.469 ( 2.513 1.288 -1.361) 3.135 6.514 ( 1.161 -3.106 -0.929) 3.444 6.596 ( -1.138 1.467 2.130) 2.826 6.631 ( -1.826 -1.718 1.312) 2.830 6.670 ( -2.536 1.911 0.928) 3.308 6.706 ( -1.203 -1.193 -1.628) 2.349 6.760 ( 0.981 0.982 -0.173) 1.399 6.826 ( 2.198 -4.317 -0.143) 4.847 6.940 ( 0.594 1.534 -0.184) 1.655 6.959 ( -0.033 -0.740 -0.351) 0.820 6.961 ( 1.075 0.892 0.043) 1.397 6.977 ( -1.128 0.670 -0.122) 1.318 6.992 ( 1.912 0.025 -0.257) 1.929 7.001 ( -0.650 -0.337 -0.545) 0.913 7.114 ( 1.141 1.526 -0.015) 1.906 7.140 ( 2.070 -2.246 1.004) 3.215 7.157 ( 1.386 -0.142 1.429) 1.996 7.183 ( 1.966 -1.305 -1.143) 2.622 7.302 ( -1.191 0.640 -2.039) 2.447 7.312 ( 0.262 0.740 2.900) 3.004 7.320 ( -0.213 -1.197 -1.987) 2.329 7.323 ( 0.273 0.466 0.500) 0.736 7.370 ( 2.858 -2.116 2.016) 4.088 7.377 ( 1.186 -1.901 -3.247) 3.945 7.510 ( -0.689 1.222 -0.583) 1.519 7.527 ( 0.666 -0.285 -0.498) 0.879 7.603 ( -4.491 0.004 0.876) 4.576 7.605 ( -3.971 0.034 0.406) 3.991 7.716 ( -0.473 2.185 1.152) 2.515 7.748 ( -0.573 -1.162 1.444) 1.940 7.801 ( 0.605 1.808 3.139) 3.673 7.826 ( -0.044 -0.858 2.109) 2.278 7.865 ( 0.301 1.523 -3.966) 4.259 7.873 ( 0.879 1.042 -4.502) 4.704 7.951 ( -0.693 0.561 -0.754) 1.168 7.986 ( -0.953 -2.575 -0.556) 2.802 8.058 ( -0.993 0.941 0.612) 1.498 8.082 ( -0.348 -1.839 0.789) 2.031 8.106 ( -0.455 2.344 -1.431) 2.784 8.152 ( -0.313 -2.073 -2.312) 3.121 8.218 ( -0.854 2.104 0.686) 2.372 8.248 ( -2.849 0.052 3.151) 4.248 8.291 ( 1.364 1.357 2.239) 2.953 8.328 ( -0.162 -1.594 2.295) 2.800 8.427 ( 2.087 0.328 -0.661) 2.214 8.435 ( 1.201 -0.253 -2.319) 2.624 8.524 ( -1.307 2.544 0.298) 2.876 8.570 ( 0.005 -1.509 -0.763) 1.691 8.631 ( -3.803 1.059 0.523) 3.982 8.682 ( -2.181 -3.564 -0.747) 4.244 8.812 ( -0.401 0.421 0.207) 0.617 8.818 ( -1.420 -0.319 -0.000) 1.455 9.111 ( 1.414 1.705 1.124) 2.484 9.128 ( 2.699 0.383 1.000) 2.904 9.181 ( 0.880 0.122 -1.840) 2.044 9.190 ( 1.287 -0.879 0.888) 1.794 9.302 ( 1.917 0.834 -0.271) 2.108 9.315 ( 1.899 -0.577 -0.202) 1.995 11.526 ( -1.704 0.434 0.197) 1.769 11.536 ( -1.775 -0.688 0.282) 1.924 11.602 ( 1.117 0.521 -0.184) 1.246 11.614 ( 1.063 -0.754 -0.571) 1.423 11.736 ( 0.329 1.082 0.293) 1.168 11.748 ( 1.067 1.097 0.058) 1.532 11.754 ( 0.559 -0.550 -0.153) 0.799 11.768 ( 1.360 -0.700 0.015) 1.529 12.133 ( 0.134 0.096 -0.091) 0.188 12.134 ( 0.177 -0.017 0.006) 0.177 12.153 ( 0.133 0.377 0.201) 0.447 12.159 ( 0.350 -0.261 -0.120) 0.453 14.557 ( 1.308 1.652 -0.528) 2.172 14.573 ( 2.252 0.243 0.077) 2.267 14.700 ( -0.395 1.313 0.180) 1.383 14.735 ( 1.724 -2.014 1.368) 2.983 14.807 ( -0.573 1.585 -0.686) 1.820 14.835 ( 0.897 -1.350 -0.858) 1.834 14.877 ( -0.368 0.400 0.154) 0.565 14.883 ( -0.032 -0.260 0.458) 0.527 15.171 ( -0.522 1.430 -0.182) 1.533 15.186 ( 0.026 0.282 -0.214) 0.355 15.217 ( -0.420 0.252 0.027) 0.490 15.228 ( -0.036 -0.467 0.440) 0.643 15.474 ( -0.795 -0.117 -1.335) 1.558 15.497 ( 0.627 -2.753 1.338) 3.125 15.563 ( -0.924 -0.089 -0.360) 0.996 15.572 ( -0.316 -1.109 0.310) 1.194 16.045 ( -0.339 2.740 2.110) 3.475 16.070 ( 0.441 1.256 -1.034) 1.686 16.114 ( -0.061 -1.107 -0.414) 1.184 16.137 ( 0.460 -2.851 -0.914) 3.029 16.415 ( 0.759 0.517 -0.218) 0.944 16.425 ( 0.893 -0.386 -1.505) 1.792 16.519 ( -0.625 -0.822 1.527) 1.843 16.530 ( -0.259 -2.302 0.659) 2.409 16.604 ( -1.598 1.013 1.202) 2.242 16.620 ( -1.260 -0.448 0.623) 1.476 16.749 ( 1.614 1.514 -0.784) 2.348 16.784 ( 2.757 -2.060 -1.359) 3.700 17.017 ( -3.308 3.612 0.398) 4.914 17.047 ( -0.969 2.189 2.238) 3.277 17.089 ( -1.929 -0.342 -2.132) 2.895 17.134 ( 0.251 -3.058 -0.796) 3.170 18.019 ( -1.276 1.446 0.119) 1.932 18.036 ( -1.102 -0.430 0.131) 1.190 18.109 ( 1.211 0.379 -0.255) 1.294 18.115 ( 1.720 -0.178 -0.391) 1.773 ======================= Grid point 49 (27/30) ======================= q-point: ( 0.33 0.40 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( 1.929 10.536 -6.121) 12.336 0.949 ( 2.154 6.235 0.686) 6.632 1.059 ( -2.067 1.259 1.836) 3.038 1.124 ( -1.655 4.294 0.029) 4.602 1.146 ( 1.791 5.074 -2.573) 5.964 1.158 ( 0.128 -11.847 1.197) 11.908 1.247 ( 2.683 -3.898 0.434) 4.752 1.287 ( 3.493 -2.059 1.810) 4.440 1.319 ( -2.198 -4.946 3.551) 6.473 1.359 ( 2.027 -5.959 -0.878) 6.355 1.613 ( -0.506 5.364 -2.667) 6.012 1.643 ( -2.607 2.682 3.479) 5.109 1.718 ( -3.566 -2.998 3.601) 5.888 1.745 ( 2.065 -2.781 -2.341) 4.181 1.793 ( -0.418 -1.211 -5.615) 5.759 1.805 ( -6.698 -0.642 0.795) 6.775 1.850 ( -1.465 -1.553 0.906) 2.319 1.886 ( -5.711 -2.751 7.451) 9.783 1.986 ( -6.588 3.618 -0.268) 7.521 2.011 ( -3.319 3.566 -4.451) 6.599 2.055 ( -3.633 -1.889 -1.062) 4.230 2.090 ( -0.062 -1.998 -2.214) 2.983 2.159 ( 0.639 0.846 1.458) 1.802 2.181 ( -2.864 -0.514 3.385) 4.464 2.292 ( 1.837 1.523 -2.216) 3.257 2.322 ( -0.991 -1.148 -1.952) 2.472 2.328 ( 2.179 2.163 -0.688) 3.146 2.345 ( 0.771 0.254 0.905) 1.215 2.410 ( 0.727 3.038 0.801) 3.225 2.421 ( 1.889 2.784 0.607) 3.418 2.434 ( -0.399 2.432 -0.212) 2.473 2.492 ( 4.500 -1.164 -0.198) 4.652 2.519 ( -2.058 -0.216 2.381) 3.155 2.538 ( 1.341 -1.541 2.134) 2.954 2.550 ( 0.868 2.201 0.934) 2.544 2.594 ( 0.600 -3.995 -1.748) 4.402 2.639 ( 4.509 0.742 -1.885) 4.944 2.666 ( 2.016 0.198 -2.429) 3.163 2.725 ( 1.247 1.367 -1.931) 2.674 2.744 ( 2.510 -1.745 0.596) 3.115 2.809 ( -0.788 1.944 0.136) 2.102 2.827 ( 0.686 0.650 -0.096) 0.950 2.903 ( -0.021 1.297 2.000) 2.384 2.917 ( 0.094 0.862 -0.567) 1.036 2.949 ( 1.532 2.835 1.912) 3.747 2.994 ( -0.407 1.239 -0.959) 1.619 2.997 ( 0.689 -1.285 0.260) 1.481 3.085 ( -0.953 -4.673 -0.380) 4.784 3.303 ( -3.066 1.381 -0.268) 3.373 3.326 ( -3.208 -0.258 -1.461) 3.534 3.404 ( 0.668 3.436 1.609) 3.853 3.454 ( 0.251 -1.440 -0.952) 1.744 3.685 ( -1.010 1.833 -2.885) 3.564 3.731 ( -1.891 -2.957 -3.981) 5.307 3.779 ( -0.280 1.168 0.325) 1.244 3.832 ( -0.964 -4.350 0.772) 4.522 3.844 ( -0.518 0.831 0.311) 1.027 3.872 ( -0.301 -1.801 1.060) 2.111 3.886 ( -0.403 -0.447 0.079) 0.607 3.908 ( -0.927 -2.679 0.316) 2.853 3.954 ( -2.522 -0.102 1.448) 2.910 3.967 ( -0.378 -1.477 -0.406) 1.578 3.996 ( -1.497 0.179 0.214) 1.523 4.013 ( -0.823 -1.472 0.049) 1.687 4.144 ( -1.340 1.320 4.023) 4.441 4.160 ( -1.252 0.188 2.005) 2.371 4.199 ( -2.079 1.278 -2.101) 3.220 4.245 ( 1.650 -2.113 -4.048) 4.855 4.293 ( 1.538 0.261 1.220) 1.981 4.315 ( 0.657 -0.863 1.254) 1.658 4.356 ( 0.108 3.214 1.065) 3.387 4.415 ( 0.436 -1.793 -1.173) 2.186 4.437 ( 0.615 0.249 -0.273) 0.717 4.464 ( -0.325 -2.203 0.151) 2.232 4.485 ( -0.271 1.579 1.190) 1.996 4.501 ( -0.357 0.045 1.238) 1.289 4.574 ( 2.879 2.640 -0.589) 3.951 4.610 ( 1.003 -0.028 0.506) 1.123 4.627 ( -0.441 -0.356 0.190) 0.598 4.656 ( -0.367 -1.957 -0.408) 2.032 4.731 ( 1.572 0.768 0.217) 1.763 4.740 ( -0.105 -0.169 1.775) 1.786 4.767 ( -0.291 2.463 1.009) 2.677 4.818 ( -1.026 -2.823 0.322) 3.021 4.844 ( -0.015 0.889 -0.470) 1.006 4.876 ( 0.234 -2.279 -2.442) 3.349 4.891 ( 0.993 0.723 -1.810) 2.188 4.924 ( 0.668 -3.072 -2.095) 3.778 5.020 ( -0.862 2.623 1.734) 3.260 5.054 ( -1.074 -0.576 0.611) 1.363 5.083 ( 0.308 1.493 1.290) 1.997 5.096 ( 1.309 -0.026 0.916) 1.598 5.113 ( -0.682 3.437 0.226) 3.511 5.160 ( -1.336 1.142 0.198) 1.769 5.163 ( 1.320 -0.875 1.206) 1.991 5.201 ( -1.301 -2.045 0.584) 2.493 5.211 ( -1.347 1.135 1.336) 2.210 5.259 ( -1.046 -0.662 -0.035) 1.238 5.339 ( -3.842 3.541 -0.564) 5.255 5.376 ( -1.259 -1.645 -1.331) 2.462 5.418 ( -0.755 3.268 0.933) 3.482 5.449 ( 0.417 3.986 0.500) 4.039 5.478 ( 0.110 -1.480 0.418) 1.542 5.540 ( -0.639 -2.034 -1.250) 2.472 5.649 ( 2.550 5.127 1.986) 6.061 5.727 ( 2.137 0.060 -5.591) 5.986 5.781 ( 0.185 1.590 -3.661) 3.995 5.800 ( 0.752 0.212 0.493) 0.923 5.833 ( 1.995 -1.376 0.052) 2.423 5.854 ( -0.663 -2.559 -0.704) 2.735 5.917 ( 1.000 -0.999 0.521) 1.507 5.931 ( 1.160 -2.247 -0.839) 2.665 6.032 ( 1.205 2.965 0.802) 3.299 6.063 ( 1.510 -0.975 -0.123) 1.802 6.103 ( 0.563 -0.480 -2.679) 2.779 6.126 ( 1.035 -1.771 -0.109) 2.054 6.206 ( -1.678 2.497 2.582) 3.965 6.246 ( -0.593 -0.012 0.804) 0.999 6.314 ( -0.596 -0.169 -1.052) 1.221 6.318 ( 0.318 -0.325 -1.397) 1.469 6.341 ( -0.738 -1.301 2.348) 2.784 6.379 ( -0.776 -4.791 3.104) 5.761 6.481 ( -0.899 0.788 0.843) 1.463 6.506 ( -1.321 -1.528 0.313) 2.045 6.617 ( 1.778 0.029 -0.419) 1.827 6.630 ( 1.050 -1.501 -0.105) 1.834 6.655 ( -0.163 1.942 1.685) 2.577 6.692 ( 0.390 -1.173 -0.885) 1.520 6.777 ( 0.900 2.051 1.260) 2.570 6.845 ( 0.239 -3.944 0.390) 3.971 6.929 ( -2.018 1.727 -0.649) 2.735 6.949 ( 0.058 0.748 0.074) 0.754 6.960 ( -0.326 1.010 -0.937) 1.416 6.983 ( -0.773 0.232 -0.806) 1.140 6.989 ( 0.739 0.831 0.263) 1.142 7.025 ( 1.844 -1.177 -0.655) 2.283 7.137 ( 0.951 4.448 0.378) 4.564 7.168 ( 0.376 -0.287 0.292) 0.556 7.198 ( 1.580 -2.353 1.330) 3.131 7.207 ( 1.453 -2.293 -0.905) 2.861 7.271 ( -0.764 1.602 -0.572) 1.865 7.303 ( 1.061 0.994 -3.550) 3.836 7.320 ( 0.651 -2.304 -0.318) 2.416 7.336 ( -0.753 -0.043 1.482) 1.663 7.390 ( 1.603 -0.071 -0.661) 1.736 7.440 ( 2.351 -3.471 2.721) 4.998 7.477 ( -2.207 1.244 -0.017) 2.534 7.511 ( -1.821 -1.627 -0.445) 2.482 7.552 ( -1.406 1.073 0.470) 1.830 7.571 ( -0.206 -1.056 -1.121) 1.554 7.720 ( 0.100 2.610 1.303) 2.919 7.743 ( -0.794 0.283 1.044) 1.342 7.791 ( -2.717 -0.092 0.529) 2.770 7.808 ( -1.501 -0.874 -1.700) 2.430 7.863 ( 0.001 1.662 -0.229) 1.678 7.882 ( 1.216 -0.391 0.665) 1.440 7.942 ( 0.182 0.959 -0.553) 1.122 7.970 ( 0.131 -1.981 -0.323) 2.011 8.028 ( -1.388 2.093 -0.908) 2.670 8.066 ( -1.058 -1.957 -0.947) 2.418 8.117 ( 1.089 0.283 -0.398) 1.193 8.129 ( -0.292 -1.074 -0.107) 1.118 8.227 ( 0.808 0.745 0.056) 1.100 8.235 ( -0.711 0.195 1.154) 1.370 8.318 ( -0.647 1.700 2.422) 3.029 8.334 ( -0.051 0.126 1.284) 1.291 8.414 ( -1.656 1.933 -0.650) 2.627 8.440 ( 0.047 -1.250 -1.095) 1.662 8.513 ( -0.016 1.079 -0.218) 1.101 8.554 ( -1.286 -2.254 -0.576) 2.658 8.596 ( -1.002 0.312 1.002) 1.451 8.648 ( -0.696 -4.177 -0.975) 4.346 8.791 ( -0.955 1.053 -0.298) 1.453 8.806 ( -0.169 -0.585 -0.567) 0.832 9.130 ( 0.312 1.877 0.334) 1.932 9.162 ( -0.712 -1.492 0.200) 1.666 9.199 ( 2.464 2.472 0.948) 3.617 9.230 ( 2.738 -0.768 -0.308) 2.860 9.333 ( 1.440 0.789 -0.154) 1.649 9.343 ( 1.209 -0.117 -0.264) 1.243 11.501 ( -1.098 0.372 0.159) 1.170 11.509 ( -1.389 -0.436 0.181) 1.467 11.616 ( 0.731 0.107 -0.316) 0.804 11.624 ( 0.605 -0.713 -0.643) 1.135 11.747 ( 0.499 1.357 0.572) 1.555 11.763 ( 0.844 1.267 -0.363) 1.565 11.770 ( 0.803 -0.555 0.564) 1.127 11.789 ( 1.045 -0.932 -0.218) 1.417 12.136 ( 0.189 0.135 -0.027) 0.234 12.138 ( 0.177 -0.054 0.012) 0.186 12.157 ( 0.139 0.392 0.175) 0.451 12.164 ( 0.268 -0.316 -0.190) 0.456 14.585 ( 2.070 1.908 -0.303) 2.831 14.616 ( 2.100 -1.284 0.286) 2.478 14.694 ( 0.032 3.891 -0.455) 3.917 14.761 ( -0.300 -2.678 -0.424) 2.728 14.807 ( 0.888 1.748 1.971) 2.780 14.845 ( 0.804 -1.614 -0.516) 1.876 14.872 ( -0.358 0.425 0.160) 0.578 14.886 ( -0.475 -1.247 1.078) 1.715 15.160 ( -0.086 1.173 -0.830) 1.439 15.178 ( -0.072 -0.253 -0.987) 1.021 15.205 ( -0.621 0.804 -0.585) 1.172 15.226 ( -0.680 -0.982 0.379) 1.254 15.463 ( 0.445 1.846 -0.727) 2.033 15.505 ( -0.312 -2.461 0.363) 2.507 15.545 ( -0.566 0.242 -0.473) 0.776 15.564 ( -0.794 -1.497 0.072) 1.697 16.049 ( -0.727 3.232 1.849) 3.794 16.073 ( 0.881 2.355 -1.491) 2.923 16.114 ( 0.131 -2.504 0.240) 2.519 16.134 ( -0.109 -3.697 -0.534) 3.737 16.428 ( 0.894 0.798 -0.256) 1.226 16.438 ( 1.436 -0.291 -0.976) 1.760 16.517 ( -0.580 -0.668 1.038) 1.364 16.527 ( -0.449 -1.966 0.311) 2.040 16.586 ( -1.085 0.452 0.815) 1.430 16.599 ( -1.633 -0.789 0.826) 1.992 16.782 ( 2.514 2.260 -0.433) 3.408 16.819 ( 2.042 -1.656 -1.003) 2.814 16.962 ( -2.705 4.767 0.030) 5.481 17.030 ( -2.594 1.915 -2.612) 4.149 17.057 ( -0.163 -1.414 2.936) 3.262 17.125 ( -0.627 -4.144 -0.395) 4.210 18.007 ( -0.348 0.791 0.329) 0.925 18.019 ( -1.022 -0.429 0.347) 1.161 18.126 ( 0.830 0.600 -0.120) 1.031 18.135 ( 0.739 -0.334 -0.248) 0.848 ======================= Grid point 50 (28/30) ======================= q-point: (-0.50 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( -1.643 2.472 -1.585) 3.366 0.931 ( -2.821 -1.695 -4.291) 5.408 0.979 ( -7.454 4.530 2.011) 8.952 1.051 ( 4.709 -4.693 -1.221) 6.760 1.203 ( -2.659 1.307 0.596) 3.022 1.227 ( 2.109 -3.721 0.219) 4.283 1.282 ( 8.390 5.869 1.686) 10.377 1.364 ( 1.399 -0.367 5.668) 5.850 1.384 ( 1.748 -0.114 -5.625) 5.891 1.416 ( 3.611 1.062 1.845) 4.192 1.591 ( -1.804 -1.903 3.205) 4.141 1.621 ( -0.749 -3.578 2.091) 4.212 1.662 ( -2.121 2.569 0.204) 3.338 1.715 ( -3.614 -0.499 0.917) 3.762 1.746 ( 1.115 -1.393 -4.875) 5.191 1.773 ( 1.736 -2.382 -4.675) 5.527 1.825 ( -0.451 1.128 1.253) 1.745 1.881 ( -0.745 -2.257 5.858) 6.322 1.913 ( -0.109 2.073 -2.499) 3.249 1.939 ( -2.309 0.216 0.705) 2.424 2.013 ( -0.784 -3.080 0.542) 3.224 2.060 ( 0.325 -4.543 -4.610) 6.481 2.158 ( -1.839 1.633 2.563) 3.553 2.185 ( -0.369 -0.688 2.021) 2.167 2.273 ( -0.586 1.064 -3.369) 3.581 2.298 ( 2.112 -0.487 -3.954) 4.509 2.360 ( -0.573 2.451 1.750) 3.065 2.379 ( -0.023 0.485 0.418) 0.641 2.394 ( -0.796 0.992 1.163) 1.723 2.413 ( -1.609 -0.637 4.011) 4.368 2.489 ( 0.515 3.788 -1.819) 4.233 2.510 ( 1.639 4.358 2.933) 5.503 2.537 ( -0.534 1.278 -0.177) 1.396 2.559 ( -0.261 0.773 2.367) 2.504 2.591 ( 2.469 0.468 -3.974) 4.702 2.600 ( 0.215 -0.782 1.220) 1.465 2.661 ( 2.179 0.044 -1.011) 2.403 2.686 ( 1.250 -2.239 -1.625) 3.035 2.736 ( -0.237 -0.015 -0.878) 0.910 2.738 ( -1.719 -0.046 -0.046) 1.721 2.834 ( 1.167 2.969 1.993) 3.762 2.859 ( 0.829 1.553 -0.055) 1.761 2.882 ( 0.256 2.244 -0.554) 2.326 2.901 ( 0.191 2.006 -2.877) 3.513 2.976 ( -1.583 0.497 2.073) 2.655 3.002 ( -0.229 -0.458 0.127) 0.527 3.006 ( -1.376 -1.429 2.195) 2.959 3.049 ( 0.329 -5.746 -1.891) 6.058 3.268 ( -0.135 1.499 -0.343) 1.543 3.280 ( -0.234 0.687 -1.318) 1.505 3.421 ( 0.023 2.512 1.588) 2.972 3.452 ( 0.157 -0.645 -1.152) 1.330 3.659 ( -0.375 -0.029 -2.056) 2.090 3.672 ( -1.557 -1.217 -3.474) 3.997 3.785 ( 1.432 -1.907 0.049) 2.385 3.795 ( -0.853 -2.843 -0.501) 3.010 3.866 ( 0.458 0.611 1.094) 1.334 3.874 ( -0.325 0.759 0.123) 0.835 3.903 ( 1.054 -2.595 1.251) 3.068 3.910 ( 0.357 -2.875 0.198) 2.904 3.936 ( -0.579 0.550 2.813) 2.924 3.962 ( 0.065 -2.025 0.875) 2.207 3.982 ( 0.037 -0.574 -0.838) 1.016 3.992 ( -0.621 -1.371 -3.346) 3.669 4.134 ( -2.153 0.735 2.078) 3.081 4.146 ( -1.974 -0.339 3.502) 4.034 4.179 ( 1.636 3.298 -1.041) 3.825 4.240 ( 1.135 -2.704 -3.644) 4.677 4.305 ( -0.868 2.022 1.635) 2.741 4.325 ( 0.557 1.382 -0.544) 1.586 4.390 ( 1.245 0.301 1.776) 2.190 4.419 ( -0.536 -1.853 -1.409) 2.389 4.426 ( 1.201 1.721 0.739) 2.225 4.457 ( -0.670 -0.363 -0.549) 0.939 4.506 ( -0.182 1.653 1.858) 2.494 4.530 ( 2.542 0.176 1.135) 2.790 4.593 ( -1.084 1.606 0.945) 2.156 4.620 ( 0.761 0.754 -0.883) 1.388 4.632 ( -0.023 0.202 0.790) 0.815 4.652 ( 0.416 -2.727 -0.655) 2.836 4.735 ( -2.101 2.202 1.724) 3.498 4.763 ( 1.216 -0.164 0.831) 1.482 4.785 ( 2.290 0.520 -0.158) 2.354 4.801 ( -1.016 -1.712 -0.456) 2.042 4.834 ( -1.123 -0.023 1.100) 1.572 4.857 ( -1.552 -1.634 -0.596) 2.331 4.883 ( 0.861 0.711 -2.993) 3.195 4.907 ( 0.144 -1.074 -3.376) 3.546 5.028 ( 0.714 2.130 1.023) 2.468 5.047 ( 0.200 0.231 0.222) 0.378 5.083 ( -1.455 0.337 1.159) 1.890 5.106 ( -0.795 -2.569 -0.042) 2.690 5.135 ( 1.856 3.282 2.252) 4.392 5.158 ( 1.015 0.873 1.128) 1.751 5.177 ( -0.670 -0.844 0.222) 1.100 5.187 ( -0.521 -0.059 -0.265) 0.587 5.209 ( -0.616 -0.528 2.348) 2.484 5.245 ( 0.473 -2.375 0.206) 2.430 5.309 ( 0.461 2.171 0.275) 2.236 5.341 ( -1.008 -1.615 -2.200) 2.909 5.424 ( -0.665 4.430 1.598) 4.756 5.447 ( 0.385 6.022 -0.309) 6.042 5.493 ( -0.191 -2.281 1.683) 2.841 5.531 ( 0.877 -1.131 -1.936) 2.407 5.678 ( -1.400 3.032 0.996) 3.485 5.713 ( -1.834 0.986 -3.006) 3.657 5.736 ( 1.108 -1.207 -2.532) 3.016 5.776 ( 0.176 -2.504 -4.803) 5.419 5.864 ( -0.423 1.094 1.600) 1.984 5.883 ( 1.854 -0.749 0.654) 2.104 5.916 ( -0.794 0.388 0.389) 0.965 5.951 ( 1.998 -2.656 -2.139) 3.953 6.048 ( -1.519 3.156 1.484) 3.804 6.074 ( 0.193 0.047 -0.543) 0.578 6.110 ( 0.752 -1.898 -1.189) 2.363 6.115 ( -0.189 -2.148 -1.721) 2.759 6.209 ( -0.101 2.234 3.029) 3.765 6.244 ( 0.038 0.475 0.399) 0.622 6.290 ( -1.268 -2.024 0.375) 2.418 6.312 ( 0.854 -2.005 -1.137) 2.458 6.378 ( 1.766 0.184 2.212) 2.836 6.388 ( -0.543 -1.879 1.662) 2.566 6.465 ( -1.513 0.136 1.665) 2.254 6.494 ( -0.163 -2.208 -0.054) 2.215 6.628 ( 0.098 0.125 -0.398) 0.428 6.650 ( 1.741 -1.011 -1.047) 2.269 6.671 ( 0.055 0.555 1.367) 1.476 6.694 ( 0.109 -0.023 -0.508) 0.520 6.806 ( 0.012 0.858 2.697) 2.830 6.840 ( -1.139 -2.049 0.236) 2.356 6.903 ( 0.104 1.360 -0.335) 1.404 6.929 ( -0.722 -0.984 -1.636) 2.041 6.961 ( 0.450 1.806 -0.308) 1.887 6.973 ( 0.033 2.292 -0.484) 2.343 6.997 ( 0.862 0.346 -0.245) 0.961 7.030 ( 0.042 -1.281 -2.309) 2.641 7.150 ( -0.841 3.548 0.908) 3.757 7.160 ( -0.167 2.754 0.467) 2.798 7.213 ( -0.340 -2.547 0.532) 2.625 7.223 ( 0.489 -3.416 -0.069) 3.452 7.262 ( -1.439 1.753 0.984) 2.472 7.303 ( 0.905 1.062 -1.890) 2.350 7.318 ( -1.149 -2.398 -0.549) 2.715 7.337 ( 0.559 -2.079 -0.268) 2.169 7.405 ( 0.318 1.651 1.276) 2.110 7.454 ( 0.586 -1.502 -1.348) 2.101 7.482 ( 1.250 0.012 1.955) 2.320 7.499 ( -0.214 -0.970 0.530) 1.126 7.541 ( -0.426 0.579 -0.059) 0.721 7.565 ( 0.406 -2.191 -1.528) 2.702 7.724 ( -1.409 1.433 0.989) 2.240 7.738 ( -2.026 0.921 0.975) 2.430 7.747 ( -0.463 0.970 0.550) 1.207 7.789 ( 2.037 -1.889 -1.859) 3.343 7.866 ( -0.237 1.944 1.364) 2.387 7.892 ( 0.137 -0.702 -0.310) 0.779 7.950 ( 0.954 1.180 -0.215) 1.532 7.976 ( 0.671 -1.135 -1.322) 1.867 8.018 ( 0.588 0.644 0.198) 0.894 8.045 ( -0.314 -1.705 -1.899) 2.571 8.126 ( -0.323 -0.094 0.479) 0.585 8.130 ( 0.474 -0.526 -0.130) 0.720 8.231 ( -0.277 0.631 -0.075) 0.693 8.239 ( 1.002 -0.286 -0.778) 1.300 8.311 ( -1.712 2.762 3.052) 4.458 8.345 ( -0.166 0.560 1.802) 1.894 8.391 ( -0.667 1.676 0.233) 1.819 8.433 ( 0.791 -1.609 -1.791) 2.534 8.518 ( 0.065 -0.518 0.205) 0.561 8.530 ( 0.053 -1.852 -0.920) 2.068 8.601 ( 0.207 -0.152 1.321) 1.345 8.635 ( -0.029 -3.533 -1.591) 3.875 8.785 ( 0.018 1.002 0.259) 1.035 8.799 ( -0.133 -0.472 -0.865) 0.994 9.131 ( -0.676 0.941 0.965) 1.508 9.142 ( -1.167 -0.170 0.036) 1.180 9.240 ( 1.091 1.970 0.879) 2.418 9.264 ( 1.549 -0.575 -1.154) 2.015 9.342 ( -0.518 0.763 0.232) 0.951 9.348 ( -0.449 0.138 -0.276) 0.545 11.494 ( 0.057 0.111 0.226) 0.258 11.496 ( -0.180 -0.101 0.055) 0.214 11.622 ( 0.081 -0.163 -0.240) 0.301 11.626 ( 0.087 -0.617 -0.632) 0.888 11.755 ( -0.141 1.592 0.751) 1.766 11.769 ( 0.101 1.465 -0.488) 1.547 11.782 ( 0.017 -0.839 0.767) 1.137 11.796 ( -0.007 -0.967 -0.471) 1.076 12.138 ( 0.050 0.100 0.049) 0.122 12.139 ( 0.002 -0.024 -0.016) 0.029 12.159 ( -0.070 0.329 0.203) 0.393 12.165 ( 0.008 -0.266 -0.269) 0.378 14.614 ( 0.763 1.213 0.331) 1.471 14.625 ( -0.812 0.195 -0.601) 1.029 14.708 ( 0.892 2.363 0.901) 2.682 14.735 ( -0.937 0.155 -1.589) 1.851 14.834 ( -0.241 0.227 1.995) 2.022 14.857 ( 0.690 -1.175 -0.153) 1.371 14.872 ( -0.494 -0.659 0.513) 0.970 14.880 ( 0.583 -1.357 0.076) 1.479 15.158 ( -0.034 1.382 -0.253) 1.405 15.171 ( -0.045 0.866 -1.325) 1.584 15.198 ( -0.146 -0.622 0.346) 0.727 15.212 ( -0.285 -1.322 -0.634) 1.494 15.476 ( 1.129 1.590 0.341) 1.979 15.489 ( -1.322 0.536 -0.667) 1.575 15.546 ( 0.675 -1.360 0.089) 1.521 15.550 ( -0.650 -1.512 -0.209) 1.659 16.045 ( -0.958 3.366 1.452) 3.789 16.080 ( 1.020 2.796 -1.551) 3.356 16.114 ( -0.704 -3.991 0.940) 4.160 16.134 ( 0.674 -3.031 -0.693) 3.182 16.439 ( 0.317 1.067 -0.143) 1.122 16.452 ( 0.763 -0.185 -1.193) 1.429 16.514 ( -0.518 -0.857 0.931) 1.367 16.521 ( -0.295 -1.702 0.172) 1.736 16.578 ( -0.796 -0.011 1.035) 1.305 16.585 ( 0.071 -0.776 0.643) 1.010 16.816 ( 0.734 1.559 0.099) 1.727 16.829 ( -0.092 0.413 -1.095) 1.174 16.941 ( 0.407 3.556 0.864) 3.682 16.974 ( -1.488 1.678 -2.236) 3.167 17.083 ( 1.034 -1.801 2.075) 2.936 17.114 ( 0.019 -3.812 -0.885) 3.913 18.008 ( -0.321 0.226 0.362) 0.534 18.011 ( 0.358 -0.119 0.157) 0.409 18.134 ( -0.005 0.420 0.068) 0.426 18.139 ( 0.214 -0.242 -0.359) 0.483 ======================= Grid point 51 (29/30) ======================= q-point: (-0.33 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.779 ( -6.511 11.459 2.618) 13.437 0.884 ( -2.714 5.711 1.872) 6.594 0.997 ( 3.748 -2.876 3.036) 5.616 1.123 ( 2.054 -10.124 2.456) 10.618 1.192 ( 1.840 4.014 -2.804) 5.231 1.246 ( -1.560 2.434 -4.457) 5.313 1.272 ( -1.461 -3.104 -4.071) 5.324 1.356 ( -4.165 -2.017 -0.329) 4.639 1.403 ( 4.312 -0.082 -4.422) 6.177 1.444 ( -0.751 -2.625 -3.268) 4.259 1.609 ( 3.182 2.287 -1.586) 4.227 1.625 ( -0.345 0.196 7.399) 7.409 1.674 ( -0.753 -2.088 2.062) 3.030 1.713 ( 1.540 -3.201 3.401) 4.917 1.761 ( 1.381 4.132 -4.205) 6.055 1.785 ( 4.033 -0.452 -0.985) 4.176 1.892 ( 5.632 1.800 2.957) 6.610 1.909 ( 1.573 6.332 -0.353) 6.534 1.947 ( 4.098 -3.054 1.045) 5.217 1.964 ( 3.690 -0.030 3.166) 4.862 2.033 ( 1.942 -4.337 2.234) 5.251 2.055 ( 1.645 -5.124 -2.420) 5.901 2.151 ( -0.077 0.605 1.814) 1.913 2.179 ( -1.285 -1.578 2.241) 3.028 2.248 ( -1.765 3.591 0.556) 4.039 2.318 ( 1.497 -1.367 -1.869) 2.758 2.343 ( -0.125 2.012 -1.534) 2.533 2.372 ( -0.999 0.722 -1.708) 2.107 2.383 ( -1.062 0.788 0.211) 1.339 2.396 ( -3.073 -0.011 3.433) 4.607 2.480 ( -1.275 1.808 1.564) 2.710 2.499 ( -0.532 1.058 -1.229) 1.707 2.547 ( 0.050 2.214 -1.775) 2.838 2.568 ( -1.697 0.136 2.737) 3.223 2.586 ( 0.935 -1.808 -3.001) 3.626 2.592 ( -0.456 -1.876 -1.842) 2.668 2.638 ( -0.899 1.167 -2.591) 2.980 2.664 ( -2.832 -1.597 -1.939) 3.786 2.751 ( -0.282 2.196 -2.407) 3.270 2.761 ( 2.254 2.034 1.918) 3.591 2.792 ( -4.115 1.008 -1.695) 4.563 2.836 ( 0.633 -1.296 -0.499) 1.527 2.889 ( -0.503 1.059 0.993) 1.536 2.917 ( -2.008 -2.292 1.453) 3.376 2.958 ( -1.504 1.764 1.604) 2.819 2.968 ( -0.726 1.901 0.530) 2.102 2.994 ( -0.011 1.778 0.466) 1.838 3.077 ( 1.353 -3.432 0.030) 3.690 3.293 ( 2.162 1.284 0.766) 2.629 3.304 ( 3.088 0.175 -0.574) 3.146 3.425 ( -0.530 1.590 0.999) 1.951 3.445 ( 0.076 -0.310 -1.081) 1.127 3.640 ( 0.165 0.519 -0.257) 0.602 3.663 ( 1.187 -1.782 0.779) 2.278 3.807 ( 2.381 -0.347 -1.468) 2.819 3.835 ( 3.271 -2.374 0.254) 4.050 3.853 ( -1.093 -0.135 0.238) 1.126 3.873 ( -0.613 -0.675 -0.957) 1.322 3.904 ( -0.244 -2.247 0.542) 2.324 3.915 ( -0.015 -1.706 -1.047) 2.002 3.965 ( 0.861 0.538 3.089) 3.252 3.973 ( 1.540 -0.202 -1.180) 1.951 3.987 ( 2.063 -1.163 -1.221) 2.665 3.997 ( 1.454 -1.767 1.476) 2.723 4.121 ( -1.177 1.625 2.734) 3.391 4.142 ( -1.592 -1.118 4.325) 4.742 4.211 ( 2.758 1.139 -1.356) 3.278 4.239 ( 1.020 -0.505 -3.027) 3.234 4.303 ( 0.736 0.658 0.072) 0.990 4.332 ( -0.656 -0.392 0.261) 0.808 4.393 ( -0.399 0.696 -0.157) 0.818 4.405 ( -1.927 0.402 -1.534) 2.495 4.442 ( 0.870 0.474 -0.794) 1.270 4.456 ( 0.236 0.482 1.208) 1.322 4.503 ( -0.288 -0.038 0.658) 0.719 4.530 ( -2.351 -2.633 -2.184) 4.151 4.584 ( -0.158 2.903 0.003) 2.907 4.620 ( 0.357 0.807 0.221) 0.910 4.646 ( 0.411 0.279 0.008) 0.496 4.657 ( 0.223 -1.794 -1.838) 2.578 4.699 ( -2.245 3.086 1.902) 4.264 4.756 ( -1.632 -2.295 0.516) 2.864 4.788 ( -0.703 1.930 0.403) 2.093 4.817 ( -1.333 -1.899 1.968) 3.042 4.830 ( 0.396 -0.933 -0.522) 1.140 4.842 ( 2.673 -0.608 -1.603) 3.175 4.887 ( 0.575 0.120 -1.015) 1.172 4.915 ( 2.560 -1.826 -1.597) 3.527 5.040 ( 0.141 2.476 -0.539) 2.537 5.059 ( 0.980 1.973 0.702) 2.312 5.083 ( 0.861 0.246 2.584) 2.735 5.088 ( -1.331 -1.753 -0.390) 2.236 5.154 ( -1.001 2.004 -2.096) 3.068 5.167 ( 1.161 -0.430 0.326) 1.280 5.177 ( 0.019 1.662 0.455) 1.723 5.208 ( 0.723 -0.939 0.447) 1.267 5.211 ( 1.117 0.807 1.863) 2.317 5.252 ( -0.598 -1.192 -0.063) 1.335 5.339 ( 1.339 -1.181 0.838) 1.972 5.343 ( 3.107 -1.058 -0.820) 3.383 5.412 ( -0.562 6.802 1.221) 6.934 5.462 ( 0.581 4.908 -0.385) 4.958 5.489 ( -0.236 -1.338 -0.099) 1.362 5.539 ( 0.512 -0.553 -0.020) 0.754 5.634 ( -2.666 0.601 0.134) 2.736 5.663 ( -2.704 -1.292 0.933) 3.139 5.742 ( -0.546 0.800 -1.308) 1.628 5.775 ( 1.713 -1.848 -0.496) 2.568 5.851 ( -0.873 1.027 -1.642) 2.124 5.880 ( -1.928 -3.409 0.910) 4.020 5.912 ( -0.059 2.921 -1.439) 3.257 5.963 ( 0.725 -2.289 -2.091) 3.184 6.004 ( -3.504 2.073 2.003) 4.537 6.045 ( -2.842 -1.531 1.292) 3.477 6.104 ( 0.695 0.147 -1.567) 1.720 6.130 ( 0.889 -1.677 -1.221) 2.257 6.235 ( 1.331 1.824 1.246) 2.579 6.255 ( 0.851 0.759 -0.160) 1.152 6.287 ( 0.629 -0.322 0.348) 0.788 6.326 ( 1.101 -1.265 -0.376) 1.719 6.376 ( -0.830 -0.352 0.145) 0.913 6.411 ( 0.554 -2.261 0.029) 2.328 6.455 ( -0.726 0.401 1.827) 2.006 6.494 ( -0.739 -3.045 1.149) 3.338 6.620 ( -0.773 0.861 -0.024) 1.157 6.661 ( 0.397 -2.976 -1.763) 3.481 6.682 ( 0.929 2.070 -0.179) 2.276 6.695 ( 1.057 0.071 -1.158) 1.570 6.783 ( -2.667 0.915 1.012) 2.996 6.831 ( -1.254 -3.625 1.788) 4.232 6.920 ( 1.466 1.575 -0.588) 2.231 6.940 ( 2.103 -0.018 0.605) 2.189 6.963 ( 0.338 3.067 -0.890) 3.212 6.976 ( 0.481 1.668 -0.148) 1.742 7.010 ( 0.168 -0.414 -0.944) 1.045 7.016 ( 0.148 -1.268 -1.183) 1.741 7.127 ( -1.999 3.905 1.394) 4.603 7.167 ( 0.008 0.777 0.073) 0.781 7.191 ( -2.423 -2.566 0.722) 3.602 7.225 ( -0.295 -4.135 -0.573) 4.185 7.232 ( -2.336 0.980 1.401) 2.894 7.278 ( -2.813 -3.235 1.174) 4.445 7.308 ( 0.484 0.697 -1.046) 1.347 7.331 ( -0.779 -1.664 -0.991) 2.088 7.421 ( 0.619 3.397 0.261) 3.463 7.476 ( 1.839 -1.483 -1.114) 2.613 7.488 ( -0.439 1.155 -1.600) 2.021 7.519 ( 1.024 -0.483 0.341) 1.182 7.537 ( 0.540 0.791 1.572) 1.841 7.571 ( 2.043 -2.434 -1.620) 3.567 7.708 ( -0.824 0.381 1.687) 1.915 7.715 ( -1.093 -0.313 3.328) 3.517 7.767 ( 1.306 3.409 -0.184) 3.655 7.819 ( 0.827 -2.067 -1.095) 2.481 7.869 ( 0.050 2.035 0.992) 2.265 7.905 ( 2.646 -0.951 -2.184) 3.560 7.965 ( 0.797 0.424 -0.913) 1.284 7.976 ( 0.601 -0.360 -1.228) 1.414 8.032 ( 0.425 -0.298 -1.469) 1.558 8.041 ( 1.257 -1.584 0.982) 2.249 8.118 ( -0.498 0.832 -0.164) 0.983 8.137 ( 0.446 -1.019 -0.545) 1.238 8.226 ( -0.225 2.342 0.137) 2.357 8.252 ( 1.141 0.110 -0.760) 1.376 8.303 ( -1.578 1.078 3.189) 3.718 8.340 ( -2.210 -1.774 2.136) 3.549 8.398 ( 1.412 3.349 -0.553) 3.677 8.446 ( 1.520 -1.118 -1.066) 2.167 8.515 ( 0.419 0.821 -0.384) 0.998 8.548 ( 1.230 -1.953 -0.119) 2.312 8.613 ( 0.652 -1.077 0.657) 1.420 8.637 ( 1.742 -3.201 -1.066) 3.797 8.788 ( 0.191 0.382 0.273) 0.506 8.793 ( 0.127 -0.028 -0.223) 0.258 9.111 ( -2.219 1.486 1.131) 2.900 9.132 ( -1.170 -0.733 1.511) 2.047 9.242 ( -0.719 1.956 -1.234) 2.423 9.267 ( 0.299 -0.787 -2.357) 2.503 9.321 ( -2.268 0.704 0.919) 2.547 9.328 ( -1.769 0.086 0.609) 1.873 11.503 ( 1.013 0.258 0.069) 1.048 11.508 ( 1.254 -0.264 0.277) 1.311 11.615 ( -0.605 -0.150 -0.175) 0.647 11.620 ( -0.395 -0.588 -0.453) 0.841 11.750 ( -0.937 1.608 0.502) 1.927 11.761 ( -0.643 1.215 -0.330) 1.414 11.779 ( -0.879 -0.890 0.384) 1.308 11.785 ( -0.872 -0.737 -0.318) 1.185 12.137 ( -0.237 0.085 -0.073) 0.262 12.138 ( -0.158 -0.019 -0.005) 0.159 12.158 ( -0.239 0.243 0.274) 0.437 12.162 ( -0.135 -0.153 -0.195) 0.283 14.587 ( -2.221 1.996 -0.382) 3.010 14.620 ( -1.023 -1.497 0.094) 1.816 14.687 ( -1.685 3.930 -0.112) 4.278 14.748 ( 0.890 -1.688 0.574) 1.993 14.834 ( -0.332 -0.220 0.564) 0.690 14.843 ( -1.049 -1.524 -0.660) 1.964 14.880 ( 1.023 1.096 -0.388) 1.548 14.902 ( 0.915 -1.306 0.212) 1.608 15.145 ( -0.808 1.278 -0.015) 1.513 15.165 ( -0.406 -0.253 -0.409) 0.629 15.194 ( 0.247 0.915 0.403) 1.030 15.225 ( 1.156 -1.790 0.163) 2.137 15.460 ( -1.339 2.526 -0.620) 2.925 15.499 ( 0.837 -0.810 0.791) 1.408 15.542 ( 0.107 -0.565 -0.303) 0.650 15.561 ( 0.885 -1.737 0.199) 1.960 16.038 ( -0.876 3.166 1.404) 3.573 16.088 ( 0.937 2.409 -0.972) 2.761 16.104 ( -0.810 -3.303 0.123) 3.403 16.142 ( 0.610 -2.792 -0.617) 2.924 16.431 ( -0.779 0.885 -0.594) 1.320 16.447 ( -0.085 -0.575 -1.607) 1.709 16.514 ( -0.446 -0.807 1.590) 1.838 16.523 ( 0.098 -1.606 0.417) 1.662 16.581 ( 0.321 0.891 1.276) 1.588 16.604 ( 1.360 -1.353 0.442) 1.969 16.787 ( -2.369 2.232 -0.745) 3.339 16.816 ( -1.487 -0.882 -0.835) 1.920 16.965 ( 1.515 3.057 -0.584) 3.461 16.981 ( 2.680 1.920 1.729) 3.723 17.113 ( 0.966 -2.581 -1.231) 3.018 17.116 ( 1.440 -2.224 -0.018) 2.650 18.010 ( 0.471 0.998 0.168) 1.117 18.026 ( 1.210 -0.664 -0.001) 1.380 18.126 ( -0.829 0.560 -0.107) 1.006 18.137 ( -0.399 -0.524 -0.416) 0.779 ======================= Grid point 52 (30/30) ======================= q-point: (-0.17 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.752 ( -0.701 16.040 5.691) 17.035 0.874 ( -0.198 14.003 3.892) 14.535 1.069 ( -0.240 -6.565 4.384) 7.897 1.095 ( -4.034 7.494 -5.780) 10.288 1.176 ( -0.617 -2.100 -3.427) 4.066 1.199 ( 3.449 -1.507 -0.745) 3.837 1.270 ( -0.671 -10.592 -3.071) 11.049 1.345 ( 4.089 -7.912 -4.445) 9.954 1.393 ( 0.760 0.835 -5.589) 5.702 1.425 ( 1.823 -3.264 -0.800) 3.823 1.618 ( -1.756 0.848 -1.895) 2.719 1.633 ( -4.291 -0.445 0.145) 4.316 1.697 ( 0.755 3.943 4.519) 6.045 1.748 ( -0.190 9.958 5.439) 11.348 1.783 ( 2.188 -5.134 4.626) 7.249 1.856 ( 4.445 -0.353 -1.927) 4.858 1.931 ( 1.284 2.883 0.627) 3.217 2.001 ( 1.909 -0.497 -0.257) 1.989 2.010 ( 4.505 -1.497 -0.913) 4.834 2.069 ( 0.327 -4.821 0.838) 4.904 2.078 ( 4.893 1.437 2.154) 5.536 2.096 ( 3.064 0.980 2.023) 3.800 2.180 ( 0.848 0.664 1.378) 1.749 2.200 ( 3.155 -0.683 2.484) 4.073 2.245 ( 1.679 -0.299 2.969) 3.424 2.291 ( -3.805 -3.372 1.349) 5.261 2.331 ( -0.168 2.808 -4.256) 5.102 2.345 ( -0.054 0.127 -1.244) 1.252 2.358 ( -1.700 0.205 -0.756) 1.872 2.381 ( 1.724 -0.609 -2.772) 3.321 2.450 ( -3.503 1.321 -0.105) 3.745 2.484 ( -1.115 -1.211 -1.133) 1.998 2.505 ( -3.020 0.502 0.876) 3.184 2.536 ( -3.407 -2.315 -2.123) 4.634 2.568 ( 0.822 0.662 -2.753) 2.948 2.587 ( -0.762 -0.116 2.135) 2.270 2.610 ( -1.986 -1.540 -1.239) 2.802 2.622 ( 1.760 -1.823 -1.895) 3.165 2.718 ( -0.383 1.005 -1.908) 2.190 2.731 ( -0.488 0.619 -0.490) 0.928 2.799 ( -0.659 3.325 0.011) 3.390 2.824 ( -1.051 0.115 -0.644) 1.238 2.889 ( -0.760 1.868 3.021) 3.632 2.925 ( -0.673 -0.472 1.970) 2.135 2.935 ( -0.106 -1.310 0.979) 1.639 2.941 ( -1.287 -0.957 -1.313) 2.073 3.025 ( 1.914 4.445 -0.418) 4.857 3.078 ( -0.930 -0.881 -0.358) 1.330 3.327 ( 0.302 1.858 2.136) 2.847 3.362 ( 2.572 -1.518 1.300) 3.257 3.411 ( -0.504 2.887 -0.995) 3.095 3.450 ( 0.890 -0.817 -0.268) 1.237 3.671 ( 2.300 1.446 2.080) 3.422 3.707 ( 1.850 -2.367 3.050) 4.281 3.819 ( 1.009 0.743 -1.942) 2.311 3.834 ( -0.863 -0.182 -1.304) 1.574 3.859 ( -0.248 0.445 -0.478) 0.699 3.882 ( 2.271 -2.648 -0.064) 3.489 3.902 ( -0.550 -0.502 -0.012) 0.744 3.926 ( 1.550 -2.829 -0.506) 3.265 3.996 ( 2.042 1.755 -1.226) 2.959 4.001 ( 0.323 0.818 4.109) 4.202 4.030 ( 2.542 -1.645 0.610) 3.089 4.042 ( 2.417 -2.332 1.608) 3.724 4.130 ( -0.238 -0.059 3.251) 3.260 4.143 ( -1.600 -1.437 3.475) 4.086 4.223 ( -0.480 1.586 -2.661) 3.135 4.245 ( 1.428 -1.072 -1.181) 2.141 4.297 ( -2.084 0.408 -2.807) 3.520 4.314 ( 0.134 -2.067 -3.356) 3.944 4.352 ( -1.976 0.161 0.371) 2.017 4.377 ( -0.790 -1.414 0.379) 1.663 4.439 ( -0.948 0.623 0.066) 1.136 4.459 ( -1.155 -2.072 0.635) 2.455 4.483 ( -0.801 1.246 -0.150) 1.489 4.520 ( 0.843 -2.346 0.465) 2.536 4.581 ( 0.513 0.456 -1.826) 1.951 4.594 ( -2.871 -1.030 -1.625) 3.456 4.648 ( 2.036 1.887 1.166) 3.011 4.667 ( 1.800 -0.197 -0.169) 1.819 4.710 ( 1.483 2.954 0.205) 3.312 4.736 ( -1.699 0.513 -0.415) 1.823 4.763 ( -2.912 -1.247 1.818) 3.652 4.799 ( 0.554 -2.493 -1.402) 2.913 4.846 ( 1.102 0.323 -0.445) 1.231 4.873 ( 1.223 -2.160 -0.787) 2.604 4.901 ( 1.189 1.743 -0.315) 2.134 4.937 ( 1.087 -1.408 -1.733) 2.484 5.033 ( -1.294 1.939 0.581) 2.402 5.059 ( -1.186 0.077 0.850) 1.461 5.090 ( 1.345 0.603 -0.606) 1.594 5.112 ( -0.953 0.703 -0.742) 1.398 5.117 ( 0.986 0.269 -3.167) 3.328 5.149 ( -1.930 -1.539 -1.902) 3.116 5.207 ( 3.052 1.706 1.083) 3.661 5.220 ( 0.489 2.187 1.259) 2.571 5.243 ( -0.312 2.240 0.921) 2.442 5.257 ( 1.727 -0.823 0.044) 1.914 5.353 ( -0.247 1.493 2.281) 2.737 5.381 ( 0.817 -1.255 1.200) 1.920 5.438 ( 1.646 4.885 0.212) 5.159 5.460 ( 0.182 4.894 -1.642) 5.165 5.495 ( 0.988 0.867 -0.074) 1.317 5.561 ( 1.993 -1.530 1.807) 3.095 5.607 ( -1.676 0.594 2.822) 3.335 5.627 ( -1.982 -1.641 -0.766) 2.685 5.719 ( -1.402 1.816 1.698) 2.854 5.798 ( -2.153 -2.624 -1.682) 3.788 5.806 ( 0.059 -0.697 1.037) 1.251 5.848 ( -1.681 -4.146 -0.815) 4.547 5.905 ( 0.634 3.066 -0.606) 3.189 5.944 ( -0.903 -1.105 -1.229) 1.883 5.982 ( -1.282 2.743 2.828) 4.143 6.029 ( -0.703 -2.375 2.056) 3.219 6.096 ( -0.083 0.750 -1.817) 1.968 6.126 ( 0.073 -2.011 -2.069) 2.886 6.262 ( 0.887 2.175 -0.245) 2.362 6.265 ( 0.979 0.802 -0.948) 1.581 6.306 ( 0.870 0.641 0.350) 1.136 6.336 ( 1.066 1.250 -2.134) 2.694 6.370 ( -0.871 -0.953 1.422) 1.921 6.400 ( -1.011 -0.026 -0.448) 1.106 6.455 ( -1.574 -2.785 1.665) 3.606 6.481 ( 0.177 -3.703 -1.142) 3.879 6.616 ( -0.034 1.136 1.333) 1.752 6.664 ( 0.550 -3.769 0.755) 3.883 6.697 ( 0.158 2.138 -1.641) 2.700 6.708 ( 3.206 0.773 -2.328) 4.037 6.756 ( -0.978 0.522 0.052) 1.110 6.813 ( -2.053 -4.383 0.904) 4.924 6.934 ( 0.296 2.079 0.144) 2.105 6.961 ( -0.073 2.540 -1.076) 2.760 6.968 ( -0.144 -1.337 0.419) 1.409 6.988 ( 1.027 0.889 -0.132) 1.365 6.997 ( -0.543 -0.170 -1.064) 1.207 7.003 ( -0.602 -1.026 -0.850) 1.462 7.099 ( -1.566 1.686 0.639) 2.388 7.146 ( -2.838 -1.985 1.232) 3.676 7.157 ( -1.095 -0.958 -0.672) 1.602 7.201 ( -1.074 -3.010 -2.035) 3.789 7.231 ( 0.208 0.568 3.587) 3.638 7.263 ( -0.151 -2.177 2.298) 3.169 7.304 ( -0.309 0.794 0.339) 0.917 7.322 ( 0.044 -1.116 0.777) 1.360 7.407 ( -0.918 2.653 -3.408) 4.415 7.455 ( -1.961 -2.146 -3.184) 4.311 7.491 ( 0.772 1.418 0.572) 1.713 7.513 ( -0.296 -0.929 0.534) 1.112 7.607 ( 4.544 1.384 0.781) 4.814 7.617 ( 3.993 -0.230 -1.015) 4.126 7.719 ( -0.396 1.193 3.552) 3.768 7.741 ( 0.528 -0.773 4.557) 4.652 7.773 ( -0.271 1.642 -1.253) 2.083 7.799 ( -1.681 -1.388 -0.745) 2.304 7.879 ( 1.163 2.763 -2.323) 3.793 7.928 ( 2.036 -1.497 -4.811) 5.434 7.961 ( 0.367 0.393 -1.416) 1.515 7.979 ( -0.019 -1.292 -0.012) 1.293 8.052 ( 1.888 0.390 0.464) 1.983 8.066 ( 0.264 -1.195 1.825) 2.198 8.113 ( 0.704 1.704 -1.194) 2.197 8.143 ( 0.951 -1.304 -0.881) 1.839 8.221 ( -0.375 3.881 0.267) 3.908 8.271 ( 0.403 -0.007 1.024) 1.101 8.303 ( -1.989 -1.538 2.982) 3.900 8.311 ( -0.494 -0.869 2.051) 2.282 8.405 ( -0.956 2.548 -0.642) 2.796 8.454 ( -0.090 -2.262 -2.001) 3.021 8.527 ( 0.995 2.085 0.227) 2.321 8.559 ( 0.464 -0.579 -0.220) 0.774 8.645 ( 2.927 -0.387 -0.213) 2.960 8.678 ( 3.186 -3.297 -0.775) 4.650 8.802 ( 0.975 0.296 1.028) 1.448 8.805 ( 0.878 -0.073 0.712) 1.132 9.077 ( -2.496 2.162 1.841) 3.781 9.111 ( -2.377 -1.362 1.909) 3.339 9.209 ( -1.357 2.103 -2.428) 3.487 9.242 ( -1.731 -1.559 -2.169) 3.183 9.289 ( -1.360 0.915 0.631) 1.756 9.301 ( -1.773 -0.312 0.886) 2.007 11.528 ( 1.664 0.403 0.090) 1.715 11.536 ( 1.518 -0.475 0.333) 1.625 11.602 ( -0.856 0.018 -0.013) 0.856 11.607 ( -0.750 -0.508 -0.332) 0.965 11.735 ( -0.893 1.293 0.265) 1.594 11.748 ( -0.539 0.561 0.013) 0.778 11.759 ( -1.171 -0.294 -0.371) 1.263 11.768 ( -0.989 -0.573 0.040) 1.143 12.132 ( -0.185 0.134 -0.002) 0.229 12.134 ( -0.179 -0.091 -0.011) 0.202 12.155 ( -0.261 0.229 0.182) 0.392 12.158 ( -0.142 -0.093 -0.161) 0.234 14.552 ( -1.336 2.133 -0.204) 2.526 14.588 ( -1.863 -1.532 -0.970) 2.600 14.673 ( -0.606 3.741 1.652) 4.134 14.749 ( -1.188 -4.018 0.770) 4.260 14.827 ( 0.308 0.540 -1.880) 1.980 14.833 ( -0.054 -0.197 -0.582) 0.617 14.887 ( 0.276 0.989 -0.796) 1.299 14.904 ( -0.401 -0.785 -0.931) 1.282 15.143 ( 0.098 1.131 1.549) 1.921 15.164 ( 0.285 -0.754 1.355) 1.577 15.206 ( 0.397 1.579 0.631) 1.746 15.238 ( 0.216 -1.614 -0.122) 1.632 15.444 ( -0.211 3.083 0.825) 3.199 15.509 ( -0.082 -3.684 0.122) 3.687 15.552 ( 0.809 0.792 0.367) 1.190 15.575 ( 0.510 -1.554 0.090) 1.638 16.035 ( -0.668 2.917 1.569) 3.379 16.088 ( -0.993 -2.424 0.132) 2.623 16.100 ( 1.209 2.033 -1.090) 2.604 16.143 ( 0.057 -2.211 -0.929) 2.399 16.414 ( -0.537 0.836 -0.608) 1.165 16.434 ( 0.012 -1.009 -1.785) 2.051 16.517 ( -0.594 -1.001 1.977) 2.294 16.526 ( -0.111 -1.894 0.711) 2.027 16.601 ( 0.784 1.391 1.311) 2.066 16.628 ( 0.908 -1.111 0.273) 1.461 16.748 ( -1.199 1.561 -0.805) 2.127 16.777 ( -1.847 -1.408 -1.011) 2.533 17.001 ( 1.967 3.462 0.904) 4.083 17.042 ( 2.648 0.193 2.038) 3.347 17.112 ( 0.761 -0.239 -3.008) 3.112 17.138 ( 0.923 -1.932 -0.642) 2.235 18.026 ( 1.352 1.634 -0.264) 2.137 18.049 ( 1.541 -0.776 -0.561) 1.814 18.106 ( -1.282 0.434 -0.071) 1.355 18.115 ( -1.748 -0.420 -0.510) 1.869 =================== 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 3/20520 10.0 45.228 79.319 54.355 0.000 -12.215 0.000 3/20520 20.0 11.770 19.745 15.334 0.000 -3.166 0.000 3/20520 30.0 6.079 9.693 7.912 0.000 -1.523 0.000 3/20520 40.0 3.888 6.039 5.030 0.000 -0.925 0.000 3/20520 50.0 2.776 4.252 3.576 0.000 -0.634 0.000 3/20520 60.0 2.129 3.234 2.734 0.000 -0.471 0.000 3/20520 70.0 1.715 2.593 2.199 0.000 -0.370 0.000 3/20520 80.0 1.433 2.159 1.834 0.000 -0.303 0.000 3/20520 90.0 1.229 1.848 1.573 0.000 -0.256 0.000 3/20520 100.0 1.077 1.616 1.377 0.000 -0.222 0.000 3/20520 110.0 0.958 1.436 1.225 0.000 -0.195 0.000 3/20520 120.0 0.864 1.293 1.104 0.000 -0.175 0.000 3/20520 130.0 0.786 1.177 1.005 0.000 -0.158 0.000 3/20520 140.0 0.722 1.080 0.923 0.000 -0.144 0.000 3/20520 150.0 0.668 0.998 0.854 0.000 -0.133 0.000 3/20520 160.0 0.622 0.929 0.795 0.000 -0.123 0.000 3/20520 170.0 0.582 0.869 0.743 0.000 -0.115 0.000 3/20520 180.0 0.547 0.816 0.698 0.000 -0.107 0.000 3/20520 190.0 0.516 0.770 0.659 0.000 -0.101 0.000 3/20520 200.0 0.488 0.728 0.624 0.000 -0.095 0.000 3/20520 210.0 0.463 0.691 0.592 0.000 -0.090 0.000 3/20520 220.0 0.441 0.658 0.564 0.000 -0.086 0.000 3/20520 230.0 0.421 0.628 0.538 0.000 -0.082 0.000 3/20520 240.0 0.403 0.601 0.514 0.000 -0.078 0.000 3/20520 250.0 0.386 0.576 0.493 0.000 -0.075 0.000 3/20520 260.0 0.371 0.553 0.473 0.000 -0.072 0.000 3/20520 270.0 0.356 0.532 0.455 0.000 -0.069 0.000 3/20520 280.0 0.343 0.512 0.439 0.000 -0.066 0.000 3/20520 290.0 0.331 0.494 0.423 0.000 -0.064 0.000 3/20520 300.0 0.320 0.477 0.409 0.000 -0.061 0.000 3/20520 310.0 0.309 0.461 0.395 0.000 -0.059 0.000 3/20520 320.0 0.300 0.447 0.382 0.000 -0.057 0.000 3/20520 330.0 0.290 0.433 0.371 0.000 -0.056 0.000 3/20520 340.0 0.282 0.420 0.360 0.000 -0.054 0.000 3/20520 350.0 0.273 0.408 0.349 0.000 -0.052 0.000 3/20520 360.0 0.266 0.396 0.339 0.000 -0.051 0.000 3/20520 370.0 0.258 0.385 0.330 0.000 -0.049 0.000 3/20520 380.0 0.252 0.375 0.321 0.000 -0.048 0.000 3/20520 390.0 0.245 0.365 0.313 0.000 -0.047 0.000 3/20520 400.0 0.239 0.356 0.305 0.000 -0.045 0.000 3/20520 410.0 0.233 0.347 0.297 0.000 -0.044 0.000 3/20520 420.0 0.227 0.339 0.290 0.000 -0.043 0.000 3/20520 430.0 0.222 0.331 0.284 0.000 -0.042 0.000 3/20520 440.0 0.217 0.324 0.277 0.000 -0.041 0.000 3/20520 450.0 0.212 0.316 0.271 0.000 -0.040 0.000 3/20520 460.0 0.208 0.310 0.265 0.000 -0.039 0.000 3/20520 470.0 0.203 0.303 0.259 0.000 -0.039 0.000 3/20520 480.0 0.199 0.297 0.254 0.000 -0.038 0.000 3/20520 490.0 0.195 0.291 0.249 0.000 -0.037 0.000 3/20520 500.0 0.191 0.285 0.244 0.000 -0.036 0.000 3/20520 510.0 0.187 0.279 0.239 0.000 -0.035 0.000 3/20520 520.0 0.183 0.274 0.234 0.000 -0.035 0.000 3/20520 530.0 0.180 0.269 0.230 0.000 -0.034 0.000 3/20520 540.0 0.177 0.264 0.226 0.000 -0.033 0.000 3/20520 550.0 0.173 0.259 0.221 0.000 -0.033 0.000 3/20520 560.0 0.170 0.254 0.217 0.000 -0.032 0.000 3/20520 570.0 0.167 0.250 0.214 0.000 -0.032 0.000 3/20520 580.0 0.164 0.245 0.210 0.000 -0.031 0.000 3/20520 590.0 0.162 0.241 0.206 0.000 -0.031 0.000 3/20520 600.0 0.159 0.237 0.203 0.000 -0.030 0.000 3/20520 610.0 0.156 0.233 0.200 0.000 -0.030 0.000 3/20520 620.0 0.154 0.230 0.196 0.000 -0.029 0.000 3/20520 630.0 0.151 0.226 0.193 0.000 -0.029 0.000 3/20520 640.0 0.149 0.222 0.190 0.000 -0.028 0.000 3/20520 650.0 0.147 0.219 0.187 0.000 -0.028 0.000 3/20520 660.0 0.145 0.216 0.185 0.000 -0.027 0.000 3/20520 670.0 0.142 0.213 0.182 0.000 -0.027 0.000 3/20520 680.0 0.140 0.209 0.179 0.000 -0.026 0.000 3/20520 690.0 0.138 0.206 0.176 0.000 -0.026 0.000 3/20520 700.0 0.136 0.203 0.174 0.000 -0.026 0.000 3/20520 710.0 0.134 0.201 0.172 0.000 -0.025 0.000 3/20520 720.0 0.133 0.198 0.169 0.000 -0.025 0.000 3/20520 730.0 0.131 0.195 0.167 0.000 -0.025 0.000 3/20520 740.0 0.129 0.193 0.165 0.000 -0.024 0.000 3/20520 750.0 0.127 0.190 0.162 0.000 -0.024 0.000 3/20520 760.0 0.126 0.187 0.160 0.000 -0.024 0.000 3/20520 770.0 0.124 0.185 0.158 0.000 -0.023 0.000 3/20520 780.0 0.122 0.183 0.156 0.000 -0.023 0.000 3/20520 790.0 0.121 0.180 0.154 0.000 -0.023 0.000 3/20520 800.0 0.119 0.178 0.152 0.000 -0.022 0.000 3/20520 810.0 0.118 0.176 0.150 0.000 -0.022 0.000 3/20520 820.0 0.116 0.174 0.149 0.000 -0.022 0.000 3/20520 830.0 0.115 0.172 0.147 0.000 -0.022 0.000 3/20520 840.0 0.114 0.170 0.145 0.000 -0.021 0.000 3/20520 850.0 0.112 0.168 0.143 0.000 -0.021 0.000 3/20520 860.0 0.111 0.166 0.142 0.000 -0.021 0.000 3/20520 870.0 0.110 0.164 0.140 0.000 -0.021 0.000 3/20520 880.0 0.108 0.162 0.138 0.000 -0.020 0.000 3/20520 890.0 0.107 0.160 0.137 0.000 -0.020 0.000 3/20520 900.0 0.106 0.158 0.135 0.000 -0.020 0.000 3/20520 910.0 0.105 0.157 0.134 0.000 -0.020 0.000 3/20520 920.0 0.104 0.155 0.132 0.000 -0.020 0.000 3/20520 930.0 0.103 0.153 0.131 0.000 -0.019 0.000 3/20520 940.0 0.102 0.152 0.130 0.000 -0.019 0.000 3/20520 950.0 0.101 0.150 0.128 0.000 -0.019 0.000 3/20520 960.0 0.099 0.149 0.127 0.000 -0.019 0.000 3/20520 970.0 0.098 0.147 0.126 0.000 -0.019 0.000 3/20520 980.0 0.097 0.146 0.124 0.000 -0.018 0.000 3/20520 990.0 0.096 0.144 0.123 0.000 -0.018 0.000 3/20520 1000.0 0.095 0.143 0.122 0.000 -0.018 0.000 3/20520 Thermal conductivity related properties were written into "kappa-m653.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:07:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|