----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 00:05:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2/m (10) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.842220840639989 0.000000000000000 0.000000000000000 b 0.000000000000000 6.063172630000000 0.000000000000000 c -3.717574170268873 0.000000000000000 9.743129815590089 Atomic positions (fractional): *1 Mg 0.73395336708035 0.74684666457230 0.99470916710479 24.305 *2 Mg 0.26494573350700 0.50000000000000 0.75383394850384 24.305 3 Mg 0.73395336708035 0.25315333542770 0.99470916710479 24.305 *4 Mg 0.72896995890652 0.00000000000000 0.74171359197784 24.305 *5 Mg 0.25557926379150 0.75884584786302 0.50434538493651 24.305 *6 Mg 0.00119917592373 0.75948966984723 0.73952870105713 24.305 7 Mg 0.74442073620850 0.75884584786302 0.49565461506349 24.305 8 Mg 0.27103004109348 0.00000000000000 0.25828640802216 24.305 9 Mg 0.00119917592373 0.24051033015277 0.73952870105713 24.305 10 Mg 0.25557926379150 0.24115415213698 0.50434538493651 24.305 11 Mg 0.74442073620850 0.24115415213698 0.49565461506349 24.305 12 Mg 0.99880082407627 0.75948966984723 0.26047129894287 24.305 13 Mg 0.73505426649300 0.50000000000000 0.24616605149616 24.305 14 Mg 0.26604663291964 0.74684666457230 0.00529083289521 24.305 15 Mg 0.26604663291964 0.25315333542770 0.00529083289521 24.305 16 Mg 0.99880082407627 0.24051033015277 0.26047129894287 24.305 *17 Mg 0.00000000000000 0.50000000000000 0.00000000000000 24.305 *18 As 0.42152319005944 0.00000000000000 0.80760659157193 74.922 *19 As 0.57534395018482 0.50000000000000 0.68861999938138 74.922 20 As 0.42465604981518 0.50000000000000 0.31138000061862 74.922 21 As 0.57847680994055 0.00000000000000 0.19239340842807 74.922 *22 As 0.00000000000000 0.50000000000000 0.50000000000000 74.922 *23 As 0.00000000000000 0.00000000000000 0.00000000000000 74.922 *24 O 0.11599932947613 0.00000000000000 0.89213733300471 15.999 *25 O 0.61060394575003 0.00000000000000 0.87186818802177 15.999 *26 O 0.36803902988990 0.76981136280672 0.86714969251951 15.999 *27 O 0.13373463484556 0.50000000000000 0.87972003299592 15.999 *28 O 0.88353448510018 0.78295882778850 0.89044259431786 15.999 *29 O 0.36989198607610 0.00000000000000 0.63612024525574 15.999 *30 O 0.63233568671005 0.50000000000000 0.86277210118977 15.999 31 O 0.36803902988990 0.23018863719328 0.86714969251951 15.999 *32 O 0.11977731052951 0.70794295529611 0.61422239260685 15.999 *33 O 0.38766766684775 0.50000000000000 0.62818672432136 15.999 34 O 0.88353448510018 0.21704117221150 0.89044259431786 15.999 35 O 0.11977731052951 0.29205704470389 0.61422239260685 15.999 *36 O 0.14259167638484 0.00000000000000 0.36814245706017 15.999 37 O 0.85740832361516 0.00000000000000 0.63185754293983 15.999 *38 O 0.63152179441693 0.72951762891608 0.63208867873416 15.999 *39 O 0.11591431097203 0.50000000000000 0.39058607357621 15.999 40 O 0.63152179441693 0.27048237108392 0.63208867873416 15.999 41 O 0.63010801392390 0.00000000000000 0.36387975474426 15.999 42 O 0.36847820558307 0.72951762891608 0.36791132126584 15.999 43 O 0.88408568902797 0.50000000000000 0.60941392642379 15.999 44 O 0.61233233315225 0.50000000000000 0.37181327567864 15.999 45 O 0.11646551489982 0.78295882778850 0.10955740568214 15.999 46 O 0.88022268947049 0.70794295529611 0.38577760739315 15.999 47 O 0.36847820558307 0.27048237108392 0.36791132126584 15.999 48 O 0.38939605424997 0.00000000000000 0.12813181197823 15.999 49 O 0.88022268947049 0.29205704470389 0.38577760739315 15.999 50 O 0.36766431328995 0.50000000000000 0.13722789881023 15.999 51 O 0.63196097011010 0.76981136280672 0.13285030748049 15.999 52 O 0.11646551489982 0.21704117221150 0.10955740568214 15.999 53 O 0.88400067052387 0.00000000000000 0.10786266699529 15.999 54 O 0.86626536515444 0.50000000000000 0.12027996700408 15.999 55 O 0.63196097011010 0.23018863719328 0.13285030748049 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.842220840639989 0.000000000000000 0.000000000000000 b 0.000000000000000 6.063172630000000 0.000000000000000 c -3.717574170268873 0.000000000000000 9.743129815590089 Atomic positions (fractional): *1 Mg 0.73395336708035 0.74684666457230 0.99470916710479 24.305 > 1 *2 Mg 0.26494573350700 0.50000000000000 0.75383394850384 24.305 > 2 3 Mg 0.73395336708035 0.25315333542770 0.99470916710479 24.305 > 3 *4 Mg 0.72896995890652 0.00000000000000 0.74171359197784 24.305 > 4 *5 Mg 0.25557926379150 0.75884584786302 0.50434538493651 24.305 > 5 *6 Mg 0.00119917592373 0.75948966984723 0.73952870105713 24.305 > 6 7 Mg 0.74442073620850 0.75884584786302 0.49565461506349 24.305 > 7 8 Mg 0.27103004109348 0.00000000000000 0.25828640802216 24.305 > 8 9 Mg 0.00119917592373 0.24051033015277 0.73952870105713 24.305 > 9 10 Mg 0.25557926379150 0.24115415213698 0.50434538493651 24.305 > 10 11 Mg 0.74442073620850 0.24115415213698 0.49565461506349 24.305 > 11 12 Mg 0.99880082407627 0.75948966984723 0.26047129894287 24.305 > 12 13 Mg 0.73505426649300 0.50000000000000 0.24616605149616 24.305 > 13 14 Mg 0.26604663291964 0.74684666457230 0.00529083289521 24.305 > 14 15 Mg 0.26604663291964 0.25315333542770 0.00529083289521 24.305 > 15 16 Mg 0.99880082407627 0.24051033015277 0.26047129894287 24.305 > 16 *17 Mg 0.00000000000000 0.50000000000000 0.00000000000000 24.305 > 17 *18 As 0.42152319005944 0.00000000000000 0.80760659157193 74.922 > 18 *19 As 0.57534395018482 0.50000000000000 0.68861999938138 74.922 > 19 20 As 0.42465604981518 0.50000000000000 0.31138000061862 74.922 > 20 21 As 0.57847680994055 0.00000000000000 0.19239340842807 74.922 > 21 *22 As 0.00000000000000 0.50000000000000 0.50000000000000 74.922 > 22 *23 As 0.00000000000000 0.00000000000000 0.00000000000000 74.922 > 23 *24 O 0.11599932947613 0.00000000000000 0.89213733300471 15.999 > 24 *25 O 0.61060394575003 0.00000000000000 0.87186818802177 15.999 > 25 *26 O 0.36803902988990 0.76981136280672 0.86714969251951 15.999 > 26 *27 O 0.13373463484556 0.50000000000000 0.87972003299592 15.999 > 27 *28 O 0.88353448510018 0.78295882778850 0.89044259431786 15.999 > 28 *29 O 0.36989198607610 0.00000000000000 0.63612024525574 15.999 > 29 *30 O 0.63233568671005 0.50000000000000 0.86277210118977 15.999 > 30 31 O 0.36803902988990 0.23018863719328 0.86714969251951 15.999 > 31 *32 O 0.11977731052951 0.70794295529611 0.61422239260685 15.999 > 32 *33 O 0.38766766684775 0.50000000000000 0.62818672432136 15.999 > 33 34 O 0.88353448510018 0.21704117221150 0.89044259431786 15.999 > 34 35 O 0.11977731052951 0.29205704470389 0.61422239260685 15.999 > 35 *36 O 0.14259167638484 0.00000000000000 0.36814245706017 15.999 > 36 37 O 0.85740832361516 0.00000000000000 0.63185754293983 15.999 > 37 *38 O 0.63152179441693 0.72951762891608 0.63208867873416 15.999 > 38 *39 O 0.11591431097203 0.50000000000000 0.39058607357621 15.999 > 39 40 O 0.63152179441693 0.27048237108392 0.63208867873416 15.999 > 40 41 O 0.63010801392390 0.00000000000000 0.36387975474426 15.999 > 41 42 O 0.36847820558307 0.72951762891608 0.36791132126584 15.999 > 42 43 O 0.88408568902797 0.50000000000000 0.60941392642379 15.999 > 43 44 O 0.61233233315225 0.50000000000000 0.37181327567864 15.999 > 44 45 O 0.11646551489982 0.78295882778850 0.10955740568214 15.999 > 45 46 O 0.88022268947049 0.70794295529611 0.38577760739315 15.999 > 46 47 O 0.36847820558307 0.27048237108392 0.36791132126584 15.999 > 47 48 O 0.38939605424997 0.00000000000000 0.12813181197823 15.999 > 48 49 O 0.88022268947049 0.29205704470389 0.38577760739315 15.999 > 49 50 O 0.36766431328995 0.50000000000000 0.13722789881023 15.999 > 50 51 O 0.63196097011010 0.76981136280672 0.13285030748049 15.999 > 51 52 O 0.11646551489982 0.21704117221150 0.10955740568214 15.999 > 52 53 O 0.88400067052387 0.00000000000000 0.10786266699529 15.999 > 53 54 O 0.86626536515444 0.50000000000000 0.12027996700408 15.999 > 54 55 O 0.63196097011010 0.23018863719328 0.13285030748049 15.999 > 55 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.842220840639989 0.000000000000000 0.000000000000000 b 0.000000000000000 12.126345260000001 0.000000000000000 c -3.717574170268873 0.000000000000000 9.743129815590089 Atomic positions (fractional): *1 Mg 0.73395336708035 0.37342333228615 0.99470916710479 24.305 > 1 2 Mg 0.73395336708035 0.87342333228615 0.99470916710479 24.305 > 1 *3 Mg 0.26494573350700 0.25000000000000 0.75383394850384 24.305 > 2 4 Mg 0.26494573350700 0.75000000000000 0.75383394850384 24.305 > 2 5 Mg 0.73395336708035 0.12657666771385 0.99470916710479 24.305 > 3 6 Mg 0.73395336708035 0.62657666771385 0.99470916710479 24.305 > 3 *7 Mg 0.72896995890652 0.00000000000000 0.74171359197784 24.305 > 4 8 Mg 0.72896995890652 0.50000000000000 0.74171359197784 24.305 > 4 *9 Mg 0.25557926379150 0.37942292393151 0.50434538493651 24.305 > 5 10 Mg 0.25557926379150 0.87942292393151 0.50434538493651 24.305 > 5 *11 Mg 0.00119917592373 0.37974483492361 0.73952870105713 24.305 > 6 12 Mg 0.00119917592373 0.87974483492361 0.73952870105713 24.305 > 6 13 Mg 0.74442073620850 0.37942292393151 0.49565461506349 24.305 > 7 14 Mg 0.74442073620850 0.87942292393151 0.49565461506349 24.305 > 7 15 Mg 0.27103004109348 0.00000000000000 0.25828640802216 24.305 > 8 16 Mg 0.27103004109348 0.50000000000000 0.25828640802216 24.305 > 8 17 Mg 0.00119917592373 0.12025516507639 0.73952870105713 24.305 > 9 18 Mg 0.00119917592373 0.62025516507639 0.73952870105713 24.305 > 9 19 Mg 0.25557926379150 0.12057707606849 0.50434538493651 24.305 > 10 20 Mg 0.25557926379150 0.62057707606849 0.50434538493651 24.305 > 10 21 Mg 0.74442073620850 0.12057707606849 0.49565461506349 24.305 > 11 22 Mg 0.74442073620850 0.62057707606849 0.49565461506349 24.305 > 11 23 Mg 0.99880082407627 0.37974483492361 0.26047129894287 24.305 > 12 24 Mg 0.99880082407627 0.87974483492361 0.26047129894287 24.305 > 12 25 Mg 0.73505426649300 0.25000000000000 0.24616605149616 24.305 > 13 26 Mg 0.73505426649300 0.75000000000000 0.24616605149616 24.305 > 13 27 Mg 0.26604663291964 0.37342333228615 0.00529083289521 24.305 > 14 28 Mg 0.26604663291964 0.87342333228615 0.00529083289521 24.305 > 14 29 Mg 0.26604663291964 0.12657666771385 0.00529083289521 24.305 > 15 30 Mg 0.26604663291964 0.62657666771385 0.00529083289521 24.305 > 15 31 Mg 0.99880082407627 0.12025516507639 0.26047129894287 24.305 > 16 32 Mg 0.99880082407627 0.62025516507639 0.26047129894287 24.305 > 16 *33 Mg 0.00000000000000 0.25000000000000 0.00000000000000 24.305 > 17 34 Mg 0.00000000000000 0.75000000000000 0.00000000000000 24.305 > 17 *35 As 0.42152319005944 0.00000000000000 0.80760659157193 74.922 > 18 36 As 0.42152319005944 0.50000000000000 0.80760659157193 74.922 > 18 *37 As 0.57534395018482 0.25000000000000 0.68861999938138 74.922 > 19 38 As 0.57534395018482 0.75000000000000 0.68861999938138 74.922 > 19 39 As 0.42465604981518 0.25000000000000 0.31138000061862 74.922 > 20 40 As 0.42465604981518 0.75000000000000 0.31138000061862 74.922 > 20 41 As 0.57847680994055 0.00000000000000 0.19239340842807 74.922 > 21 42 As 0.57847680994055 0.50000000000000 0.19239340842807 74.922 > 21 *43 As 0.00000000000000 0.25000000000000 0.50000000000000 74.922 > 22 44 As 0.00000000000000 0.75000000000000 0.50000000000000 74.922 > 22 *45 As 0.00000000000000 0.00000000000000 0.00000000000000 74.922 > 23 46 As 0.00000000000000 0.50000000000000 0.00000000000000 74.922 > 23 *47 O 0.11599932947613 0.00000000000000 0.89213733300471 15.999 > 24 48 O 0.11599932947613 0.50000000000000 0.89213733300471 15.999 > 24 *49 O 0.61060394575003 0.00000000000000 0.87186818802177 15.999 > 25 50 O 0.61060394575003 0.50000000000000 0.87186818802177 15.999 > 25 *51 O 0.36803902988990 0.38490568140336 0.86714969251951 15.999 > 26 52 O 0.36803902988990 0.88490568140336 0.86714969251951 15.999 > 26 *53 O 0.13373463484556 0.25000000000000 0.87972003299592 15.999 > 27 54 O 0.13373463484556 0.75000000000000 0.87972003299592 15.999 > 27 *55 O 0.88353448510018 0.39147941389425 0.89044259431786 15.999 > 28 56 O 0.88353448510018 0.89147941389425 0.89044259431786 15.999 > 28 *57 O 0.36989198607610 0.00000000000000 0.63612024525574 15.999 > 29 58 O 0.36989198607610 0.50000000000000 0.63612024525574 15.999 > 29 *59 O 0.63233568671005 0.25000000000000 0.86277210118977 15.999 > 30 60 O 0.63233568671005 0.75000000000000 0.86277210118977 15.999 > 30 61 O 0.36803902988990 0.11509431859664 0.86714969251951 15.999 > 31 62 O 0.36803902988990 0.61509431859664 0.86714969251951 15.999 > 31 *63 O 0.11977731052951 0.35397147764805 0.61422239260685 15.999 > 32 64 O 0.11977731052951 0.85397147764805 0.61422239260685 15.999 > 32 *65 O 0.38766766684775 0.25000000000000 0.62818672432136 15.999 > 33 66 O 0.38766766684775 0.75000000000000 0.62818672432136 15.999 > 33 67 O 0.88353448510018 0.10852058610575 0.89044259431786 15.999 > 34 68 O 0.88353448510018 0.60852058610575 0.89044259431786 15.999 > 34 69 O 0.11977731052951 0.14602852235195 0.61422239260685 15.999 > 35 70 O 0.11977731052951 0.64602852235195 0.61422239260685 15.999 > 35 *71 O 0.14259167638484 0.00000000000000 0.36814245706017 15.999 > 36 72 O 0.14259167638484 0.50000000000000 0.36814245706017 15.999 > 36 73 O 0.85740832361516 0.00000000000000 0.63185754293983 15.999 > 37 74 O 0.85740832361516 0.50000000000000 0.63185754293983 15.999 > 37 *75 O 0.63152179441693 0.36475881445804 0.63208867873416 15.999 > 38 76 O 0.63152179441693 0.86475881445804 0.63208867873416 15.999 > 38 *77 O 0.11591431097203 0.25000000000000 0.39058607357621 15.999 > 39 78 O 0.11591431097203 0.75000000000000 0.39058607357621 15.999 > 39 79 O 0.63152179441693 0.13524118554196 0.63208867873416 15.999 > 40 80 O 0.63152179441693 0.63524118554196 0.63208867873416 15.999 > 40 81 O 0.63010801392390 0.00000000000000 0.36387975474426 15.999 > 41 82 O 0.63010801392390 0.50000000000000 0.36387975474426 15.999 > 41 83 O 0.36847820558307 0.36475881445804 0.36791132126584 15.999 > 42 84 O 0.36847820558307 0.86475881445804 0.36791132126584 15.999 > 42 85 O 0.88408568902797 0.25000000000000 0.60941392642379 15.999 > 43 86 O 0.88408568902797 0.75000000000000 0.60941392642379 15.999 > 43 87 O 0.61233233315225 0.25000000000000 0.37181327567864 15.999 > 44 88 O 0.61233233315225 0.75000000000000 0.37181327567864 15.999 > 44 89 O 0.11646551489982 0.39147941389425 0.10955740568214 15.999 > 45 90 O 0.11646551489982 0.89147941389425 0.10955740568214 15.999 > 45 91 O 0.88022268947049 0.35397147764805 0.38577760739315 15.999 > 46 92 O 0.88022268947049 0.85397147764805 0.38577760739315 15.999 > 46 93 O 0.36847820558307 0.13524118554196 0.36791132126584 15.999 > 47 94 O 0.36847820558307 0.63524118554196 0.36791132126584 15.999 > 47 95 O 0.38939605424997 0.00000000000000 0.12813181197823 15.999 > 48 96 O 0.38939605424997 0.50000000000000 0.12813181197823 15.999 > 48 97 O 0.88022268947049 0.14602852235195 0.38577760739315 15.999 > 49 98 O 0.88022268947049 0.64602852235195 0.38577760739315 15.999 > 49 99 O 0.36766431328995 0.25000000000000 0.13722789881023 15.999 > 50 100 O 0.36766431328995 0.75000000000000 0.13722789881023 15.999 > 50 101 O 0.63196097011010 0.38490568140336 0.13285030748049 15.999 > 51 102 O 0.63196097011010 0.88490568140336 0.13285030748049 15.999 > 51 103 O 0.11646551489982 0.10852058610575 0.10955740568214 15.999 > 52 104 O 0.11646551489982 0.60852058610575 0.10955740568214 15.999 > 52 105 O 0.88400067052387 0.00000000000000 0.10786266699529 15.999 > 53 106 O 0.88400067052387 0.50000000000000 0.10786266699529 15.999 > 53 107 O 0.86626536515444 0.25000000000000 0.12027996700408 15.999 > 54 108 O 0.86626536515444 0.75000000000000 0.12027996700408 15.999 > 54 109 O 0.63196097011010 0.11509431859664 0.13285030748049 15.999 > 55 110 O 0.63196097011010 0.61509431859664 0.13285030748049 15.999 > 55 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2574872 0.0000000 0.0320498 0.0000000 3.1870771 0.0000000 0.0320489 0.0000000 3.2130130 -------------------------- Born effective charges -------------------------- 1 Mg 2.1859802 -0.0751130 0.0667175 -0.0752094 2.0200647 0.0554412 0.0599324 0.0516557 2.1178512 2 Mg 2.2211325 -0.0000000 0.0022273 0.0000000 2.0562076 -0.0000000 0.0265011 -0.0000000 1.9249942 3 Mg 2.1859802 0.0751130 0.0667175 0.0752094 2.0200647 -0.0554412 0.0599324 -0.0516557 2.1178512 4 Mg 2.1367890 -0.0000000 0.1091068 0.0000000 2.1714313 -0.0000000 0.0917476 -0.0000000 1.9102402 5 Mg 2.1626533 -0.0202305 0.0127627 -0.0165429 2.0504188 0.0149695 0.0549768 0.0258420 2.1876128 6 Mg 1.7901688 -0.3666455 -0.0677473 -0.2937978 2.0351920 0.2218039 -0.1225254 0.2063937 2.2776697 7 Mg 2.1626533 0.0202305 0.0127627 0.0165429 2.0504188 -0.0149695 0.0549768 -0.0258420 2.1876128 8 Mg 2.1367890 -0.0000000 0.1091068 0.0000000 2.1714313 -0.0000000 0.0917476 -0.0000000 1.9102402 9 Mg 1.7901688 0.3666455 -0.0677473 0.2937978 2.0351920 -0.2218039 -0.1225254 -0.2063937 2.2776697 10 Mg 2.1626533 0.0202305 0.0127627 0.0165429 2.0504188 -0.0149695 0.0549768 -0.0258420 2.1876128 11 Mg 2.1626533 -0.0202305 0.0127627 -0.0165429 2.0504188 0.0149695 0.0549768 0.0258420 2.1876128 12 Mg 1.7901688 0.3666455 -0.0677473 0.2937978 2.0351920 -0.2218039 -0.1225254 -0.2063937 2.2776697 13 Mg 2.2211325 -0.0000000 0.0022273 0.0000000 2.0562076 -0.0000000 0.0265011 -0.0000000 1.9249942 14 Mg 2.1859802 0.0751130 0.0667175 0.0752094 2.0200647 -0.0554412 0.0599324 -0.0516557 2.1178512 15 Mg 2.1859802 -0.0751130 0.0667175 -0.0752094 2.0200647 0.0554412 0.0599324 0.0516557 2.1178512 16 Mg 1.7901688 -0.3666455 -0.0677473 -0.2937978 2.0351920 0.2218039 -0.1225254 0.2063937 2.2776697 17 Mg 1.9142378 -0.0000000 -0.2383641 0.0000000 2.4923702 -0.0000000 -0.1681273 -0.0000000 1.6629398 18 As 3.5287640 -0.0000000 0.0273727 0.0000000 3.3289082 -0.0000000 0.0791509 -0.0000000 3.2877900 19 As 3.4263615 -0.0000000 0.0982416 0.0000000 3.2482574 -0.0000000 0.0862820 -0.0000000 3.3389710 20 As 3.4263615 -0.0000000 0.0982416 0.0000000 3.2482574 -0.0000000 0.0862820 -0.0000000 3.3389710 21 As 3.5287640 -0.0000000 0.0273727 0.0000000 3.3289082 -0.0000000 0.0791509 -0.0000000 3.2877900 22 As 4.0753623 -0.0000000 0.0354232 0.0000000 3.5315197 -0.0000000 0.0474617 -0.0000000 4.2760704 23 As 3.8900677 -0.0000000 -0.0125466 0.0000000 3.9632311 -0.0000000 -0.0593487 -0.0000000 3.9004036 24 O -2.0204988 -0.0000000 0.1474840 0.0000000 -1.7116772 -0.0000000 0.2207629 -0.0000000 -1.8910319 25 O -2.4722865 -0.0000000 -0.4095318 0.0000000 -1.3721026 -0.0000000 -0.4325123 -0.0000000 -1.5349625 26 O -1.6290063 -0.4618141 0.2452851 -0.5090351 -1.9101920 0.0512917 0.2635219 0.0710633 -1.4691743 27 O -1.8337355 -0.0000000 0.0812239 0.0000000 -2.0353555 -0.0000000 0.0850506 -0.0000000 -2.0193467 28 O -1.8005786 -0.0813364 -0.1014528 -0.1195758 -1.9426035 -0.1576426 -0.1090567 -0.1542223 -1.8131410 29 O -1.1438011 -0.0000000 -0.0874813 0.0000000 -1.5077168 -0.0000000 -0.1849027 -0.0000000 -2.2050579 30 O -1.2006993 -0.0000000 -0.1431219 0.0000000 -1.5314283 -0.0000000 -0.2054259 -0.0000000 -2.3506657 31 O -1.6290063 0.4618141 0.2452851 0.5090351 -1.9101920 -0.0512917 0.2635219 -0.0710633 -1.4691743 32 O -1.8445157 -0.1327649 -0.0750446 -0.2065919 -1.6432364 -0.3483579 -0.1004977 -0.2699698 -1.8820755 33 O -2.4496603 -0.0000000 -0.3660702 0.0000000 -1.3572809 -0.0000000 -0.4090869 -0.0000000 -1.4951391 34 O -1.8005786 0.0813364 -0.1014528 0.1195758 -1.9426035 0.1576426 -0.1090567 0.1542223 -1.8131410 35 O -1.8445157 0.1327649 -0.0750446 0.2065919 -1.6432364 0.3483579 -0.1004977 0.2699698 -1.8820755 36 O -1.6514442 -0.0000000 -0.1262068 0.0000000 -2.0667550 -0.0000000 -0.1147023 -0.0000000 -1.9268372 37 O -1.6514442 -0.0000000 -0.1262068 0.0000000 -2.0667550 -0.0000000 -0.1147023 -0.0000000 -1.9268372 38 O -1.5721177 -0.4087254 0.2112595 -0.4707992 -1.8822282 0.0187584 0.2591739 0.0515527 -1.4258263 39 O -2.0659237 -0.0000000 0.1909392 0.0000000 -1.6708792 -0.0000000 0.2360919 -0.0000000 -1.9444946 40 O -1.5721177 0.4087254 0.2112595 0.4707992 -1.8822282 -0.0187584 0.2591739 -0.0515527 -1.4258263 41 O -1.1438011 -0.0000000 -0.0874813 0.0000000 -1.5077168 -0.0000000 -0.1849027 -0.0000000 -2.2050579 42 O -1.5721177 0.4087254 0.2112595 0.4707992 -1.8822282 -0.0187584 0.2591739 -0.0515527 -1.4258263 43 O -2.0659237 -0.0000000 0.1909392 0.0000000 -1.6708792 -0.0000000 0.2360919 -0.0000000 -1.9444946 44 O -2.4496603 -0.0000000 -0.3660702 0.0000000 -1.3572809 -0.0000000 -0.4090869 -0.0000000 -1.4951391 45 O -1.8005786 0.0813364 -0.1014528 0.1195758 -1.9426035 0.1576426 -0.1090567 0.1542223 -1.8131410 46 O -1.8445157 0.1327649 -0.0750446 0.2065919 -1.6432364 0.3483579 -0.1004977 0.2699698 -1.8820755 47 O -1.5721177 -0.4087254 0.2112595 -0.4707992 -1.8822282 0.0187584 0.2591739 0.0515527 -1.4258263 48 O -2.4722865 -0.0000000 -0.4095318 0.0000000 -1.3721026 -0.0000000 -0.4325123 -0.0000000 -1.5349625 49 O -1.8445157 -0.1327649 -0.0750446 -0.2065919 -1.6432364 -0.3483579 -0.1004977 -0.2699698 -1.8820755 50 O -1.2006993 -0.0000000 -0.1431219 0.0000000 -1.5314283 -0.0000000 -0.2054259 -0.0000000 -2.3506657 51 O -1.6290063 0.4618141 0.2452851 0.5090351 -1.9101920 -0.0512917 0.2635219 -0.0710633 -1.4691743 52 O -1.8005786 -0.0813364 -0.1014528 -0.1195758 -1.9426035 -0.1576426 -0.1090567 -0.1542223 -1.8131410 53 O -2.0204988 -0.0000000 0.1474840 0.0000000 -1.7116772 -0.0000000 0.2207629 -0.0000000 -1.8910319 54 O -1.8337355 -0.0000000 0.0812239 0.0000000 -2.0353555 -0.0000000 0.0850506 -0.0000000 -2.0193467 55 O -1.6290063 -0.4618141 0.2452851 -0.5090351 -1.9101920 0.0512917 0.2635219 0.0710633 -1.4691743 ---------------------------------------------------------------------------- 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: 330/330 Permutation basis: 27390/27390 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 7076 Number of blocks in projector: 7076 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: 1702 Use submatrix version of eigh solver. (1) Block: 500 / 1702 (2) Block: 250 / 500 (2) 207 eigenvectors found. (2) Block: 500 / 500 (2) 209 eigenvectors found. (2) Complementary block size: 84 (2) Compute compressed projector. (2) Use standard solver. (2) 41 eigenvectors found. (1) 457 eigenvectors found. (1) Block: 1000 / 1702 (2) Block: 250 / 500 (2) 213 eigenvectors found. (2) Block: 500 / 500 (2) 219 eigenvectors found. (2) Complementary block size: 68 (2) Compute compressed projector. (2) Use standard solver. (2) 31 eigenvectors found. (1) 463 eigenvectors found. (1) Block: 1500 / 1702 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 217 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 463 eigenvectors found. (1) Block: 1702 / 1702 (1) 179 eigenvectors found. (1) Complementary block size: 140 (1) Compute compressed projector. (1) Use standard solver. (1) 97 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1328 Use submatrix version of eigh solver. (1) Block: 500 / 1328 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1000 / 1328 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 1328 / 1328 (1) 314 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 26 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1328 Use submatrix version of eigh solver. (1) Block: 500 / 1328 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1000 / 1328 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 1328 / 1328 (1) 314 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 26 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 906 Use submatrix version of eigh solver. (1) Block: 500 / 906 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 41 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 906 / 906 (1) 384 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 22 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 906 Use submatrix version of eigh solver. (1) Block: 500 / 906 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 41 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 906 / 906 (1) 384 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 22 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 906 Use submatrix version of eigh solver. (1) Block: 500 / 906 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 41 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 906 / 906 (1) 384 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 22 eigenvectors found. Tree of FC basis block matrices: - (7076, 6939), data: False |-- (906, 884), data: False |-- (906, 22), data: (906, 44) @ (44, 22) |-- (406, 384), data: True |-- (500, 478), data: False |-- (500, 19), data: (500, 41) @ (41, 19) |-- (250, 231), data: True |-- (250, 228), data: True |-- (906, 884), data: False |-- (906, 22), data: (906, 44) @ (44, 22) |-- (406, 384), data: True |-- (500, 478), data: False |-- (500, 19), data: (500, 41) @ (41, 19) |-- (250, 231), data: True |-- (250, 228), data: True |-- (906, 884), data: False |-- (906, 22), data: (906, 44) @ (44, 22) |-- (406, 384), data: True |-- (500, 478), data: False |-- (500, 19), data: (500, 41) @ (41, 19) |-- (250, 231), data: True |-- (250, 228), data: True |-- (1328, 1314), data: False |-- (1328, 26), data: (1328, 40) @ (40, 26) |-- (328, 314), data: True |-- (500, 488), data: False |-- (500, 8), data: (500, 20) @ (20, 8) |-- (250, 242), data: True |-- (250, 238), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (1328, 1314), data: False |-- (1328, 26), data: (1328, 40) @ (40, 26) |-- (328, 314), data: True |-- (500, 488), data: False |-- (500, 8), data: (500, 20) @ (20, 8) |-- (250, 242), data: True |-- (250, 238), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (1702, 1659), data: False |-- (1702, 97), data: (1702, 140) @ (140, 97) |-- (202, 179), data: True |-- (500, 463), data: False |-- (500, 15), data: (500, 52) @ (52, 15) |-- (250, 217), data: True |-- (250, 231), data: True |-- (500, 463), data: False |-- (500, 31), data: (500, 68) @ (68, 31) |-- (250, 219), data: True |-- (250, 213), data: True |-- (500, 457), data: False |-- (500, 41), data: (500, 84) @ (84, 41) |-- (250, 209), data: True |-- (250, 207), data: True ----- Solver_atoms: 1 -- 110 / 110 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 1680 - Time: 1.719 Solver_block: 200 / 1680 - Time: 1.468 Solver_block: 300 / 1680 - Time: 1.469 Solver_block: 400 / 1680 - Time: 1.468 Solver_block: 500 / 1680 - Time: 1.470 Solver_block: 600 / 1680 - Time: 1.474 Solver_block: 700 / 1680 - Time: 1.478 Solver_block: 800 / 1680 - Time: 1.480 Solver_block: 900 / 1680 - Time: 1.477 Solver_block: 1000 / 1680 - Time: 1.473 Solver_block: 1100 / 1680 - Time: 1.479 Solver_block: 1200 / 1680 - Time: 1.473 Solver_block: 1300 / 1680 - Time: 1.463 Solver_block: 1400 / 1680 - Time: 1.464 Solver_block: 1500 / 1680 - Time: 1.460 Solver_block: 1600 / 1680 - Time: 1.463 Solver_block: 1680 / 1680 - Time: 1.217 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 25.743 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 330/330 Permutation basis: 27390/27390 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 7076 Number of blocks in projector: 7076 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: 1702 Use submatrix version of eigh solver. (1) Block: 500 / 1702 (2) Block: 250 / 500 (2) 207 eigenvectors found. (2) Block: 500 / 500 (2) 209 eigenvectors found. (2) Complementary block size: 84 (2) Compute compressed projector. (2) Use standard solver. (2) 41 eigenvectors found. (1) 457 eigenvectors found. (1) Block: 1000 / 1702 (2) Block: 250 / 500 (2) 213 eigenvectors found. (2) Block: 500 / 500 (2) 219 eigenvectors found. (2) Complementary block size: 68 (2) Compute compressed projector. (2) Use standard solver. (2) 31 eigenvectors found. (1) 463 eigenvectors found. (1) Block: 1500 / 1702 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 217 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 463 eigenvectors found. (1) Block: 1702 / 1702 (1) 179 eigenvectors found. (1) Complementary block size: 140 (1) Compute compressed projector. (1) Use standard solver. (1) 97 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1328 Use submatrix version of eigh solver. (1) Block: 500 / 1328 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1000 / 1328 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 1328 / 1328 (1) 314 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 26 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1328 Use submatrix version of eigh solver. (1) Block: 500 / 1328 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1000 / 1328 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 1328 / 1328 (1) 314 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 26 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 906 Use submatrix version of eigh solver. (1) Block: 500 / 906 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 41 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 906 / 906 (1) 384 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 22 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 906 Use submatrix version of eigh solver. (1) Block: 500 / 906 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 41 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 906 / 906 (1) 384 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 22 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 906 Use submatrix version of eigh solver. (1) Block: 500 / 906 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 41 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 906 / 906 (1) 384 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 22 eigenvectors found. Tree of FC basis block matrices: - (7076, 6939), data: False |-- (906, 884), data: False |-- (906, 22), data: (906, 44) @ (44, 22) |-- (406, 384), data: True |-- (500, 478), data: False |-- (500, 19), data: (500, 41) @ (41, 19) |-- (250, 231), data: True |-- (250, 228), data: True |-- (906, 884), data: False |-- (906, 22), data: (906, 44) @ (44, 22) |-- (406, 384), data: True |-- (500, 478), data: False |-- (500, 19), data: (500, 41) @ (41, 19) |-- (250, 231), data: True |-- (250, 228), data: True |-- (906, 884), data: False |-- (906, 22), data: (906, 44) @ (44, 22) |-- (406, 384), data: True |-- (500, 478), data: False |-- (500, 19), data: (500, 41) @ (41, 19) |-- (250, 231), data: True |-- (250, 228), data: True |-- (1328, 1314), data: False |-- (1328, 26), data: (1328, 40) @ (40, 26) |-- (328, 314), data: True |-- (500, 488), data: False |-- (500, 8), data: (500, 20) @ (20, 8) |-- (250, 242), data: True |-- (250, 238), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (1328, 1314), data: False |-- (1328, 26), data: (1328, 40) @ (40, 26) |-- (328, 314), data: True |-- (500, 488), data: False |-- (500, 8), data: (500, 20) @ (20, 8) |-- (250, 242), data: True |-- (250, 238), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (1702, 1659), data: False |-- (1702, 97), data: (1702, 140) @ (140, 97) |-- (202, 179), data: True |-- (500, 463), data: False |-- (500, 15), data: (500, 52) @ (52, 15) |-- (250, 217), data: True |-- (250, 231), data: True |-- (500, 463), data: False |-- (500, 31), data: (500, 68) @ (68, 31) |-- (250, 219), data: True |-- (250, 213), data: True |-- (500, 457), data: False |-- (500, 41), data: (500, 84) @ (84, 41) |-- (250, 209), data: True |-- (250, 207), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 00:07:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 00:07:10]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2/m (10) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.842220840639989 0.000000000000000 0.000000000000000 b 0.000000000000000 6.063172630000000 0.000000000000000 c -3.717574170268873 0.000000000000000 9.743129815590089 Atomic positions (fractional): 1 Mg 0.73395336708035 0.74684666457230 0.99470916710479 24.305 2 Mg 0.26494573350700 0.50000000000000 0.75383394850384 24.305 3 Mg 0.73395336708035 0.25315333542770 0.99470916710479 24.305 4 Mg 0.72896995890652 0.00000000000000 0.74171359197784 24.305 5 Mg 0.25557926379150 0.75884584786302 0.50434538493651 24.305 6 Mg 0.00119917592373 0.75948966984723 0.73952870105713 24.305 7 Mg 0.74442073620850 0.75884584786302 0.49565461506349 24.305 8 Mg 0.27103004109348 0.00000000000000 0.25828640802216 24.305 9 Mg 0.00119917592373 0.24051033015277 0.73952870105713 24.305 10 Mg 0.25557926379150 0.24115415213698 0.50434538493651 24.305 11 Mg 0.74442073620850 0.24115415213698 0.49565461506349 24.305 12 Mg 0.99880082407627 0.75948966984723 0.26047129894287 24.305 13 Mg 0.73505426649300 0.50000000000000 0.24616605149616 24.305 14 Mg 0.26604663291964 0.74684666457230 0.00529083289521 24.305 15 Mg 0.26604663291964 0.25315333542770 0.00529083289521 24.305 16 Mg 0.99880082407627 0.24051033015277 0.26047129894287 24.305 17 Mg 0.00000000000000 0.50000000000000 0.00000000000000 24.305 18 As 0.42152319005944 0.00000000000000 0.80760659157193 74.922 19 As 0.57534395018482 0.50000000000000 0.68861999938138 74.922 20 As 0.42465604981518 0.50000000000000 0.31138000061862 74.922 21 As 0.57847680994055 0.00000000000000 0.19239340842807 74.922 22 As 0.00000000000000 0.50000000000000 0.50000000000000 74.922 23 As 0.00000000000000 0.00000000000000 0.00000000000000 74.922 24 O 0.11599932947613 0.00000000000000 0.89213733300471 15.999 25 O 0.61060394575003 0.00000000000000 0.87186818802177 15.999 26 O 0.36803902988990 0.76981136280672 0.86714969251951 15.999 27 O 0.13373463484556 0.50000000000000 0.87972003299592 15.999 28 O 0.88353448510018 0.78295882778850 0.89044259431786 15.999 29 O 0.36989198607610 0.00000000000000 0.63612024525574 15.999 30 O 0.63233568671005 0.50000000000000 0.86277210118977 15.999 31 O 0.36803902988990 0.23018863719328 0.86714969251951 15.999 32 O 0.11977731052951 0.70794295529611 0.61422239260685 15.999 33 O 0.38766766684775 0.50000000000000 0.62818672432136 15.999 34 O 0.88353448510018 0.21704117221150 0.89044259431786 15.999 35 O 0.11977731052951 0.29205704470389 0.61422239260685 15.999 36 O 0.14259167638484 0.00000000000000 0.36814245706017 15.999 37 O 0.85740832361516 0.00000000000000 0.63185754293983 15.999 38 O 0.63152179441693 0.72951762891608 0.63208867873416 15.999 39 O 0.11591431097203 0.50000000000000 0.39058607357621 15.999 40 O 0.63152179441693 0.27048237108392 0.63208867873416 15.999 41 O 0.63010801392390 0.00000000000000 0.36387975474426 15.999 42 O 0.36847820558307 0.72951762891608 0.36791132126584 15.999 43 O 0.88408568902797 0.50000000000000 0.60941392642379 15.999 44 O 0.61233233315225 0.50000000000000 0.37181327567864 15.999 45 O 0.11646551489982 0.78295882778850 0.10955740568214 15.999 46 O 0.88022268947049 0.70794295529611 0.38577760739315 15.999 47 O 0.36847820558307 0.27048237108392 0.36791132126584 15.999 48 O 0.38939605424997 0.00000000000000 0.12813181197823 15.999 49 O 0.88022268947049 0.29205704470389 0.38577760739315 15.999 50 O 0.36766431328995 0.50000000000000 0.13722789881023 15.999 51 O 0.63196097011010 0.76981136280672 0.13285030748049 15.999 52 O 0.11646551489982 0.21704117221150 0.10955740568214 15.999 53 O 0.88400067052387 0.00000000000000 0.10786266699529 15.999 54 O 0.86626536515444 0.50000000000000 0.12027996700408 15.999 55 O 0.63196097011010 0.23018863719328 0.13285030748049 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.842220840639989 0.000000000000000 0.000000000000000 b 0.000000000000000 12.126345260000001 0.000000000000000 c -3.717574170268873 0.000000000000000 9.743129815590089 Atomic positions (fractional): 1 Mg 0.73395336708035 0.37342333228615 0.99470916710479 24.305 > 1 2 Mg 0.73395336708035 0.87342333228615 0.99470916710479 24.305 > 1 3 Mg 0.26494573350700 0.25000000000000 0.75383394850384 24.305 > 3 4 Mg 0.26494573350700 0.75000000000000 0.75383394850384 24.305 > 3 5 Mg 0.73395336708035 0.12657666771385 0.99470916710479 24.305 > 5 6 Mg 0.73395336708035 0.62657666771385 0.99470916710479 24.305 > 5 7 Mg 0.72896995890652 0.00000000000000 0.74171359197784 24.305 > 7 8 Mg 0.72896995890652 0.50000000000000 0.74171359197784 24.305 > 7 9 Mg 0.25557926379150 0.37942292393151 0.50434538493651 24.305 > 9 10 Mg 0.25557926379150 0.87942292393151 0.50434538493651 24.305 > 9 11 Mg 0.00119917592373 0.37974483492361 0.73952870105713 24.305 > 11 12 Mg 0.00119917592373 0.87974483492361 0.73952870105713 24.305 > 11 13 Mg 0.74442073620850 0.37942292393151 0.49565461506349 24.305 > 13 14 Mg 0.74442073620850 0.87942292393151 0.49565461506349 24.305 > 13 15 Mg 0.27103004109348 0.00000000000000 0.25828640802216 24.305 > 15 16 Mg 0.27103004109348 0.50000000000000 0.25828640802216 24.305 > 15 17 Mg 0.00119917592373 0.12025516507639 0.73952870105713 24.305 > 17 18 Mg 0.00119917592373 0.62025516507639 0.73952870105713 24.305 > 17 19 Mg 0.25557926379150 0.12057707606849 0.50434538493651 24.305 > 19 20 Mg 0.25557926379150 0.62057707606849 0.50434538493651 24.305 > 19 21 Mg 0.74442073620850 0.12057707606849 0.49565461506349 24.305 > 21 22 Mg 0.74442073620850 0.62057707606849 0.49565461506349 24.305 > 21 23 Mg 0.99880082407627 0.37974483492361 0.26047129894287 24.305 > 23 24 Mg 0.99880082407627 0.87974483492361 0.26047129894287 24.305 > 23 25 Mg 0.73505426649300 0.25000000000000 0.24616605149616 24.305 > 25 26 Mg 0.73505426649300 0.75000000000000 0.24616605149616 24.305 > 25 27 Mg 0.26604663291964 0.37342333228615 0.00529083289521 24.305 > 27 28 Mg 0.26604663291964 0.87342333228615 0.00529083289521 24.305 > 27 29 Mg 0.26604663291964 0.12657666771385 0.00529083289521 24.305 > 29 30 Mg 0.26604663291964 0.62657666771385 0.00529083289521 24.305 > 29 31 Mg 0.99880082407627 0.12025516507639 0.26047129894287 24.305 > 31 32 Mg 0.99880082407627 0.62025516507639 0.26047129894287 24.305 > 31 33 Mg 0.00000000000000 0.25000000000000 0.00000000000000 24.305 > 33 34 Mg 0.00000000000000 0.75000000000000 0.00000000000000 24.305 > 33 35 As 0.42152319005944 0.00000000000000 0.80760659157193 74.922 > 35 36 As 0.42152319005944 0.50000000000000 0.80760659157193 74.922 > 35 37 As 0.57534395018482 0.25000000000000 0.68861999938138 74.922 > 37 38 As 0.57534395018482 0.75000000000000 0.68861999938138 74.922 > 37 39 As 0.42465604981518 0.25000000000000 0.31138000061862 74.922 > 39 40 As 0.42465604981518 0.75000000000000 0.31138000061862 74.922 > 39 41 As 0.57847680994055 0.00000000000000 0.19239340842807 74.922 > 41 42 As 0.57847680994055 0.50000000000000 0.19239340842807 74.922 > 41 43 As 0.00000000000000 0.25000000000000 0.50000000000000 74.922 > 43 44 As 0.00000000000000 0.75000000000000 0.50000000000000 74.922 > 43 45 As 0.00000000000000 0.00000000000000 0.00000000000000 74.922 > 45 46 As 0.00000000000000 0.50000000000000 0.00000000000000 74.922 > 45 47 O 0.11599932947613 0.00000000000000 0.89213733300471 15.999 > 47 48 O 0.11599932947613 0.50000000000000 0.89213733300471 15.999 > 47 49 O 0.61060394575003 0.00000000000000 0.87186818802177 15.999 > 49 50 O 0.61060394575003 0.50000000000000 0.87186818802177 15.999 > 49 51 O 0.36803902988990 0.38490568140336 0.86714969251951 15.999 > 51 52 O 0.36803902988990 0.88490568140336 0.86714969251951 15.999 > 51 53 O 0.13373463484556 0.25000000000000 0.87972003299592 15.999 > 53 54 O 0.13373463484556 0.75000000000000 0.87972003299592 15.999 > 53 55 O 0.88353448510018 0.39147941389425 0.89044259431786 15.999 > 55 56 O 0.88353448510018 0.89147941389425 0.89044259431786 15.999 > 55 57 O 0.36989198607610 0.00000000000000 0.63612024525574 15.999 > 57 58 O 0.36989198607610 0.50000000000000 0.63612024525574 15.999 > 57 59 O 0.63233568671005 0.25000000000000 0.86277210118977 15.999 > 59 60 O 0.63233568671005 0.75000000000000 0.86277210118977 15.999 > 59 61 O 0.36803902988990 0.11509431859664 0.86714969251951 15.999 > 61 62 O 0.36803902988990 0.61509431859664 0.86714969251951 15.999 > 61 63 O 0.11977731052951 0.35397147764805 0.61422239260685 15.999 > 63 64 O 0.11977731052951 0.85397147764805 0.61422239260685 15.999 > 63 65 O 0.38766766684775 0.25000000000000 0.62818672432136 15.999 > 65 66 O 0.38766766684775 0.75000000000000 0.62818672432136 15.999 > 65 67 O 0.88353448510018 0.10852058610575 0.89044259431786 15.999 > 67 68 O 0.88353448510018 0.60852058610575 0.89044259431786 15.999 > 67 69 O 0.11977731052951 0.14602852235195 0.61422239260685 15.999 > 69 70 O 0.11977731052951 0.64602852235195 0.61422239260685 15.999 > 69 71 O 0.14259167638484 0.00000000000000 0.36814245706017 15.999 > 71 72 O 0.14259167638484 0.50000000000000 0.36814245706017 15.999 > 71 73 O 0.85740832361516 0.00000000000000 0.63185754293983 15.999 > 73 74 O 0.85740832361516 0.50000000000000 0.63185754293983 15.999 > 73 75 O 0.63152179441693 0.36475881445804 0.63208867873416 15.999 > 75 76 O 0.63152179441693 0.86475881445804 0.63208867873416 15.999 > 75 77 O 0.11591431097203 0.25000000000000 0.39058607357621 15.999 > 77 78 O 0.11591431097203 0.75000000000000 0.39058607357621 15.999 > 77 79 O 0.63152179441693 0.13524118554196 0.63208867873416 15.999 > 79 80 O 0.63152179441693 0.63524118554196 0.63208867873416 15.999 > 79 81 O 0.63010801392390 0.00000000000000 0.36387975474426 15.999 > 81 82 O 0.63010801392390 0.50000000000000 0.36387975474426 15.999 > 81 83 O 0.36847820558307 0.36475881445804 0.36791132126584 15.999 > 83 84 O 0.36847820558307 0.86475881445804 0.36791132126584 15.999 > 83 85 O 0.88408568902797 0.25000000000000 0.60941392642379 15.999 > 85 86 O 0.88408568902797 0.75000000000000 0.60941392642379 15.999 > 85 87 O 0.61233233315225 0.25000000000000 0.37181327567864 15.999 > 87 88 O 0.61233233315225 0.75000000000000 0.37181327567864 15.999 > 87 89 O 0.11646551489982 0.39147941389425 0.10955740568214 15.999 > 89 90 O 0.11646551489982 0.89147941389425 0.10955740568214 15.999 > 89 91 O 0.88022268947049 0.35397147764805 0.38577760739315 15.999 > 91 92 O 0.88022268947049 0.85397147764805 0.38577760739315 15.999 > 91 93 O 0.36847820558307 0.13524118554196 0.36791132126584 15.999 > 93 94 O 0.36847820558307 0.63524118554196 0.36791132126584 15.999 > 93 95 O 0.38939605424997 0.00000000000000 0.12813181197823 15.999 > 95 96 O 0.38939605424997 0.50000000000000 0.12813181197823 15.999 > 95 97 O 0.88022268947049 0.14602852235195 0.38577760739315 15.999 > 97 98 O 0.88022268947049 0.64602852235195 0.38577760739315 15.999 > 97 99 O 0.36766431328995 0.25000000000000 0.13722789881023 15.999 > 99 100 O 0.36766431328995 0.75000000000000 0.13722789881023 15.999 > 99 101 O 0.63196097011010 0.38490568140336 0.13285030748049 15.999 > 101 102 O 0.63196097011010 0.88490568140336 0.13285030748049 15.999 > 101 103 O 0.11646551489982 0.10852058610575 0.10955740568214 15.999 > 103 104 O 0.11646551489982 0.60852058610575 0.10955740568214 15.999 > 103 105 O 0.88400067052387 0.00000000000000 0.10786266699529 15.999 > 105 106 O 0.88400067052387 0.50000000000000 0.10786266699529 15.999 > 105 107 O 0.86626536515444 0.25000000000000 0.12027996700408 15.999 > 107 108 O 0.86626536515444 0.75000000000000 0.12027996700408 15.999 > 107 109 O 0.63196097011010 0.11509431859664 0.13285030748049 15.999 > 109 110 O 0.63196097011010 0.61509431859664 0.13285030748049 15.999 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2574872 0.0000000 0.0320498 0.0000000 3.1870771 0.0000000 0.0320489 0.0000000 3.2130130 -------------------------- Born effective charges -------------------------- 1 Mg 2.1859802 -0.0751130 0.0667175 -0.0752094 2.0200647 0.0554412 0.0599324 0.0516557 2.1178512 2 Mg 2.2211325 -0.0000000 0.0022273 0.0000000 2.0562076 -0.0000000 0.0265011 -0.0000000 1.9249942 3 Mg 2.1859802 0.0751130 0.0667175 0.0752094 2.0200647 -0.0554412 0.0599324 -0.0516557 2.1178512 4 Mg 2.1367890 -0.0000000 0.1091068 0.0000000 2.1714313 -0.0000000 0.0917476 -0.0000000 1.9102402 5 Mg 2.1626533 -0.0202305 0.0127627 -0.0165429 2.0504188 0.0149695 0.0549768 0.0258420 2.1876128 6 Mg 1.7901688 -0.3666455 -0.0677473 -0.2937978 2.0351920 0.2218039 -0.1225254 0.2063937 2.2776697 7 Mg 2.1626533 0.0202305 0.0127627 0.0165429 2.0504188 -0.0149695 0.0549768 -0.0258420 2.1876128 8 Mg 2.1367890 -0.0000000 0.1091068 0.0000000 2.1714313 -0.0000000 0.0917476 -0.0000000 1.9102402 9 Mg 1.7901688 0.3666455 -0.0677473 0.2937978 2.0351920 -0.2218039 -0.1225254 -0.2063937 2.2776697 10 Mg 2.1626533 0.0202305 0.0127627 0.0165429 2.0504188 -0.0149695 0.0549768 -0.0258420 2.1876128 11 Mg 2.1626533 -0.0202305 0.0127627 -0.0165429 2.0504188 0.0149695 0.0549768 0.0258420 2.1876128 12 Mg 1.7901688 0.3666455 -0.0677473 0.2937978 2.0351920 -0.2218039 -0.1225254 -0.2063937 2.2776697 13 Mg 2.2211325 -0.0000000 0.0022273 0.0000000 2.0562076 -0.0000000 0.0265011 -0.0000000 1.9249942 14 Mg 2.1859802 0.0751130 0.0667175 0.0752094 2.0200647 -0.0554412 0.0599324 -0.0516557 2.1178512 15 Mg 2.1859802 -0.0751130 0.0667175 -0.0752094 2.0200647 0.0554412 0.0599324 0.0516557 2.1178512 16 Mg 1.7901688 -0.3666455 -0.0677473 -0.2937978 2.0351920 0.2218039 -0.1225254 0.2063937 2.2776697 17 Mg 1.9142378 -0.0000000 -0.2383641 0.0000000 2.4923702 -0.0000000 -0.1681273 -0.0000000 1.6629398 18 As 3.5287640 -0.0000000 0.0273727 0.0000000 3.3289082 -0.0000000 0.0791509 -0.0000000 3.2877900 19 As 3.4263615 -0.0000000 0.0982416 0.0000000 3.2482574 -0.0000000 0.0862820 -0.0000000 3.3389710 20 As 3.4263615 -0.0000000 0.0982416 0.0000000 3.2482574 -0.0000000 0.0862820 -0.0000000 3.3389710 21 As 3.5287640 -0.0000000 0.0273727 0.0000000 3.3289082 -0.0000000 0.0791509 -0.0000000 3.2877900 22 As 4.0753623 -0.0000000 0.0354232 0.0000000 3.5315197 -0.0000000 0.0474617 -0.0000000 4.2760704 23 As 3.8900677 -0.0000000 -0.0125466 0.0000000 3.9632311 -0.0000000 -0.0593487 -0.0000000 3.9004036 24 O -2.0204988 -0.0000000 0.1474840 0.0000000 -1.7116772 -0.0000000 0.2207629 -0.0000000 -1.8910319 25 O -2.4722865 -0.0000000 -0.4095318 0.0000000 -1.3721026 -0.0000000 -0.4325123 -0.0000000 -1.5349625 26 O -1.6290063 -0.4618141 0.2452851 -0.5090351 -1.9101920 0.0512917 0.2635219 0.0710633 -1.4691743 27 O -1.8337355 -0.0000000 0.0812239 0.0000000 -2.0353555 -0.0000000 0.0850506 -0.0000000 -2.0193467 28 O -1.8005786 -0.0813364 -0.1014528 -0.1195758 -1.9426035 -0.1576426 -0.1090567 -0.1542223 -1.8131410 29 O -1.1438011 -0.0000000 -0.0874813 0.0000000 -1.5077168 -0.0000000 -0.1849027 -0.0000000 -2.2050579 30 O -1.2006993 -0.0000000 -0.1431219 0.0000000 -1.5314283 -0.0000000 -0.2054259 -0.0000000 -2.3506657 31 O -1.6290063 0.4618141 0.2452851 0.5090351 -1.9101920 -0.0512917 0.2635219 -0.0710633 -1.4691743 32 O -1.8445157 -0.1327649 -0.0750446 -0.2065919 -1.6432364 -0.3483579 -0.1004977 -0.2699698 -1.8820755 33 O -2.4496603 -0.0000000 -0.3660702 0.0000000 -1.3572809 -0.0000000 -0.4090869 -0.0000000 -1.4951391 34 O -1.8005786 0.0813364 -0.1014528 0.1195758 -1.9426035 0.1576426 -0.1090567 0.1542223 -1.8131410 35 O -1.8445157 0.1327649 -0.0750446 0.2065919 -1.6432364 0.3483579 -0.1004977 0.2699698 -1.8820755 36 O -1.6514442 -0.0000000 -0.1262068 0.0000000 -2.0667550 -0.0000000 -0.1147023 -0.0000000 -1.9268372 37 O -1.6514442 -0.0000000 -0.1262068 0.0000000 -2.0667550 -0.0000000 -0.1147023 -0.0000000 -1.9268372 38 O -1.5721177 -0.4087254 0.2112595 -0.4707992 -1.8822282 0.0187584 0.2591739 0.0515527 -1.4258263 39 O -2.0659237 -0.0000000 0.1909392 0.0000000 -1.6708792 -0.0000000 0.2360919 -0.0000000 -1.9444946 40 O -1.5721177 0.4087254 0.2112595 0.4707992 -1.8822282 -0.0187584 0.2591739 -0.0515527 -1.4258263 41 O -1.1438011 -0.0000000 -0.0874813 0.0000000 -1.5077168 -0.0000000 -0.1849027 -0.0000000 -2.2050579 42 O -1.5721177 0.4087254 0.2112595 0.4707992 -1.8822282 -0.0187584 0.2591739 -0.0515527 -1.4258263 43 O -2.0659237 -0.0000000 0.1909392 0.0000000 -1.6708792 -0.0000000 0.2360919 -0.0000000 -1.9444946 44 O -2.4496603 -0.0000000 -0.3660702 0.0000000 -1.3572809 -0.0000000 -0.4090869 -0.0000000 -1.4951391 45 O -1.8005786 0.0813364 -0.1014528 0.1195758 -1.9426035 0.1576426 -0.1090567 0.1542223 -1.8131410 46 O -1.8445157 0.1327649 -0.0750446 0.2065919 -1.6432364 0.3483579 -0.1004977 0.2699698 -1.8820755 47 O -1.5721177 -0.4087254 0.2112595 -0.4707992 -1.8822282 0.0187584 0.2591739 0.0515527 -1.4258263 48 O -2.4722865 -0.0000000 -0.4095318 0.0000000 -1.3721026 -0.0000000 -0.4325123 -0.0000000 -1.5349625 49 O -1.8445157 -0.1327649 -0.0750446 -0.2065919 -1.6432364 -0.3483579 -0.1004977 -0.2699698 -1.8820755 50 O -1.2006993 -0.0000000 -0.1431219 0.0000000 -1.5314283 -0.0000000 -0.2054259 -0.0000000 -2.3506657 51 O -1.6290063 0.4618141 0.2452851 0.5090351 -1.9101920 -0.0512917 0.2635219 -0.0710633 -1.4691743 52 O -1.8005786 -0.0813364 -0.1014528 -0.1195758 -1.9426035 -0.1576426 -0.1090567 -0.1542223 -1.8131410 53 O -2.0204988 -0.0000000 0.1474840 0.0000000 -1.7116772 -0.0000000 0.2207629 -0.0000000 -1.8910319 54 O -1.8337355 -0.0000000 0.0812239 0.0000000 -2.0353555 -0.0000000 0.0850506 -0.0000000 -2.0193467 55 O -1.6290063 -0.4618141 0.2452851 -0.5090351 -1.9101920 0.0512917 0.2635219 0.0710633 -1.4691743 ---------------------------------------------------------------------------- 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[ 3, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 7, 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[ 11, 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[ 35, 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[ 43, 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[ 47, 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[ 51, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0036 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[ 55, 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[ 59, 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[ 63, 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[ 71, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 75, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 77, 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: -0.00000013 (xxx) -0.00000013 (xxx) -0.00000013 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yz) -0.00000000 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 00:08:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 00:08:25]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2/m (10) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.842220840639989 0.000000000000000 0.000000000000000 b 0.000000000000000 6.063172630000000 0.000000000000000 c -3.717574170268873 0.000000000000000 9.743129815590089 Atomic positions (fractional): 1 Mg 0.73395336708035 0.74684666457230 0.99470916710479 24.305 2 Mg 0.26494573350700 0.50000000000000 0.75383394850384 24.305 3 Mg 0.73395336708035 0.25315333542770 0.99470916710479 24.305 4 Mg 0.72896995890652 0.00000000000000 0.74171359197784 24.305 5 Mg 0.25557926379150 0.75884584786302 0.50434538493651 24.305 6 Mg 0.00119917592373 0.75948966984723 0.73952870105713 24.305 7 Mg 0.74442073620850 0.75884584786302 0.49565461506349 24.305 8 Mg 0.27103004109348 0.00000000000000 0.25828640802216 24.305 9 Mg 0.00119917592373 0.24051033015277 0.73952870105713 24.305 10 Mg 0.25557926379150 0.24115415213698 0.50434538493651 24.305 11 Mg 0.74442073620850 0.24115415213698 0.49565461506349 24.305 12 Mg 0.99880082407627 0.75948966984723 0.26047129894287 24.305 13 Mg 0.73505426649300 0.50000000000000 0.24616605149616 24.305 14 Mg 0.26604663291964 0.74684666457230 0.00529083289521 24.305 15 Mg 0.26604663291964 0.25315333542770 0.00529083289521 24.305 16 Mg 0.99880082407627 0.24051033015277 0.26047129894287 24.305 17 Mg 0.00000000000000 0.50000000000000 0.00000000000000 24.305 18 As 0.42152319005944 0.00000000000000 0.80760659157193 74.922 19 As 0.57534395018482 0.50000000000000 0.68861999938138 74.922 20 As 0.42465604981518 0.50000000000000 0.31138000061862 74.922 21 As 0.57847680994055 0.00000000000000 0.19239340842807 74.922 22 As 0.00000000000000 0.50000000000000 0.50000000000000 74.922 23 As 0.00000000000000 0.00000000000000 0.00000000000000 74.922 24 O 0.11599932947613 0.00000000000000 0.89213733300471 15.999 25 O 0.61060394575003 0.00000000000000 0.87186818802177 15.999 26 O 0.36803902988990 0.76981136280672 0.86714969251951 15.999 27 O 0.13373463484556 0.50000000000000 0.87972003299592 15.999 28 O 0.88353448510018 0.78295882778850 0.89044259431786 15.999 29 O 0.36989198607610 0.00000000000000 0.63612024525574 15.999 30 O 0.63233568671005 0.50000000000000 0.86277210118977 15.999 31 O 0.36803902988990 0.23018863719328 0.86714969251951 15.999 32 O 0.11977731052951 0.70794295529611 0.61422239260685 15.999 33 O 0.38766766684775 0.50000000000000 0.62818672432136 15.999 34 O 0.88353448510018 0.21704117221150 0.89044259431786 15.999 35 O 0.11977731052951 0.29205704470389 0.61422239260685 15.999 36 O 0.14259167638484 0.00000000000000 0.36814245706017 15.999 37 O 0.85740832361516 0.00000000000000 0.63185754293983 15.999 38 O 0.63152179441693 0.72951762891608 0.63208867873416 15.999 39 O 0.11591431097203 0.50000000000000 0.39058607357621 15.999 40 O 0.63152179441693 0.27048237108392 0.63208867873416 15.999 41 O 0.63010801392390 0.00000000000000 0.36387975474426 15.999 42 O 0.36847820558307 0.72951762891608 0.36791132126584 15.999 43 O 0.88408568902797 0.50000000000000 0.60941392642379 15.999 44 O 0.61233233315225 0.50000000000000 0.37181327567864 15.999 45 O 0.11646551489982 0.78295882778850 0.10955740568214 15.999 46 O 0.88022268947049 0.70794295529611 0.38577760739315 15.999 47 O 0.36847820558307 0.27048237108392 0.36791132126584 15.999 48 O 0.38939605424997 0.00000000000000 0.12813181197823 15.999 49 O 0.88022268947049 0.29205704470389 0.38577760739315 15.999 50 O 0.36766431328995 0.50000000000000 0.13722789881023 15.999 51 O 0.63196097011010 0.76981136280672 0.13285030748049 15.999 52 O 0.11646551489982 0.21704117221150 0.10955740568214 15.999 53 O 0.88400067052387 0.00000000000000 0.10786266699529 15.999 54 O 0.86626536515444 0.50000000000000 0.12027996700408 15.999 55 O 0.63196097011010 0.23018863719328 0.13285030748049 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.842220840639989 0.000000000000000 0.000000000000000 b 0.000000000000000 12.126345260000001 0.000000000000000 c -3.717574170268873 0.000000000000000 9.743129815590089 Atomic positions (fractional): 1 Mg 0.73395336708035 0.37342333228615 0.99470916710479 24.305 > 1 2 Mg 0.73395336708035 0.87342333228615 0.99470916710479 24.305 > 1 3 Mg 0.26494573350700 0.25000000000000 0.75383394850384 24.305 > 3 4 Mg 0.26494573350700 0.75000000000000 0.75383394850384 24.305 > 3 5 Mg 0.73395336708035 0.12657666771385 0.99470916710479 24.305 > 5 6 Mg 0.73395336708035 0.62657666771385 0.99470916710479 24.305 > 5 7 Mg 0.72896995890652 0.00000000000000 0.74171359197784 24.305 > 7 8 Mg 0.72896995890652 0.50000000000000 0.74171359197784 24.305 > 7 9 Mg 0.25557926379150 0.37942292393151 0.50434538493651 24.305 > 9 10 Mg 0.25557926379150 0.87942292393151 0.50434538493651 24.305 > 9 11 Mg 0.00119917592373 0.37974483492361 0.73952870105713 24.305 > 11 12 Mg 0.00119917592373 0.87974483492361 0.73952870105713 24.305 > 11 13 Mg 0.74442073620850 0.37942292393151 0.49565461506349 24.305 > 13 14 Mg 0.74442073620850 0.87942292393151 0.49565461506349 24.305 > 13 15 Mg 0.27103004109348 0.00000000000000 0.25828640802216 24.305 > 15 16 Mg 0.27103004109348 0.50000000000000 0.25828640802216 24.305 > 15 17 Mg 0.00119917592373 0.12025516507639 0.73952870105713 24.305 > 17 18 Mg 0.00119917592373 0.62025516507639 0.73952870105713 24.305 > 17 19 Mg 0.25557926379150 0.12057707606849 0.50434538493651 24.305 > 19 20 Mg 0.25557926379150 0.62057707606849 0.50434538493651 24.305 > 19 21 Mg 0.74442073620850 0.12057707606849 0.49565461506349 24.305 > 21 22 Mg 0.74442073620850 0.62057707606849 0.49565461506349 24.305 > 21 23 Mg 0.99880082407627 0.37974483492361 0.26047129894287 24.305 > 23 24 Mg 0.99880082407627 0.87974483492361 0.26047129894287 24.305 > 23 25 Mg 0.73505426649300 0.25000000000000 0.24616605149616 24.305 > 25 26 Mg 0.73505426649300 0.75000000000000 0.24616605149616 24.305 > 25 27 Mg 0.26604663291964 0.37342333228615 0.00529083289521 24.305 > 27 28 Mg 0.26604663291964 0.87342333228615 0.00529083289521 24.305 > 27 29 Mg 0.26604663291964 0.12657666771385 0.00529083289521 24.305 > 29 30 Mg 0.26604663291964 0.62657666771385 0.00529083289521 24.305 > 29 31 Mg 0.99880082407627 0.12025516507639 0.26047129894287 24.305 > 31 32 Mg 0.99880082407627 0.62025516507639 0.26047129894287 24.305 > 31 33 Mg 0.00000000000000 0.25000000000000 0.00000000000000 24.305 > 33 34 Mg 0.00000000000000 0.75000000000000 0.00000000000000 24.305 > 33 35 As 0.42152319005944 0.00000000000000 0.80760659157193 74.922 > 35 36 As 0.42152319005944 0.50000000000000 0.80760659157193 74.922 > 35 37 As 0.57534395018482 0.25000000000000 0.68861999938138 74.922 > 37 38 As 0.57534395018482 0.75000000000000 0.68861999938138 74.922 > 37 39 As 0.42465604981518 0.25000000000000 0.31138000061862 74.922 > 39 40 As 0.42465604981518 0.75000000000000 0.31138000061862 74.922 > 39 41 As 0.57847680994055 0.00000000000000 0.19239340842807 74.922 > 41 42 As 0.57847680994055 0.50000000000000 0.19239340842807 74.922 > 41 43 As 0.00000000000000 0.25000000000000 0.50000000000000 74.922 > 43 44 As 0.00000000000000 0.75000000000000 0.50000000000000 74.922 > 43 45 As 0.00000000000000 0.00000000000000 0.00000000000000 74.922 > 45 46 As 0.00000000000000 0.50000000000000 0.00000000000000 74.922 > 45 47 O 0.11599932947613 0.00000000000000 0.89213733300471 15.999 > 47 48 O 0.11599932947613 0.50000000000000 0.89213733300471 15.999 > 47 49 O 0.61060394575003 0.00000000000000 0.87186818802177 15.999 > 49 50 O 0.61060394575003 0.50000000000000 0.87186818802177 15.999 > 49 51 O 0.36803902988990 0.38490568140336 0.86714969251951 15.999 > 51 52 O 0.36803902988990 0.88490568140336 0.86714969251951 15.999 > 51 53 O 0.13373463484556 0.25000000000000 0.87972003299592 15.999 > 53 54 O 0.13373463484556 0.75000000000000 0.87972003299592 15.999 > 53 55 O 0.88353448510018 0.39147941389425 0.89044259431786 15.999 > 55 56 O 0.88353448510018 0.89147941389425 0.89044259431786 15.999 > 55 57 O 0.36989198607610 0.00000000000000 0.63612024525574 15.999 > 57 58 O 0.36989198607610 0.50000000000000 0.63612024525574 15.999 > 57 59 O 0.63233568671005 0.25000000000000 0.86277210118977 15.999 > 59 60 O 0.63233568671005 0.75000000000000 0.86277210118977 15.999 > 59 61 O 0.36803902988990 0.11509431859664 0.86714969251951 15.999 > 61 62 O 0.36803902988990 0.61509431859664 0.86714969251951 15.999 > 61 63 O 0.11977731052951 0.35397147764805 0.61422239260685 15.999 > 63 64 O 0.11977731052951 0.85397147764805 0.61422239260685 15.999 > 63 65 O 0.38766766684775 0.25000000000000 0.62818672432136 15.999 > 65 66 O 0.38766766684775 0.75000000000000 0.62818672432136 15.999 > 65 67 O 0.88353448510018 0.10852058610575 0.89044259431786 15.999 > 67 68 O 0.88353448510018 0.60852058610575 0.89044259431786 15.999 > 67 69 O 0.11977731052951 0.14602852235195 0.61422239260685 15.999 > 69 70 O 0.11977731052951 0.64602852235195 0.61422239260685 15.999 > 69 71 O 0.14259167638484 0.00000000000000 0.36814245706017 15.999 > 71 72 O 0.14259167638484 0.50000000000000 0.36814245706017 15.999 > 71 73 O 0.85740832361516 0.00000000000000 0.63185754293983 15.999 > 73 74 O 0.85740832361516 0.50000000000000 0.63185754293983 15.999 > 73 75 O 0.63152179441693 0.36475881445804 0.63208867873416 15.999 > 75 76 O 0.63152179441693 0.86475881445804 0.63208867873416 15.999 > 75 77 O 0.11591431097203 0.25000000000000 0.39058607357621 15.999 > 77 78 O 0.11591431097203 0.75000000000000 0.39058607357621 15.999 > 77 79 O 0.63152179441693 0.13524118554196 0.63208867873416 15.999 > 79 80 O 0.63152179441693 0.63524118554196 0.63208867873416 15.999 > 79 81 O 0.63010801392390 0.00000000000000 0.36387975474426 15.999 > 81 82 O 0.63010801392390 0.50000000000000 0.36387975474426 15.999 > 81 83 O 0.36847820558307 0.36475881445804 0.36791132126584 15.999 > 83 84 O 0.36847820558307 0.86475881445804 0.36791132126584 15.999 > 83 85 O 0.88408568902797 0.25000000000000 0.60941392642379 15.999 > 85 86 O 0.88408568902797 0.75000000000000 0.60941392642379 15.999 > 85 87 O 0.61233233315225 0.25000000000000 0.37181327567864 15.999 > 87 88 O 0.61233233315225 0.75000000000000 0.37181327567864 15.999 > 87 89 O 0.11646551489982 0.39147941389425 0.10955740568214 15.999 > 89 90 O 0.11646551489982 0.89147941389425 0.10955740568214 15.999 > 89 91 O 0.88022268947049 0.35397147764805 0.38577760739315 15.999 > 91 92 O 0.88022268947049 0.85397147764805 0.38577760739315 15.999 > 91 93 O 0.36847820558307 0.13524118554196 0.36791132126584 15.999 > 93 94 O 0.36847820558307 0.63524118554196 0.36791132126584 15.999 > 93 95 O 0.38939605424997 0.00000000000000 0.12813181197823 15.999 > 95 96 O 0.38939605424997 0.50000000000000 0.12813181197823 15.999 > 95 97 O 0.88022268947049 0.14602852235195 0.38577760739315 15.999 > 97 98 O 0.88022268947049 0.64602852235195 0.38577760739315 15.999 > 97 99 O 0.36766431328995 0.25000000000000 0.13722789881023 15.999 > 99 100 O 0.36766431328995 0.75000000000000 0.13722789881023 15.999 > 99 101 O 0.63196097011010 0.38490568140336 0.13285030748049 15.999 > 101 102 O 0.63196097011010 0.88490568140336 0.13285030748049 15.999 > 101 103 O 0.11646551489982 0.10852058610575 0.10955740568214 15.999 > 103 104 O 0.11646551489982 0.60852058610575 0.10955740568214 15.999 > 103 105 O 0.88400067052387 0.00000000000000 0.10786266699529 15.999 > 105 106 O 0.88400067052387 0.50000000000000 0.10786266699529 15.999 > 105 107 O 0.86626536515444 0.25000000000000 0.12027996700408 15.999 > 107 108 O 0.86626536515444 0.75000000000000 0.12027996700408 15.999 > 107 109 O 0.63196097011010 0.11509431859664 0.13285030748049 15.999 > 109 110 O 0.63196097011010 0.61509431859664 0.13285030748049 15.999 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.2574872 0.0000000 0.0320498 0.0000000 3.1870771 0.0000000 0.0320489 0.0000000 3.2130130 -------------------------- Born effective charges -------------------------- 1 Mg 2.1859802 -0.0751130 0.0667175 -0.0752094 2.0200647 0.0554412 0.0599324 0.0516557 2.1178512 2 Mg 2.2211325 -0.0000000 0.0022273 0.0000000 2.0562076 -0.0000000 0.0265011 -0.0000000 1.9249942 3 Mg 2.1859802 0.0751130 0.0667175 0.0752094 2.0200647 -0.0554412 0.0599324 -0.0516557 2.1178512 4 Mg 2.1367890 -0.0000000 0.1091068 0.0000000 2.1714313 -0.0000000 0.0917476 -0.0000000 1.9102402 5 Mg 2.1626533 -0.0202305 0.0127627 -0.0165429 2.0504188 0.0149695 0.0549768 0.0258420 2.1876128 6 Mg 1.7901688 -0.3666455 -0.0677473 -0.2937978 2.0351920 0.2218039 -0.1225254 0.2063937 2.2776697 7 Mg 2.1626533 0.0202305 0.0127627 0.0165429 2.0504188 -0.0149695 0.0549768 -0.0258420 2.1876128 8 Mg 2.1367890 -0.0000000 0.1091068 0.0000000 2.1714313 -0.0000000 0.0917476 -0.0000000 1.9102402 9 Mg 1.7901688 0.3666455 -0.0677473 0.2937978 2.0351920 -0.2218039 -0.1225254 -0.2063937 2.2776697 10 Mg 2.1626533 0.0202305 0.0127627 0.0165429 2.0504188 -0.0149695 0.0549768 -0.0258420 2.1876128 11 Mg 2.1626533 -0.0202305 0.0127627 -0.0165429 2.0504188 0.0149695 0.0549768 0.0258420 2.1876128 12 Mg 1.7901688 0.3666455 -0.0677473 0.2937978 2.0351920 -0.2218039 -0.1225254 -0.2063937 2.2776697 13 Mg 2.2211325 -0.0000000 0.0022273 0.0000000 2.0562076 -0.0000000 0.0265011 -0.0000000 1.9249942 14 Mg 2.1859802 0.0751130 0.0667175 0.0752094 2.0200647 -0.0554412 0.0599324 -0.0516557 2.1178512 15 Mg 2.1859802 -0.0751130 0.0667175 -0.0752094 2.0200647 0.0554412 0.0599324 0.0516557 2.1178512 16 Mg 1.7901688 -0.3666455 -0.0677473 -0.2937978 2.0351920 0.2218039 -0.1225254 0.2063937 2.2776697 17 Mg 1.9142378 -0.0000000 -0.2383641 0.0000000 2.4923702 -0.0000000 -0.1681273 -0.0000000 1.6629398 18 As 3.5287640 -0.0000000 0.0273727 0.0000000 3.3289082 -0.0000000 0.0791509 -0.0000000 3.2877900 19 As 3.4263615 -0.0000000 0.0982416 0.0000000 3.2482574 -0.0000000 0.0862820 -0.0000000 3.3389710 20 As 3.4263615 -0.0000000 0.0982416 0.0000000 3.2482574 -0.0000000 0.0862820 -0.0000000 3.3389710 21 As 3.5287640 -0.0000000 0.0273727 0.0000000 3.3289082 -0.0000000 0.0791509 -0.0000000 3.2877900 22 As 4.0753623 -0.0000000 0.0354232 0.0000000 3.5315197 -0.0000000 0.0474617 -0.0000000 4.2760704 23 As 3.8900677 -0.0000000 -0.0125466 0.0000000 3.9632311 -0.0000000 -0.0593487 -0.0000000 3.9004036 24 O -2.0204988 -0.0000000 0.1474840 0.0000000 -1.7116772 -0.0000000 0.2207629 -0.0000000 -1.8910319 25 O -2.4722865 -0.0000000 -0.4095318 0.0000000 -1.3721026 -0.0000000 -0.4325123 -0.0000000 -1.5349625 26 O -1.6290063 -0.4618141 0.2452851 -0.5090351 -1.9101920 0.0512917 0.2635219 0.0710633 -1.4691743 27 O -1.8337355 -0.0000000 0.0812239 0.0000000 -2.0353555 -0.0000000 0.0850506 -0.0000000 -2.0193467 28 O -1.8005786 -0.0813364 -0.1014528 -0.1195758 -1.9426035 -0.1576426 -0.1090567 -0.1542223 -1.8131410 29 O -1.1438011 -0.0000000 -0.0874813 0.0000000 -1.5077168 -0.0000000 -0.1849027 -0.0000000 -2.2050579 30 O -1.2006993 -0.0000000 -0.1431219 0.0000000 -1.5314283 -0.0000000 -0.2054259 -0.0000000 -2.3506657 31 O -1.6290063 0.4618141 0.2452851 0.5090351 -1.9101920 -0.0512917 0.2635219 -0.0710633 -1.4691743 32 O -1.8445157 -0.1327649 -0.0750446 -0.2065919 -1.6432364 -0.3483579 -0.1004977 -0.2699698 -1.8820755 33 O -2.4496603 -0.0000000 -0.3660702 0.0000000 -1.3572809 -0.0000000 -0.4090869 -0.0000000 -1.4951391 34 O -1.8005786 0.0813364 -0.1014528 0.1195758 -1.9426035 0.1576426 -0.1090567 0.1542223 -1.8131410 35 O -1.8445157 0.1327649 -0.0750446 0.2065919 -1.6432364 0.3483579 -0.1004977 0.2699698 -1.8820755 36 O -1.6514442 -0.0000000 -0.1262068 0.0000000 -2.0667550 -0.0000000 -0.1147023 -0.0000000 -1.9268372 37 O -1.6514442 -0.0000000 -0.1262068 0.0000000 -2.0667550 -0.0000000 -0.1147023 -0.0000000 -1.9268372 38 O -1.5721177 -0.4087254 0.2112595 -0.4707992 -1.8822282 0.0187584 0.2591739 0.0515527 -1.4258263 39 O -2.0659237 -0.0000000 0.1909392 0.0000000 -1.6708792 -0.0000000 0.2360919 -0.0000000 -1.9444946 40 O -1.5721177 0.4087254 0.2112595 0.4707992 -1.8822282 -0.0187584 0.2591739 -0.0515527 -1.4258263 41 O -1.1438011 -0.0000000 -0.0874813 0.0000000 -1.5077168 -0.0000000 -0.1849027 -0.0000000 -2.2050579 42 O -1.5721177 0.4087254 0.2112595 0.4707992 -1.8822282 -0.0187584 0.2591739 -0.0515527 -1.4258263 43 O -2.0659237 -0.0000000 0.1909392 0.0000000 -1.6708792 -0.0000000 0.2360919 -0.0000000 -1.9444946 44 O -2.4496603 -0.0000000 -0.3660702 0.0000000 -1.3572809 -0.0000000 -0.4090869 -0.0000000 -1.4951391 45 O -1.8005786 0.0813364 -0.1014528 0.1195758 -1.9426035 0.1576426 -0.1090567 0.1542223 -1.8131410 46 O -1.8445157 0.1327649 -0.0750446 0.2065919 -1.6432364 0.3483579 -0.1004977 0.2699698 -1.8820755 47 O -1.5721177 -0.4087254 0.2112595 -0.4707992 -1.8822282 0.0187584 0.2591739 0.0515527 -1.4258263 48 O -2.4722865 -0.0000000 -0.4095318 0.0000000 -1.3721026 -0.0000000 -0.4325123 -0.0000000 -1.5349625 49 O -1.8445157 -0.1327649 -0.0750446 -0.2065919 -1.6432364 -0.3483579 -0.1004977 -0.2699698 -1.8820755 50 O -1.2006993 -0.0000000 -0.1431219 0.0000000 -1.5314283 -0.0000000 -0.2054259 -0.0000000 -2.3506657 51 O -1.6290063 0.4618141 0.2452851 0.5090351 -1.9101920 -0.0512917 0.2635219 -0.0710633 -1.4691743 52 O -1.8005786 -0.0813364 -0.1014528 -0.1195758 -1.9426035 -0.1576426 -0.1090567 -0.1542223 -1.8131410 53 O -2.0204988 -0.0000000 0.1474840 0.0000000 -1.7116772 -0.0000000 0.2207629 -0.0000000 -1.8910319 54 O -1.8337355 -0.0000000 0.0812239 0.0000000 -2.0353555 -0.0000000 0.0850506 -0.0000000 -2.0193467 55 O -1.6290063 -0.4618141 0.2452851 -0.5090351 -1.9101920 0.0512917 0.2635219 0.0710633 -1.4691743 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000013 (xxx) -0.00000013 (xxx) -0.00000013 (xxx) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 8 5 ] 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: 0.50, Number of G-points: 287, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/65) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 65 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 3.591 ( 0.000 0.000 0.000) 0.000 3.692 ( 0.000 0.000 0.000) 0.000 3.828 ( 0.000 0.000 0.000) 0.000 3.899 ( 0.000 0.000 0.000) 0.000 3.936 ( 0.000 0.000 0.000) 0.000 4.172 ( 0.000 0.000 0.000) 0.000 4.178 ( 0.000 0.000 0.000) 0.000 4.382 ( 0.000 0.000 0.000) 0.000 4.456 ( 0.000 0.000 0.000) 0.000 4.457 ( 0.000 0.000 0.000) 0.000 4.554 ( 0.000 0.000 0.000) 0.000 4.661 ( 0.000 0.000 0.000) 0.000 5.159 ( 0.000 0.000 0.000) 0.000 5.498 ( 0.000 0.000 0.000) 0.000 5.557 ( 0.000 0.000 0.000) 0.000 5.608 ( 0.000 0.000 0.000) 0.000 5.672 ( 0.000 0.000 0.000) 0.000 5.726 ( 0.000 0.000 0.000) 0.000 5.861 ( 0.000 0.000 0.000) 0.000 5.881 ( 0.000 0.000 0.000) 0.000 6.185 ( 0.000 0.000 0.000) 0.000 6.327 ( 0.000 0.000 0.000) 0.000 6.355 ( 0.000 0.000 0.000) 0.000 6.455 ( 0.000 0.000 0.000) 0.000 6.470 ( 0.000 0.000 0.000) 0.000 6.519 ( 0.000 0.000 0.000) 0.000 6.630 ( 0.000 0.000 0.000) 0.000 6.758 ( 0.000 0.000 0.000) 0.000 6.857 ( 0.000 0.000 0.000) 0.000 6.859 ( 0.000 0.000 0.000) 0.000 7.133 ( 0.000 0.000 0.000) 0.000 7.240 ( 0.000 0.000 0.000) 0.000 7.369 ( 0.000 0.000 0.000) 0.000 7.395 ( 0.000 0.000 0.000) 0.000 7.406 ( 0.000 0.000 0.000) 0.000 7.511 ( 0.000 0.000 0.000) 0.000 7.680 ( 0.000 0.000 0.000) 0.000 7.772 ( 0.000 0.000 0.000) 0.000 7.927 ( 0.000 0.000 0.000) 0.000 8.020 ( 0.000 0.000 0.000) 0.000 8.102 ( 0.000 0.000 0.000) 0.000 8.131 ( 0.000 0.000 0.000) 0.000 8.294 ( 0.000 0.000 0.000) 0.000 8.450 ( 0.000 0.000 0.000) 0.000 8.519 ( 0.000 0.000 0.000) 0.000 8.726 ( 0.000 0.000 0.000) 0.000 8.774 ( 0.000 0.000 0.000) 0.000 8.824 ( 0.000 0.000 0.000) 0.000 8.890 ( 0.000 0.000 0.000) 0.000 8.970 ( 0.000 0.000 0.000) 0.000 9.126 ( 0.000 0.000 0.000) 0.000 9.196 ( 0.000 0.000 0.000) 0.000 9.272 ( 0.000 0.000 0.000) 0.000 9.308 ( 0.000 0.000 0.000) 0.000 9.324 ( 0.000 0.000 0.000) 0.000 9.432 ( 0.000 0.000 0.000) 0.000 9.546 ( 0.000 0.000 0.000) 0.000 9.682 ( 0.000 0.000 0.000) 0.000 9.683 ( 0.000 0.000 0.000) 0.000 9.882 ( 0.000 0.000 0.000) 0.000 9.924 ( 0.000 0.000 0.000) 0.000 9.961 ( 0.000 0.000 0.000) 0.000 10.022 ( 0.000 0.000 0.000) 0.000 10.220 ( 0.000 0.000 0.000) 0.000 10.225 ( 0.000 0.000 0.000) 0.000 10.336 ( 0.000 0.000 0.000) 0.000 10.398 ( 0.000 0.000 0.000) 0.000 10.658 ( 0.000 0.000 0.000) 0.000 10.856 ( 0.000 0.000 0.000) 0.000 10.858 ( 0.000 0.000 0.000) 0.000 10.871 ( 0.000 0.000 0.000) 0.000 10.902 ( 0.000 0.000 0.000) 0.000 11.000 ( 0.000 0.000 0.000) 0.000 11.052 ( 0.000 0.000 0.000) 0.000 11.172 ( 0.000 0.000 0.000) 0.000 11.237 ( 0.000 0.000 0.000) 0.000 11.469 ( 0.000 0.000 0.000) 0.000 11.502 ( 0.000 0.000 0.000) 0.000 11.511 ( 0.000 0.000 0.000) 0.000 11.521 ( 0.000 0.000 0.000) 0.000 11.686 ( 0.000 0.000 0.000) 0.000 11.704 ( 0.000 0.000 0.000) 0.000 11.748 ( 0.000 0.000 0.000) 0.000 11.869 ( 0.000 0.000 0.000) 0.000 11.965 ( 0.000 0.000 0.000) 0.000 12.097 ( 0.000 0.000 0.000) 0.000 12.112 ( 0.000 0.000 0.000) 0.000 12.112 ( 0.000 0.000 0.000) 0.000 12.125 ( 0.000 0.000 0.000) 0.000 12.375 ( 0.000 0.000 0.000) 0.000 12.433 ( 0.000 0.000 0.000) 0.000 12.444 ( 0.000 0.000 0.000) 0.000 12.510 ( 0.000 0.000 0.000) 0.000 12.512 ( 0.000 0.000 0.000) 0.000 12.672 ( 0.000 0.000 0.000) 0.000 12.689 ( 0.000 0.000 0.000) 0.000 12.732 ( 0.000 0.000 0.000) 0.000 12.742 ( 0.000 0.000 0.000) 0.000 12.850 ( 0.000 0.000 0.000) 0.000 12.866 ( 0.000 0.000 0.000) 0.000 12.977 ( 0.000 0.000 0.000) 0.000 13.286 ( 0.000 0.000 0.000) 0.000 13.327 ( 0.000 0.000 0.000) 0.000 13.453 ( 0.000 0.000 0.000) 0.000 13.512 ( 0.000 0.000 0.000) 0.000 13.748 ( 0.000 0.000 0.000) 0.000 13.769 ( 0.000 0.000 0.000) 0.000 13.935 ( 0.000 0.000 0.000) 0.000 14.059 ( 0.000 0.000 0.000) 0.000 14.099 ( 0.000 0.000 0.000) 0.000 14.177 ( 0.000 0.000 0.000) 0.000 14.287 ( 0.000 0.000 0.000) 0.000 14.410 ( 0.000 0.000 0.000) 0.000 14.497 ( 0.000 0.000 0.000) 0.000 14.562 ( 0.000 0.000 0.000) 0.000 14.584 ( 0.000 0.000 0.000) 0.000 14.614 ( 0.000 0.000 0.000) 0.000 14.697 ( 0.000 0.000 0.000) 0.000 15.108 ( 0.000 0.000 0.000) 0.000 15.481 ( 0.000 0.000 0.000) 0.000 15.569 ( 0.000 0.000 0.000) 0.000 15.605 ( 0.000 0.000 0.000) 0.000 15.742 ( 0.000 0.000 0.000) 0.000 15.964 ( 0.000 0.000 0.000) 0.000 16.169 ( 0.000 0.000 0.000) 0.000 16.221 ( 0.000 0.000 0.000) 0.000 16.310 ( 0.000 0.000 0.000) 0.000 16.323 ( 0.000 0.000 0.000) 0.000 16.412 ( 0.000 0.000 0.000) 0.000 16.428 ( 0.000 0.000 0.000) 0.000 16.740 ( 0.000 0.000 0.000) 0.000 16.743 ( 0.000 0.000 0.000) 0.000 16.886 ( 0.000 0.000 0.000) 0.000 17.111 ( 0.000 0.000 0.000) 0.000 17.154 ( 0.000 0.000 0.000) 0.000 17.190 ( 0.000 0.000 0.000) 0.000 17.243 ( 0.000 0.000 0.000) 0.000 17.314 ( 0.000 0.000 0.000) 0.000 17.645 ( 0.000 0.000 0.000) 0.000 17.798 ( 0.000 0.000 0.000) 0.000 17.924 ( 0.000 0.000 0.000) 0.000 17.930 ( 0.000 0.000 0.000) 0.000 18.498 ( 0.000 0.000 0.000) 0.000 19.383 ( 0.000 0.000 0.000) 0.000 19.542 ( 0.000 0.000 0.000) 0.000 19.717 ( 0.000 0.000 0.000) 0.000 21.789 ( 0.000 0.000 0.000) 0.000 21.982 ( 0.000 0.000 0.000) 0.000 22.637 ( 0.000 0.000 0.000) 0.000 23.176 ( 0.000 0.000 0.000) 0.000 23.827 ( 0.000 0.000 0.000) 0.000 23.836 ( 0.000 0.000 0.000) 0.000 23.938 ( 0.000 0.000 0.000) 0.000 24.115 ( 0.000 0.000 0.000) 0.000 24.402 ( 0.000 0.000 0.000) 0.000 24.585 ( 0.000 0.000 0.000) 0.000 24.794 ( 0.000 0.000 0.000) 0.000 24.854 ( 0.000 0.000 0.000) 0.000 24.945 ( 0.000 0.000 0.000) 0.000 25.000 ( 0.000 0.000 0.000) 0.000 25.389 ( 0.000 0.000 0.000) 0.000 25.853 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/65) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( 28.126 0.000 23.182) 36.448 0.902 ( 41.237 0.000 6.548) 41.754 1.633 ( 69.391 0.000 25.150) 73.808 3.332 ( -27.536 0.000 -7.416) 28.517 3.503 ( -25.231 0.000 -15.942) 29.845 3.631 ( 4.015 0.000 -7.516) 8.521 3.814 ( 10.641 0.000 -3.257) 11.129 4.026 ( 4.655 0.000 2.684) 5.373 4.291 ( 11.826 0.000 -7.568) 14.040 4.315 ( -10.796 0.000 11.126) 15.503 4.403 ( 9.744 0.000 4.068) 10.559 4.457 ( 0.305 0.000 16.806) 16.809 4.659 ( 9.970 0.000 4.852) 11.088 4.667 ( 7.495 0.000 -3.662) 8.342 4.741 ( 5.304 0.000 2.537) 5.880 5.155 ( -0.453 0.000 0.490) 0.668 5.412 ( -18.507 0.000 -7.045) 19.803 5.467 ( -1.297 0.000 -0.847) 1.550 5.599 ( 2.017 0.000 2.737) 3.400 5.706 ( 1.451 0.000 -2.696) 3.062 5.723 ( -1.726 0.000 -0.164) 1.734 5.868 ( 1.996 0.000 -0.726) 2.124 5.938 ( 3.748 0.000 1.125) 3.913 6.145 ( -0.141 0.000 -3.014) 3.018 6.400 ( 2.201 0.000 5.690) 6.101 6.406 ( -13.311 0.000 -0.191) 13.312 6.458 ( 1.829 0.000 -7.359) 7.583 6.513 ( 4.660 0.000 0.528) 4.690 6.522 ( -1.759 0.000 7.402) 7.608 6.646 ( 11.944 0.000 -1.261) 12.010 6.707 ( 1.767 0.000 6.638) 6.869 6.759 ( -5.950 0.000 1.007) 6.035 6.923 ( 2.903 0.000 1.192) 3.138 6.991 ( -9.906 0.000 -8.800) 13.250 7.191 ( -3.689 0.000 1.596) 4.020 7.206 ( -7.152 0.000 -11.013) 13.132 7.367 ( -2.233 0.000 -4.517) 5.039 7.418 ( -11.316 0.000 6.406) 13.003 7.515 ( -2.232 0.000 -8.483) 8.772 7.740 ( -2.068 0.000 7.536) 7.814 7.762 ( -5.120 0.000 -0.591) 5.154 7.778 ( -17.104 0.000 -7.135) 18.532 7.925 ( 2.210 0.000 -2.830) 3.591 8.071 ( -5.639 0.000 -2.765) 6.280 8.180 ( 6.106 0.000 -7.345) 9.552 8.272 ( 0.650 0.000 5.524) 5.562 8.272 ( -4.833 0.000 -3.272) 5.837 8.448 ( -3.187 0.000 -1.323) 3.450 8.825 ( -8.424 0.000 -7.313) 11.156 8.846 ( -6.023 0.000 11.641) 13.107 8.960 ( 5.593 0.000 6.133) 8.300 8.988 ( -2.654 0.000 0.407) 2.686 9.113 ( 1.739 0.000 10.272) 10.418 9.138 ( -5.928 0.000 -8.196) 10.115 9.138 ( 13.363 0.000 0.282) 13.366 9.243 ( 5.395 0.000 -0.395) 5.410 9.285 ( 8.770 0.000 -10.722) 13.852 9.367 ( -0.430 0.000 9.256) 9.266 9.512 ( -0.411 0.000 -1.797) 1.844 9.744 ( 4.456 0.000 2.770) 5.247 9.780 ( -1.773 0.000 15.858) 15.957 9.931 ( -4.579 0.000 7.231) 8.559 9.942 ( 8.029 0.000 3.397) 8.718 9.961 ( 4.659 0.000 -5.668) 7.337 10.109 ( -4.870 0.000 2.801) 5.618 10.160 ( 12.953 0.000 -12.165) 17.770 10.360 ( -0.003 0.000 5.773) 5.773 10.387 ( 10.076 0.000 2.053) 10.283 10.424 ( 1.271 0.000 2.914) 3.179 10.529 ( 4.034 0.000 15.152) 15.679 10.811 ( -1.064 0.000 -2.536) 2.751 10.828 ( -0.799 0.000 -11.331) 11.359 10.903 ( -7.532 0.000 5.226) 9.167 10.921 ( 1.136 0.000 3.707) 3.877 10.957 ( 0.176 0.000 -2.299) 2.306 10.973 ( 5.097 0.000 1.058) 5.205 11.072 ( 4.648 0.000 3.379) 5.747 11.228 ( -0.532 0.000 4.550) 4.581 11.273 ( -0.402 0.000 -28.556) 28.559 11.366 ( 0.417 0.000 -5.913) 5.927 11.431 ( -3.388 0.000 -4.756) 5.840 11.502 ( -2.675 0.000 1.786) 3.216 11.518 ( -6.573 0.000 -9.656) 11.681 11.583 ( 1.128 0.000 5.480) 5.595 11.712 ( -1.423 0.000 -1.018) 1.750 11.809 ( 3.971 0.000 0.048) 3.972 11.875 ( -4.291 0.000 1.529) 4.555 11.903 ( -2.993 0.000 -5.884) 6.602 11.957 ( -1.404 0.000 -3.586) 3.851 12.050 ( -4.977 0.000 -1.403) 5.171 12.249 ( 2.966 0.000 0.462) 3.002 12.289 ( -2.650 0.000 0.110) 2.652 12.311 ( -6.519 0.000 -2.805) 7.097 12.352 ( -7.848 0.000 15.375) 17.263 12.460 ( 5.507 0.000 -8.723) 10.316 12.566 ( 1.056 0.000 1.904) 2.177 12.578 ( 0.444 0.000 -2.609) 2.646 12.718 ( 2.291 0.000 4.533) 5.079 12.785 ( 0.442 0.000 6.669) 6.683 12.801 ( 2.262 0.000 -6.547) 6.927 12.823 ( 4.734 0.000 2.628) 5.414 12.893 ( -0.336 0.000 1.819) 1.850 12.895 ( 2.404 0.000 0.261) 2.418 13.111 ( 0.910 0.000 -0.155) 0.923 13.312 ( 2.788 0.000 -0.617) 2.855 13.425 ( 7.802 0.000 2.391) 8.160 13.464 ( -0.626 0.000 -4.655) 4.697 13.732 ( -2.061 0.000 -1.718) 2.683 13.782 ( 2.076 0.000 1.968) 2.860 13.810 ( -7.850 0.000 -1.785) 8.051 14.044 ( -0.138 0.000 -0.490) 0.509 14.077 ( -12.481 0.000 8.650) 15.186 14.090 ( 0.309 0.000 -2.183) 2.204 14.188 ( -6.791 0.000 10.914) 12.854 14.209 ( 1.662 0.000 2.149) 2.716 14.374 ( -6.721 0.000 6.392) 9.275 14.596 ( -1.651 0.000 1.045) 1.953 14.605 ( 5.998 0.000 0.587) 6.027 14.747 ( 8.724 0.000 -6.328) 10.778 14.785 ( 5.652 0.000 5.234) 7.703 14.859 ( 5.432 0.000 8.241) 9.870 15.186 ( 5.955 0.000 -0.352) 5.965 15.276 ( -10.785 0.000 -7.281) 13.013 15.625 ( 1.662 0.000 -1.235) 2.071 15.639 ( 1.686 0.000 0.889) 1.905 15.743 ( -0.495 0.000 -2.446) 2.496 15.985 ( -3.152 0.000 0.084) 3.153 16.182 ( -7.790 0.000 -3.170) 8.410 16.229 ( 0.382 0.000 3.008) 3.032 16.322 ( 5.279 0.000 4.367) 6.851 16.451 ( 1.188 0.000 0.563) 1.315 16.460 ( 0.691 0.000 -3.529) 3.596 16.744 ( 0.108 0.000 -0.175) 0.206 16.756 ( 0.257 0.000 5.553) 5.559 16.824 ( -0.613 0.000 3.968) 4.015 16.896 ( -1.075 0.000 4.911) 5.028 17.116 ( 0.657 0.000 0.234) 0.697 17.144 ( -0.365 0.000 -1.110) 1.169 17.198 ( 0.511 0.000 -0.840) 0.984 17.275 ( -3.687 0.000 -1.756) 4.084 17.556 ( 1.719 0.000 -9.196) 9.356 17.795 ( 10.593 0.000 -2.113) 10.801 17.804 ( 0.633 0.000 -0.252) 0.681 17.917 ( -1.486 0.000 3.652) 3.943 18.020 ( 6.727 0.000 -7.662) 10.196 19.388 ( 0.297 0.000 -0.608) 0.677 19.517 ( -2.292 0.000 -0.559) 2.359 19.625 ( -8.321 0.000 1.789) 8.511 20.846 ( 0.110 0.000 -2.461) 2.463 21.793 ( 0.228 0.000 0.449) 0.504 22.004 ( 0.826 0.000 -1.784) 1.966 22.619 ( -0.628 0.000 -2.374) 2.456 23.565 ( 2.469 0.000 -6.806) 7.240 23.832 ( -2.107 0.000 4.376) 4.857 23.845 ( -4.708 0.000 12.012) 12.902 23.939 ( 0.142 0.000 0.012) 0.143 24.114 ( -0.066 0.000 -0.016) 0.068 24.403 ( 0.065 0.000 0.014) 0.066 24.584 ( -0.125 0.000 -0.024) 0.128 24.850 ( -1.120 0.000 2.150) 2.424 24.866 ( 3.613 0.000 -10.599) 11.198 24.951 ( 0.411 0.000 0.320) 0.521 25.148 ( 2.117 0.000 -4.463) 4.940 25.753 ( -1.556 0.000 2.887) 3.280 25.866 ( -0.013 0.000 2.868) 2.868 ======================= Grid point 2 (3/65) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( 18.299 0.000 14.522) 23.361 1.754 ( 36.071 0.000 6.334) 36.623 2.647 ( -32.101 0.000 -6.484) 32.750 2.890 ( -17.159 0.000 -14.460) 22.439 3.171 ( 60.037 0.000 24.487) 64.839 3.673 ( 4.038 0.000 -5.714) 6.997 3.991 ( 6.790 0.000 -3.326) 7.561 4.124 ( 7.260 0.000 -11.429) 13.540 4.189 ( -11.468 0.000 20.031) 23.082 4.382 ( 0.696 0.000 2.979) 3.059 4.526 ( -34.572 0.000 -12.791) 36.862 4.576 ( 3.812 0.000 1.451) 4.079 4.756 ( 2.923 0.000 -1.646) 3.355 4.793 ( -2.262 0.000 2.411) 3.306 4.811 ( 4.072 0.000 -3.026) 5.074 4.888 ( 2.941 0.000 3.331) 4.444 5.153 ( -0.173 0.000 0.466) 0.497 5.480 ( 2.481 0.000 3.065) 3.943 5.609 ( -5.329 0.000 -6.256) 8.218 5.667 ( -4.527 0.000 6.820) 8.185 5.720 ( 7.236 0.000 -0.254) 7.241 5.970 ( -2.187 0.000 -2.391) 3.241 5.992 ( 8.696 0.000 0.220) 8.699 6.097 ( -6.359 0.000 -2.207) 6.731 6.131 ( -1.337 0.000 -1.968) 2.379 6.407 ( -4.658 0.000 1.465) 4.883 6.521 ( -2.485 0.000 9.057) 9.392 6.588 ( 5.629 0.000 -7.085) 9.049 6.613 ( 4.694 0.000 2.036) 5.117 6.702 ( -1.431 0.000 2.901) 3.234 6.705 ( -7.529 0.000 -4.556) 8.800 6.803 ( -0.899 0.000 2.370) 2.535 6.870 ( 4.840 0.000 0.432) 4.859 6.984 ( 2.783 0.000 0.439) 2.817 7.060 ( -1.683 0.000 0.764) 1.848 7.211 ( 7.707 0.000 -1.704) 7.893 7.220 ( -6.999 0.000 -5.076) 8.646 7.304 ( -4.774 0.000 -3.942) 6.192 7.316 ( 1.203 0.000 -2.068) 2.393 7.490 ( -14.722 0.000 -3.117) 15.048 7.592 ( -0.404 0.000 -1.056) 1.131 7.775 ( -1.385 0.000 5.308) 5.486 7.899 ( -7.344 0.000 -1.770) 7.555 8.021 ( 3.826 0.000 1.829) 4.241 8.123 ( -3.221 0.000 -5.185) 6.104 8.303 ( 5.131 0.000 -2.621) 5.762 8.375 ( 2.498 0.000 -3.939) 4.664 8.433 ( 2.737 0.000 7.501) 7.984 8.542 ( -7.829 0.000 -4.254) 8.910 8.688 ( -11.124 0.000 4.458) 11.984 8.880 ( -4.735 0.000 -0.572) 4.770 8.974 ( -3.979 0.000 1.457) 4.237 9.088 ( 2.814 0.000 -4.535) 5.338 9.088 ( -2.216 0.000 2.905) 3.654 9.329 ( 1.897 0.000 0.693) 2.019 9.361 ( 11.187 0.000 -7.679) 13.569 9.443 ( 1.705 0.000 6.702) 6.915 9.500 ( 0.121 0.000 -1.321) 1.327 9.644 ( 12.200 0.000 0.767) 12.224 9.790 ( -7.404 0.000 9.031) 11.678 9.829 ( 0.946 0.000 -0.370) 1.016 9.927 ( 0.370 0.000 4.870) 4.884 9.973 ( 0.123 0.000 -3.185) 3.187 10.142 ( 4.096 0.000 2.292) 4.694 10.197 ( 13.372 0.000 11.885) 17.891 10.297 ( 8.252 0.000 -9.181) 12.344 10.367 ( -3.075 0.000 4.697) 5.614 10.483 ( 0.290 0.000 4.313) 4.323 10.515 ( -1.565 0.000 -7.534) 7.694 10.602 ( -7.430 0.000 -2.376) 7.801 10.774 ( 6.536 0.000 4.081) 7.705 10.805 ( 1.791 0.000 -0.133) 1.796 10.835 ( -2.173 0.000 11.054) 11.266 10.959 ( -1.334 0.000 3.685) 3.919 10.966 ( -6.731 0.000 -16.697) 18.002 11.005 ( 3.870 0.000 0.466) 3.898 11.029 ( -0.566 0.000 -2.244) 2.314 11.149 ( -4.248 0.000 -5.215) 6.726 11.262 ( 5.628 0.000 4.454) 7.177 11.316 ( -2.733 0.000 -1.867) 3.310 11.405 ( 1.353 0.000 1.070) 1.725 11.415 ( -0.878 0.000 -3.515) 3.624 11.484 ( 6.926 0.000 -5.219) 8.673 11.618 ( -5.229 0.000 3.079) 6.068 11.720 ( -1.359 0.000 5.558) 5.722 11.764 ( -3.104 0.000 0.034) 3.104 11.781 ( 1.276 0.000 -10.743) 10.818 11.853 ( 1.055 0.000 0.058) 1.056 11.882 ( -8.012 0.000 0.619) 8.036 11.958 ( -0.248 0.000 -1.450) 1.471 12.203 ( -1.791 0.000 0.190) 1.801 12.205 ( -2.680 0.000 -0.840) 2.809 12.273 ( -0.072 0.000 -0.760) 0.763 12.339 ( -2.953 0.000 4.133) 5.080 12.475 ( 2.185 0.000 -5.180) 5.622 12.547 ( -0.720 0.000 -2.224) 2.338 12.588 ( 0.415 0.000 0.298) 0.511 12.716 ( -1.450 0.000 1.336) 1.971 12.764 ( -2.055 0.000 -4.071) 4.560 12.789 ( 1.040 0.000 2.714) 2.906 12.911 ( 1.439 0.000 3.213) 3.520 12.939 ( 1.723 0.000 -2.035) 2.666 13.130 ( 9.071 0.000 12.801) 15.689 13.148 ( 0.763 0.000 2.609) 2.719 13.373 ( 2.434 0.000 -0.234) 2.446 13.388 ( -3.686 0.000 -7.167) 8.060 13.572 ( 4.102 0.000 -2.313) 4.709 13.676 ( -2.724 0.000 -0.836) 2.849 13.689 ( -0.853 0.000 -0.536) 1.008 13.835 ( 1.144 0.000 1.218) 1.671 13.947 ( -1.813 0.000 2.362) 2.977 14.049 ( -3.718 0.000 -3.341) 4.998 14.087 ( -1.313 0.000 4.959) 5.129 14.090 ( 1.069 0.000 -1.661) 1.976 14.245 ( 0.032 0.000 1.387) 1.387 14.332 ( -2.224 0.000 0.412) 2.262 14.596 ( 0.716 0.000 1.914) 2.044 14.641 ( -0.509 0.000 0.280) 0.581 14.891 ( 6.765 0.000 -1.952) 7.041 14.941 ( 4.302 0.000 3.405) 5.487 15.001 ( 0.948 0.000 5.721) 5.799 15.026 ( -7.099 0.000 -4.506) 8.408 15.306 ( 5.050 0.000 -0.125) 5.051 15.646 ( -0.569 0.000 -0.253) 0.623 15.660 ( -4.554 0.000 2.427) 5.160 15.697 ( 4.749 0.000 -5.417) 7.204 15.854 ( -5.165 0.000 0.134) 5.167 16.018 ( -4.227 0.000 -2.329) 4.826 16.338 ( -0.564 0.000 8.090) 8.109 16.428 ( 2.392 0.000 -5.712) 6.193 16.449 ( 3.555 0.000 0.652) 3.615 16.463 ( -0.570 0.000 2.217) 2.289 16.744 ( 0.000 0.000 -0.130) 0.130 16.816 ( 0.233 0.000 4.635) 4.641 16.835 ( 0.873 0.000 -1.938) 2.125 16.952 ( 4.889 0.000 3.003) 5.738 17.127 ( -4.278 0.000 -5.595) 7.043 17.143 ( 1.414 0.000 0.926) 1.690 17.144 ( -3.541 0.000 2.841) 4.540 17.183 ( -0.994 0.000 -1.593) 1.877 17.543 ( 0.756 0.000 -1.957) 2.098 17.815 ( 0.455 0.000 -0.101) 0.466 17.906 ( 0.887 0.000 -0.773) 1.177 17.978 ( 1.335 0.000 7.427) 7.546 18.110 ( 7.849 0.000 -9.142) 12.050 19.346 ( -4.439 0.000 -0.514) 4.469 19.427 ( -3.327 0.000 1.274) 3.562 19.536 ( -0.747 0.000 -0.277) 0.796 20.830 ( -0.296 0.000 -0.601) 0.670 21.802 ( 0.200 0.000 0.317) 0.375 22.010 ( 0.400 0.000 -0.372) 0.547 22.588 ( -0.489 0.000 -1.536) 1.612 23.563 ( 0.631 0.000 -1.896) 1.998 23.823 ( -1.179 0.000 2.205) 2.500 23.844 ( -0.663 0.000 1.733) 1.856 23.942 ( 0.089 0.000 0.007) 0.089 24.113 ( -0.040 0.000 -0.009) 0.041 24.404 ( 0.040 0.000 0.007) 0.040 24.581 ( -0.078 0.000 -0.014) 0.079 24.845 ( -0.862 0.000 1.985) 2.164 24.856 ( 1.214 0.000 -4.055) 4.233 24.962 ( 0.264 0.000 0.197) 0.330 25.155 ( 0.773 0.000 -1.361) 1.565 25.744 ( -0.465 0.000 0.515) 0.693 25.886 ( -0.017 0.000 1.685) 1.685 ======================= Grid point 5 (4/65) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( 0.000 39.443 0.000) 39.443 0.954 ( 0.000 45.923 0.000) 45.923 1.538 ( 0.000 72.512 0.000) 72.512 3.715 ( 0.000 5.403 0.000) 5.403 3.744 ( 0.000 10.581 0.000) 10.581 3.965 ( 0.000 11.250 0.000) 11.250 3.965 ( 0.000 5.694 0.000) 5.694 4.054 ( 0.000 -1.742 0.000) 1.742 4.136 ( 0.000 17.331 0.000) 17.331 4.360 ( 0.000 1.914 0.000) 1.914 4.410 ( 0.000 12.152 0.000) 12.152 4.490 ( 0.000 3.748 0.000) 3.748 4.623 ( 0.000 4.615 0.000) 4.615 4.644 ( 0.000 6.743 0.000) 6.743 4.731 ( 0.000 13.340 0.000) 13.340 5.241 ( 0.000 4.519 0.000) 4.519 5.449 ( 0.000 -15.528 0.000) 15.528 5.519 ( 0.000 -8.433 0.000) 8.433 5.572 ( 0.000 5.100 0.000) 5.100 5.628 ( 0.000 2.842 0.000) 2.842 5.796 ( 0.000 9.568 0.000) 9.568 5.889 ( 0.000 1.503 0.000) 1.503 6.027 ( 0.000 11.335 0.000) 11.335 6.221 ( 0.000 -6.641 0.000) 6.641 6.237 ( 0.000 2.874 0.000) 2.874 6.318 ( 0.000 0.425 0.000) 0.425 6.395 ( 0.000 -5.198 0.000) 5.198 6.484 ( 0.000 -8.755 0.000) 8.755 6.618 ( 0.000 6.075 0.000) 6.075 6.625 ( 0.000 1.853 0.000) 1.853 6.708 ( 0.000 8.164 0.000) 8.164 6.948 ( 0.000 5.499 0.000) 5.499 7.004 ( 0.000 4.787 0.000) 4.787 7.154 ( 0.000 2.211 0.000) 2.211 7.157 ( 0.000 -14.845 0.000) 14.845 7.277 ( 0.000 -3.942 0.000) 3.942 7.399 ( 0.000 9.549 0.000) 9.549 7.521 ( 0.000 4.306 0.000) 4.306 7.528 ( 0.000 0.700 0.000) 0.700 7.681 ( 0.000 2.272 0.000) 2.272 7.833 ( 0.000 0.644 0.000) 0.644 7.964 ( 0.000 -1.267 0.000) 1.267 7.965 ( 0.000 1.087 0.000) 1.087 8.070 ( 0.000 0.183 0.000) 0.183 8.197 ( 0.000 -0.621 0.000) 0.621 8.227 ( 0.000 -3.352 0.000) 3.352 8.461 ( 0.000 -0.304 0.000) 0.304 8.491 ( 0.000 5.836 0.000) 5.836 8.706 ( 0.000 -11.106 0.000) 11.106 8.795 ( 0.000 -1.758 0.000) 1.758 8.849 ( 0.000 -11.644 0.000) 11.644 8.880 ( 0.000 9.011 0.000) 9.011 8.968 ( 0.000 0.173 0.000) 0.173 8.995 ( 0.000 -2.536 0.000) 2.536 9.080 ( 0.000 -4.521 0.000) 4.521 9.301 ( 0.000 1.599 0.000) 1.599 9.338 ( 0.000 1.215 0.000) 1.215 9.428 ( 0.000 0.763 0.000) 0.763 9.503 ( 0.000 5.681 0.000) 5.681 9.563 ( 0.000 0.995 0.000) 0.995 9.753 ( 0.000 3.461 0.000) 3.461 9.807 ( 0.000 -3.343 0.000) 3.343 9.812 ( 0.000 3.356 0.000) 3.356 9.934 ( 0.000 5.899 0.000) 5.899 10.006 ( 0.000 -0.250 0.000) 0.250 10.166 ( 0.000 12.116 0.000) 12.116 10.244 ( 0.000 3.912 0.000) 3.912 10.271 ( 0.000 4.388 0.000) 4.388 10.511 ( 0.000 10.961 0.000) 10.961 10.566 ( 0.000 7.925 0.000) 7.925 10.701 ( 0.000 4.877 0.000) 4.877 10.821 ( 0.000 -1.178 0.000) 1.178 10.872 ( 0.000 -2.598 0.000) 2.598 10.938 ( 0.000 -8.412 0.000) 8.412 10.961 ( 0.000 7.469 0.000) 7.469 11.006 ( 0.000 -5.974 0.000) 5.974 11.064 ( 0.000 4.881 0.000) 4.881 11.135 ( 0.000 -4.150 0.000) 4.150 11.234 ( 0.000 0.184 0.000) 0.184 11.408 ( 0.000 -4.014 0.000) 4.014 11.424 ( 0.000 -3.132 0.000) 3.132 11.518 ( 0.000 1.562 0.000) 1.562 11.652 ( 0.000 0.967 0.000) 0.967 11.720 ( 0.000 0.912 0.000) 0.912 11.743 ( 0.000 -0.313 0.000) 0.313 11.834 ( 0.000 -2.440 0.000) 2.440 11.858 ( 0.000 -1.418 0.000) 1.418 11.946 ( 0.000 -3.330 0.000) 3.330 11.978 ( 0.000 -8.530 0.000) 8.530 12.076 ( 0.000 4.086 0.000) 4.086 12.119 ( 0.000 -3.190 0.000) 3.190 12.239 ( 0.000 -9.854 0.000) 9.854 12.299 ( 0.000 4.396 0.000) 4.396 12.395 ( 0.000 -0.819 0.000) 0.819 12.491 ( 0.000 2.172 0.000) 2.172 12.505 ( 0.000 -0.739 0.000) 0.739 12.569 ( 0.000 -2.471 0.000) 2.471 12.594 ( 0.000 -1.865 0.000) 1.865 12.635 ( 0.000 -5.672 0.000) 5.672 12.666 ( 0.000 -2.096 0.000) 2.096 12.879 ( 0.000 -0.516 0.000) 0.516 12.888 ( 0.000 3.237 0.000) 3.237 12.908 ( 0.000 -1.394 0.000) 1.394 13.069 ( 0.000 -0.078 0.000) 0.078 13.157 ( 0.000 -5.678 0.000) 5.678 13.437 ( 0.000 -1.419 0.000) 1.419 13.507 ( 0.000 -1.185 0.000) 1.185 13.667 ( 0.000 1.605 0.000) 1.605 13.718 ( 0.000 -2.899 0.000) 2.899 13.806 ( 0.000 -7.480 0.000) 7.480 13.903 ( 0.000 -2.310 0.000) 2.310 13.999 ( 0.000 -5.445 0.000) 5.445 14.146 ( 0.000 -2.808 0.000) 2.808 14.260 ( 0.000 -4.215 0.000) 4.215 14.415 ( 0.000 -0.579 0.000) 0.579 14.487 ( 0.000 -4.748 0.000) 4.748 14.491 ( 0.000 -0.675 0.000) 0.675 14.585 ( 0.000 1.987 0.000) 1.987 14.686 ( 0.000 6.058 0.000) 6.058 14.750 ( 0.000 4.315 0.000) 4.315 15.074 ( 0.000 -3.143 0.000) 3.143 15.473 ( 0.000 -8.461 0.000) 8.461 15.476 ( 0.000 -0.101 0.000) 0.101 15.574 ( 0.000 -1.209 0.000) 1.209 15.794 ( 0.000 4.647 0.000) 4.647 15.955 ( 0.000 -1.103 0.000) 1.103 16.097 ( 0.000 -8.903 0.000) 8.903 16.126 ( 0.000 -3.179 0.000) 3.179 16.249 ( 0.000 0.300 0.000) 0.300 16.296 ( 0.000 -1.440 0.000) 1.440 16.406 ( 0.000 2.262 0.000) 2.262 16.412 ( 0.000 5.400 0.000) 5.400 16.662 ( 0.000 -3.526 0.000) 3.526 16.750 ( 0.000 -0.917 0.000) 0.917 16.857 ( 0.000 0.486 0.000) 0.486 16.939 ( 0.000 4.948 0.000) 4.948 17.128 ( 0.000 -0.587 0.000) 0.587 17.158 ( 0.000 1.619 0.000) 1.619 17.243 ( 0.000 -3.712 0.000) 3.712 17.350 ( 0.000 -6.895 0.000) 6.895 17.362 ( 0.000 10.785 0.000) 10.785 17.780 ( 0.000 -5.058 0.000) 5.058 17.915 ( 0.000 -0.902 0.000) 0.902 18.105 ( 0.000 20.902 0.000) 20.902 18.459 ( 0.000 -3.662 0.000) 3.662 19.167 ( 0.000 1.984 0.000) 1.984 19.426 ( 0.000 3.360 0.000) 3.360 19.544 ( 0.000 0.526 0.000) 0.526 19.578 ( 0.000 -13.002 0.000) 13.002 21.795 ( 0.000 0.612 0.000) 0.612 22.006 ( 0.000 2.222 0.000) 2.222 22.599 ( 0.000 -3.459 0.000) 3.459 23.102 ( 0.000 -6.655 0.000) 6.655 23.781 ( 0.000 -2.810 0.000) 2.810 23.833 ( 0.000 -0.289 0.000) 0.289 24.036 ( 0.000 7.546 0.000) 7.546 24.348 ( 0.000 -1.938 0.000) 1.938 24.459 ( 0.000 5.150 0.000) 5.150 24.812 ( 0.000 1.576 0.000) 1.576 24.913 ( 0.000 3.023 0.000) 3.023 24.932 ( 0.000 0.608 0.000) 0.608 24.990 ( 0.000 -1.127 0.000) 1.127 25.377 ( 0.000 -0.971 0.000) 0.971 25.765 ( 0.000 -3.503 0.000) 3.503 25.901 ( 0.000 2.985 0.000) 2.985 ======================= Grid point 6 (5/65) ======================= q-point: ( 0.20 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( 16.195 33.254 18.887) 41.531 1.346 ( 29.508 29.170 13.017) 43.486 2.174 ( 49.269 47.545 11.502) 69.428 3.424 ( -26.482 7.535 -10.191) 29.359 3.632 ( -23.513 11.734 -12.062) 28.915 3.728 ( 3.266 8.908 -10.286) 13.994 3.840 ( 8.435 2.853 0.901) 8.950 4.182 ( 4.681 12.733 6.034) 14.847 4.317 ( 9.418 5.012 -6.563) 12.526 4.417 ( -4.724 4.837 8.186) 10.617 4.470 ( -0.857 9.516 8.177) 12.576 4.572 ( 4.942 7.523 8.287) 12.235 4.644 ( 9.247 1.327 4.293) 10.280 4.731 ( 5.359 -0.083 0.325) 5.369 4.841 ( 6.692 13.134 -1.676) 14.836 5.207 ( -3.864 4.001 -0.644) 5.600 5.465 ( -1.464 -3.699 -1.092) 4.126 5.485 ( -5.972 0.217 -2.072) 6.325 5.538 ( -4.723 -2.917 1.484) 5.746 5.623 ( 4.337 -0.403 1.920) 4.760 5.777 ( -0.060 5.927 -3.768) 7.024 5.916 ( -0.103 4.873 1.417) 5.076 6.064 ( 2.834 11.003 1.568) 11.470 6.184 ( -0.107 1.275 -0.843) 1.533 6.262 ( -10.494 -7.705 -1.245) 13.078 6.307 ( -2.905 -8.071 1.595) 8.725 6.438 ( 4.121 -0.844 -1.077) 4.342 6.460 ( 7.002 -3.250 6.471) 10.073 6.636 ( 1.837 7.359 1.413) 7.716 6.663 ( 5.027 2.444 1.956) 5.922 6.770 ( 3.463 4.113 1.388) 5.553 6.857 ( -10.140 5.422 1.057) 11.547 6.950 ( -6.100 -1.589 -3.448) 7.185 7.055 ( -0.206 8.890 -2.138) 9.145 7.186 ( 0.553 -3.381 -10.770) 11.302 7.250 ( -2.587 2.012 -0.866) 3.390 7.287 ( -2.310 -6.434 -7.396) 10.071 7.366 ( -8.673 -0.956 1.613) 8.873 7.487 ( -7.199 2.748 1.159) 7.792 7.622 ( -15.035 -0.861 -9.393) 17.749 7.721 ( -3.681 -1.918 3.823) 5.643 7.872 ( -7.809 -1.229 -2.206) 8.207 7.967 ( 7.872 -0.948 -5.148) 9.453 8.080 ( -1.719 1.263 -5.756) 6.139 8.140 ( 2.860 4.917 0.940) 5.766 8.305 ( -4.571 0.544 -6.052) 7.604 8.359 ( 1.033 2.494 -2.082) 3.409 8.503 ( -1.548 7.247 5.787) 9.402 8.709 ( -10.582 -12.316 3.919) 16.704 8.801 ( -1.070 -1.593 4.031) 4.464 8.905 ( 5.375 -7.704 -3.573) 10.050 8.975 ( -0.415 -0.323 3.431) 3.471 9.019 ( 1.467 -4.299 2.458) 5.165 9.056 ( 7.236 -1.987 0.708) 7.538 9.160 ( 6.203 1.607 1.935) 6.694 9.260 ( 4.388 6.089 3.719) 8.376 9.393 ( 0.625 4.000 4.167) 5.810 9.511 ( 2.071 8.485 -4.340) 9.753 9.531 ( 4.665 -0.105 -2.539) 5.312 9.719 ( -1.387 -0.836 5.888) 6.107 9.763 ( -3.578 -3.150 10.042) 11.116 9.828 ( 11.052 -13.985 7.319) 19.269 9.906 ( 3.856 -2.913 1.333) 5.013 9.980 ( 1.351 -0.700 -1.038) 1.842 10.061 ( 4.358 6.589 6.439) 10.191 10.171 ( 2.744 0.528 -0.288) 2.810 10.299 ( 6.448 3.403 -3.298) 8.002 10.391 ( 7.220 5.237 -1.256) 9.007 10.546 ( 0.485 8.574 4.473) 9.683 10.600 ( 3.610 4.801 4.092) 7.269 10.710 ( 1.577 3.621 -2.043) 4.447 10.832 ( -0.803 0.093 -0.253) 0.848 10.877 ( -4.245 -0.452 -2.886) 5.153 10.937 ( 2.743 -2.488 0.729) 3.774 10.963 ( -1.152 -7.313 -3.126) 8.036 11.004 ( -0.493 3.124 0.924) 3.295 11.062 ( 6.027 0.700 2.000) 6.389 11.098 ( -2.064 -1.760 -5.798) 6.401 11.230 ( -0.854 -1.417 2.665) 3.136 11.389 ( 2.675 1.063 -1.760) 3.374 11.433 ( -6.393 -1.085 4.579) 7.938 11.556 ( -1.429 2.559 -9.547) 9.987 11.561 ( -2.059 0.937 -0.176) 2.269 11.624 ( -2.542 3.252 -5.380) 6.781 11.680 ( -0.694 -1.330 -2.956) 3.315 11.778 ( -4.848 -5.089 -3.537) 7.869 11.822 ( -6.337 -3.613 0.489) 7.311 11.914 ( 2.983 2.786 -2.044) 4.565 11.990 ( -2.828 -5.594 -0.571) 6.294 12.094 ( -1.070 4.784 -0.373) 4.917 12.155 ( 0.815 -6.404 6.323) 9.036 12.218 ( -3.026 -6.364 1.527) 7.211 12.290 ( -1.158 -5.768 -8.422) 10.274 12.359 ( -4.355 -1.821 -3.914) 6.132 12.392 ( 2.661 5.034 1.571) 5.907 12.534 ( 3.087 -2.795 -7.141) 8.267 12.621 ( 5.725 -3.356 1.485) 6.800 12.652 ( 2.144 -1.936 -1.060) 3.077 12.718 ( 3.681 -2.345 7.704) 8.855 12.821 ( 5.566 0.082 8.222) 9.929 12.874 ( 1.350 -3.744 3.670) 5.414 12.902 ( 0.523 0.130 0.188) 0.571 12.956 ( 0.151 1.039 1.817) 2.099 13.069 ( -0.684 7.794 -1.393) 7.947 13.214 ( 6.915 -15.018 7.011) 17.959 13.439 ( -0.890 2.967 -0.261) 3.109 13.480 ( -0.434 0.533 -5.705) 5.747 13.640 ( -2.907 -7.856 0.934) 8.428 13.724 ( -1.835 -1.309 -1.235) 2.570 13.792 ( 1.356 -5.686 0.881) 5.912 13.850 ( -4.409 -0.714 2.750) 5.245 14.006 ( 1.468 -4.855 -3.771) 6.320 14.141 ( -2.378 -2.628 1.657) 3.912 14.236 ( -3.923 -2.185 1.050) 4.611 14.281 ( -4.504 2.921 -0.991) 5.459 14.417 ( -5.546 -4.585 2.908) 7.761 14.546 ( 1.036 -0.198 2.804) 2.996 14.645 ( 3.075 1.452 0.205) 3.407 14.772 ( 6.013 -0.002 4.791) 7.688 14.875 ( 8.823 6.203 3.407) 11.310 15.106 ( 0.903 -3.904 -3.506) 5.324 15.296 ( -18.756 17.122 -0.392) 25.399 15.362 ( -9.861 9.732 -5.456) 14.890 15.533 ( 0.768 -2.655 -5.888) 6.505 15.654 ( 1.024 -0.303 1.296) 1.680 15.770 ( -2.037 2.900 -1.056) 3.698 16.013 ( -2.637 3.836 -0.102) 4.656 16.158 ( -0.358 -5.430 4.712) 7.199 16.170 ( -1.891 -10.417 -3.043) 11.016 16.321 ( -1.404 -1.806 -1.849) 2.942 16.335 ( -1.278 1.879 0.455) 2.317 16.475 ( 3.874 1.720 0.410) 4.258 16.664 ( -1.151 -1.497 0.495) 1.952 16.772 ( -0.837 -0.404 2.647) 2.805 16.883 ( 1.653 -3.403 4.964) 6.242 16.960 ( 0.390 5.151 2.225) 5.624 17.047 ( -1.042 -1.654 -3.388) 3.911 17.127 ( -0.104 -0.205 0.091) 0.247 17.236 ( -2.744 -2.992 -1.513) 4.332 17.284 ( 0.129 7.629 0.713) 7.663 17.538 ( 7.267 -3.656 -5.690) 9.927 17.647 ( -6.912 -0.648 3.862) 7.944 17.943 ( -0.030 0.433 4.125) 4.148 18.161 ( 5.256 14.836 -8.846) 18.055 18.240 ( 2.947 20.995 -2.908) 21.399 19.379 ( -0.825 -2.127 -1.203) 2.579 19.470 ( -4.953 -6.293 1.057) 8.078 19.548 ( -2.359 -4.509 1.507) 5.307 20.049 ( 25.580 -43.127 2.834) 50.223 21.792 ( -0.201 0.352 0.425) 0.588 22.020 ( 1.066 2.016 -0.726) 2.393 22.581 ( -0.795 -3.481 -2.037) 4.110 23.287 ( 9.635 -12.974 4.440) 16.759 23.776 ( -0.471 -2.806 0.164) 2.849 23.835 ( -0.079 -0.392 0.626) 0.743 24.041 ( 0.167 7.614 0.705) 7.648 24.323 ( -2.214 1.455 0.190) 2.656 24.459 ( 0.073 5.123 -0.090) 5.124 24.792 ( -3.811 7.007 4.807) 9.313 24.896 ( -1.848 4.932 -0.910) 5.345 24.923 ( -0.294 -0.436 -0.865) 1.012 24.978 ( 0.006 4.314 -1.867) 4.700 25.195 ( -4.988 6.643 -10.298) 13.231 25.703 ( -3.693 -3.524 2.003) 5.483 25.865 ( -0.241 0.628 1.090) 1.281 ======================= Grid point 7 (6/65) ======================= q-point: ( 0.40 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( 16.812 23.121 14.746) 32.167 2.064 ( 31.974 23.264 6.187) 40.023 2.731 ( -27.949 9.594 -3.479) 29.754 3.033 ( -18.524 14.072 -13.898) 27.098 3.449 ( 50.381 24.328 17.584) 58.646 3.737 ( 3.401 5.994 -6.293) 9.332 4.013 ( 6.360 2.492 -1.805) 7.065 4.258 ( 2.711 10.355 -8.515) 13.678 4.316 ( -6.583 10.916 15.656) 20.189 4.387 ( -0.141 1.151 2.324) 2.597 4.608 ( -10.678 7.596 -3.063) 13.457 4.675 ( -14.763 8.590 -6.835) 18.397 4.774 ( 0.210 0.879 1.835) 2.045 4.793 ( 1.966 -1.508 -2.580) 3.577 4.884 ( 2.803 0.669 3.205) 4.310 4.941 ( 0.191 13.699 0.340) 13.704 5.285 ( -1.712 9.323 -0.994) 9.531 5.462 ( -3.911 -4.956 1.029) 6.396 5.586 ( 7.275 -5.097 3.850) 9.681 5.712 ( -0.289 11.182 1.100) 11.239 5.751 ( 1.363 -4.205 -1.397) 4.636 5.863 ( -4.085 4.856 -3.601) 7.297 6.008 ( -4.542 -5.280 0.240) 6.969 6.140 ( 1.270 7.523 1.057) 7.702 6.242 ( 4.919 0.637 0.459) 4.981 6.337 ( -0.975 1.152 2.623) 3.026 6.537 ( 1.464 -0.495 -3.204) 3.557 6.594 ( 0.835 0.436 4.998) 5.086 6.672 ( -2.893 0.277 -4.020) 4.961 6.684 ( -1.700 2.270 -0.773) 2.939 6.727 ( 0.279 0.049 3.282) 3.294 6.813 ( -4.256 2.526 0.092) 4.950 6.866 ( 7.960 -0.500 2.257) 8.289 7.035 ( -5.851 -0.686 1.770) 6.151 7.083 ( 0.427 2.745 -4.421) 5.221 7.172 ( -1.586 3.133 -0.636) 3.569 7.237 ( -7.512 -0.387 -7.131) 10.365 7.293 ( 1.852 -0.332 -0.375) 1.918 7.326 ( -1.011 1.365 -3.779) 4.144 7.396 ( 2.237 2.510 -0.640) 3.423 7.622 ( -9.271 -1.385 -2.246) 9.639 7.727 ( -1.741 -3.435 2.129) 4.400 7.955 ( -3.710 1.198 -4.593) 6.025 8.117 ( 3.777 4.137 -3.285) 6.494 8.147 ( 0.552 3.895 2.269) 4.541 8.268 ( 5.207 0.992 -2.447) 5.838 8.370 ( 0.818 0.314 -1.360) 1.618 8.445 ( -11.013 -2.335 -1.350) 11.339 8.568 ( 1.226 2.914 3.796) 4.940 8.721 ( -5.436 -1.478 4.437) 7.171 8.771 ( -8.458 -0.843 -1.819) 8.692 8.989 ( 0.143 -2.192 0.831) 2.348 9.082 ( 0.115 1.529 4.451) 4.708 9.107 ( 2.351 1.789 -5.603) 6.334 9.348 ( 6.989 1.235 -0.146) 7.099 9.459 ( 3.835 4.456 0.215) 5.883 9.488 ( 0.758 5.738 0.461) 5.806 9.521 ( 1.433 -0.813 2.564) 3.048 9.610 ( 6.438 -2.411 -1.652) 7.071 9.755 ( -1.146 -2.658 5.818) 6.498 9.790 ( 0.151 -0.236 3.800) 3.810 9.906 ( -0.096 -6.157 0.319) 6.166 9.958 ( -0.058 2.370 0.498) 2.422 10.081 ( 4.053 -1.696 5.477) 7.021 10.209 ( 8.899 1.941 5.083) 10.431 10.273 ( 2.532 -12.045 -0.552) 12.321 10.398 ( 1.918 3.339 -0.317) 3.864 10.443 ( 0.567 0.661 -1.173) 1.461 10.543 ( -2.051 0.514 -2.053) 2.947 10.728 ( -4.395 -1.540 -2.194) 5.148 10.745 ( 1.251 2.816 7.649) 8.247 10.784 ( 4.327 0.169 3.775) 5.745 10.819 ( 1.133 6.850 -2.940) 7.540 10.890 ( -2.024 -0.863 -5.201) 5.647 10.986 ( 2.089 -0.235 2.062) 2.945 10.997 ( 0.049 -2.372 -2.341) 3.334 11.042 ( 1.273 4.892 -3.644) 6.232 11.098 ( -4.926 -2.351 -2.002) 5.814 11.297 ( -2.883 -2.733 0.237) 3.980 11.354 ( 5.404 3.627 7.129) 9.653 11.405 ( -3.624 -1.138 -5.524) 6.704 11.439 ( 1.628 4.280 -1.852) 4.940 11.496 ( 1.192 4.003 0.357) 4.192 11.614 ( -7.411 -1.556 -0.943) 7.631 11.624 ( -2.626 -4.955 -7.028) 8.991 11.683 ( -0.142 -2.251 1.687) 2.817 11.757 ( 2.249 -2.673 1.126) 3.670 11.831 ( -4.840 -3.248 -1.221) 5.956 11.969 ( 0.195 5.774 -1.006) 5.864 12.031 ( -2.804 0.019 -1.275) 3.080 12.183 ( -0.074 1.209 -1.442) 1.883 12.208 ( -2.385 -0.046 0.032) 2.385 12.233 ( 1.231 -8.819 4.944) 10.184 12.301 ( -0.016 -8.221 -4.150) 9.209 12.410 ( 0.857 4.406 -2.479) 5.127 12.545 ( 0.264 -0.167 -1.840) 1.866 12.654 ( 0.016 -6.209 -1.917) 6.498 12.724 ( 2.203 -1.891 0.524) 2.950 12.774 ( -0.450 3.753 3.115) 4.898 12.886 ( 1.532 0.871 0.030) 1.763 12.928 ( 0.482 3.420 0.511) 3.491 12.947 ( 0.739 1.768 2.771) 3.370 13.025 ( -1.312 -4.384 -0.324) 4.587 13.113 ( 7.595 -1.156 7.868) 10.997 13.384 ( -4.014 0.246 -4.032) 5.695 13.419 ( -0.143 2.872 -1.461) 3.226 13.462 ( 8.645 -11.440 5.000) 15.186 13.581 ( -1.301 -6.686 -1.366) 6.947 13.662 ( -3.474 -3.297 -1.894) 5.151 13.769 ( -1.786 -5.453 2.195) 6.144 13.870 ( 1.643 0.573 1.680) 2.418 13.970 ( -1.867 -1.928 -6.363) 6.905 14.064 ( -4.254 -1.552 3.323) 5.617 14.143 ( -0.885 -6.666 -0.032) 6.725 14.300 ( -0.276 -5.135 -1.835) 5.460 14.368 ( 0.451 9.999 3.163) 10.497 14.579 ( -0.827 -2.849 4.105) 5.065 14.664 ( -0.323 3.167 -0.550) 3.230 14.908 ( 2.845 -0.406 2.725) 3.961 15.003 ( -5.527 -2.592 -3.551) 7.062 15.053 ( 7.722 9.501 -3.653) 12.777 15.106 ( -1.731 11.352 5.108) 12.568 15.293 ( 1.461 0.844 -2.697) 3.181 15.588 ( 2.995 -7.819 0.204) 8.375 15.676 ( -0.349 1.085 0.675) 1.325 15.683 ( -3.907 1.723 -2.024) 4.725 15.892 ( -3.965 4.249 -0.259) 5.817 16.084 ( -2.702 4.623 -2.831) 6.057 16.249 ( -1.180 -15.558 -0.183) 15.604 16.278 ( 2.126 -6.452 7.268) 9.949 16.338 ( 0.016 -2.595 -3.439) 4.308 16.558 ( 2.745 4.311 1.876) 5.444 16.637 ( -0.996 -3.577 -1.093) 3.871 16.794 ( 0.998 -2.071 0.775) 2.426 16.970 ( 2.753 2.106 1.478) 3.769 16.983 ( 1.696 4.243 3.348) 5.665 17.035 ( 0.556 -6.392 -1.016) 6.496 17.122 ( -0.322 1.294 -4.239) 4.443 17.132 ( -5.615 -2.618 1.801) 6.452 17.286 ( -0.136 7.628 -0.486) 7.645 17.561 ( -0.005 2.117 -1.469) 2.577 17.624 ( 0.277 -7.670 1.541) 7.828 17.984 ( 0.508 0.108 3.537) 3.575 18.175 ( 1.597 16.254 -3.287) 16.660 18.348 ( 6.013 18.742 -3.932) 20.072 19.278 ( -5.467 -6.873 0.593) 8.803 19.423 ( -1.202 -0.037 0.794) 1.441 19.523 ( -0.368 -1.198 -0.170) 1.265 20.308 ( 4.337 -39.551 -0.527) 39.792 21.795 ( 0.042 -0.173 0.277) 0.329 22.031 ( 0.407 2.141 -0.299) 2.200 22.549 ( -0.570 -3.473 -1.334) 3.764 23.437 ( 3.033 -10.664 0.949) 11.128 23.769 ( -0.277 -2.910 0.254) 2.934 23.838 ( -0.050 -0.474 0.330) 0.580 24.050 ( 0.160 7.901 0.480) 7.917 24.282 ( -1.326 5.646 0.041) 5.800 24.460 ( 0.044 5.101 -0.054) 5.101 24.748 ( -2.400 16.068 2.378) 16.420 24.856 ( -0.258 1.352 -1.899) 2.345 24.913 ( -0.074 1.961 -0.577) 2.046 24.974 ( 0.264 4.303 -0.438) 4.333 25.116 ( -0.022 -3.279 -2.513) 4.131 25.670 ( -0.863 -6.008 0.443) 6.086 25.878 ( 0.076 -0.485 1.277) 1.368 ======================= Grid point 10 (7/65) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( 0.000 39.848 0.000) 39.848 1.879 ( 0.000 43.270 0.000) 43.270 2.941 ( 0.000 62.260 0.000) 62.260 3.806 ( 0.000 4.115 0.000) 4.115 4.017 ( 0.000 10.243 0.000) 10.243 4.054 ( 0.000 2.484 0.000) 2.484 4.145 ( 0.000 10.465 0.000) 10.465 4.182 ( 0.000 8.130 0.000) 8.130 4.486 ( 0.000 9.882 0.000) 9.882 4.493 ( 0.000 10.420 0.000) 10.420 4.608 ( 0.000 7.980 0.000) 7.980 4.652 ( 0.000 0.231 0.000) 0.231 4.687 ( 0.000 13.645 0.000) 13.645 4.817 ( 0.000 12.500 0.000) 12.500 4.954 ( 0.000 -18.139 0.000) 18.139 5.146 ( 0.000 14.364 0.000) 14.364 5.326 ( 0.000 3.480 0.000) 3.480 5.450 ( 0.000 -0.696 0.000) 0.696 5.595 ( 0.000 -1.895 0.000) 1.895 5.842 ( 0.000 14.762 0.000) 14.762 5.924 ( 0.000 0.425 0.000) 0.425 5.942 ( 0.000 -2.401 0.000) 2.401 6.021 ( 0.000 -6.989 0.000) 6.989 6.240 ( 0.000 -0.194 0.000) 0.194 6.296 ( 0.000 0.236 0.000) 0.236 6.313 ( 0.000 7.574 0.000) 7.574 6.409 ( 0.000 6.247 0.000) 6.247 6.425 ( 0.000 7.834 0.000) 7.834 6.606 ( 0.000 -4.682 0.000) 4.682 6.739 ( 0.000 5.170 0.000) 5.170 6.784 ( 0.000 -15.445 0.000) 15.445 6.933 ( 0.000 10.132 0.000) 10.132 6.957 ( 0.000 -4.111 0.000) 4.111 7.137 ( 0.000 9.659 0.000) 9.659 7.242 ( 0.000 3.714 0.000) 3.714 7.286 ( 0.000 4.993 0.000) 4.993 7.477 ( 0.000 -2.751 0.000) 2.751 7.518 ( 0.000 -3.832 0.000) 3.832 7.668 ( 0.000 8.466 0.000) 8.466 7.772 ( 0.000 0.265 0.000) 0.265 7.814 ( 0.000 1.419 0.000) 1.419 7.925 ( 0.000 -0.289 0.000) 0.289 7.974 ( 0.000 9.011 0.000) 9.011 8.076 ( 0.000 -1.564 0.000) 1.564 8.265 ( 0.000 4.075 0.000) 4.075 8.334 ( 0.000 11.986 0.000) 11.986 8.359 ( 0.000 -10.640 0.000) 10.640 8.456 ( 0.000 -4.253 0.000) 4.253 8.655 ( 0.000 -7.430 0.000) 7.430 8.664 ( 0.000 7.284 0.000) 7.284 8.827 ( 0.000 1.997 0.000) 1.997 8.927 ( 0.000 -5.494 0.000) 5.494 8.934 ( 0.000 -1.712 0.000) 1.712 8.973 ( 0.000 -0.340 0.000) 0.340 9.085 ( 0.000 8.374 0.000) 8.374 9.235 ( 0.000 -6.799 0.000) 6.799 9.388 ( 0.000 2.078 0.000) 2.078 9.491 ( 0.000 4.064 0.000) 4.064 9.566 ( 0.000 1.945 0.000) 1.945 9.632 ( 0.000 3.549 0.000) 3.549 9.708 ( 0.000 -0.807 0.000) 0.807 9.871 ( 0.000 4.848 0.000) 4.848 9.873 ( 0.000 3.573 0.000) 3.573 10.073 ( 0.000 6.190 0.000) 6.190 10.095 ( 0.000 6.558 0.000) 6.558 10.248 ( 0.000 -4.242 0.000) 4.242 10.337 ( 0.000 4.217 0.000) 4.217 10.395 ( 0.000 2.181 0.000) 2.181 10.680 ( 0.000 5.545 0.000) 5.545 10.757 ( 0.000 -4.989 0.000) 4.989 10.766 ( 0.000 7.156 0.000) 7.156 10.810 ( 0.000 2.291 0.000) 2.291 10.829 ( 0.000 0.630 0.000) 0.630 10.872 ( 0.000 7.712 0.000) 7.712 10.907 ( 0.000 -3.911 0.000) 3.911 11.006 ( 0.000 -7.367 0.000) 7.367 11.131 ( 0.000 1.351 0.000) 1.351 11.141 ( 0.000 8.712 0.000) 8.712 11.284 ( 0.000 5.042 0.000) 5.042 11.317 ( 0.000 -4.844 0.000) 4.844 11.403 ( 0.000 1.670 0.000) 1.670 11.513 ( 0.000 -9.539 0.000) 9.539 11.556 ( 0.000 1.359 0.000) 1.359 11.711 ( 0.000 -2.035 0.000) 2.035 11.722 ( 0.000 -2.998 0.000) 2.998 11.794 ( 0.000 -7.291 0.000) 7.291 11.815 ( 0.000 -4.402 0.000) 4.402 11.832 ( 0.000 1.039 0.000) 1.039 11.975 ( 0.000 -8.480 0.000) 8.480 12.027 ( 0.000 3.579 0.000) 3.579 12.056 ( 0.000 -5.645 0.000) 5.645 12.075 ( 0.000 0.509 0.000) 0.509 12.227 ( 0.000 -13.071 0.000) 13.071 12.321 ( 0.000 -2.865 0.000) 2.865 12.439 ( 0.000 -6.080 0.000) 6.080 12.486 ( 0.000 -1.923 0.000) 1.923 12.554 ( 0.000 -3.368 0.000) 3.368 12.600 ( 0.000 8.494 0.000) 8.494 12.626 ( 0.000 -8.407 0.000) 8.407 12.639 ( 0.000 -0.810 0.000) 0.810 12.709 ( 0.000 -0.221 0.000) 0.221 12.882 ( 0.000 0.544 0.000) 0.544 12.965 ( 0.000 3.315 0.000) 3.315 13.060 ( 0.000 1.975 0.000) 1.975 13.221 ( 0.000 3.178 0.000) 3.178 13.396 ( 0.000 -10.016 0.000) 10.016 13.399 ( 0.000 -3.368 0.000) 3.368 13.594 ( 0.000 -5.356 0.000) 5.356 13.651 ( 0.000 -2.666 0.000) 2.666 13.724 ( 0.000 -1.781 0.000) 1.781 13.859 ( 0.000 -7.484 0.000) 7.484 13.869 ( 0.000 -1.524 0.000) 1.524 14.072 ( 0.000 -4.277 0.000) 4.277 14.098 ( 0.000 -9.422 0.000) 9.422 14.278 ( 0.000 -7.223 0.000) 7.223 14.465 ( 0.000 -1.731 0.000) 1.731 14.524 ( 0.000 3.809 0.000) 3.809 14.626 ( 0.000 1.023 0.000) 1.023 14.795 ( 0.000 4.306 0.000) 4.306 14.847 ( 0.000 4.646 0.000) 4.646 14.998 ( 0.000 -3.410 0.000) 3.410 15.298 ( 0.000 -7.679 0.000) 7.679 15.464 ( 0.000 -1.293 0.000) 1.293 15.580 ( 0.000 1.963 0.000) 1.963 15.777 ( 0.000 -13.435 0.000) 13.435 15.908 ( 0.000 5.906 0.000) 5.906 16.038 ( 0.000 -5.370 0.000) 5.370 16.068 ( 0.000 5.025 0.000) 5.025 16.229 ( 0.000 -0.795 0.000) 0.795 16.255 ( 0.000 -2.469 0.000) 2.469 16.432 ( 0.000 1.779 0.000) 1.779 16.565 ( 0.000 -4.417 0.000) 4.417 16.618 ( 0.000 10.977 0.000) 10.977 16.730 ( 0.000 -1.191 0.000) 1.191 16.878 ( 0.000 1.059 0.000) 1.059 17.018 ( 0.000 0.059 0.000) 0.059 17.143 ( 0.000 4.872 0.000) 4.872 17.206 ( 0.000 -6.001 0.000) 6.001 17.226 ( 0.000 -0.136 0.000) 0.136 17.230 ( 0.000 5.305 0.000) 5.305 17.607 ( 0.000 11.117 0.000) 11.117 17.634 ( 0.000 -7.039 0.000) 7.039 17.888 ( 0.000 -1.295 0.000) 1.295 18.361 ( 0.000 -5.385 0.000) 5.385 18.545 ( 0.000 19.912 0.000) 19.912 19.206 ( 0.000 1.601 0.000) 1.601 19.220 ( 0.000 -20.534 0.000) 20.534 19.474 ( 0.000 1.031 0.000) 1.031 19.579 ( 0.000 2.451 0.000) 2.451 21.813 ( 0.000 1.103 0.000) 1.103 22.071 ( 0.000 3.944 0.000) 3.944 22.509 ( 0.000 -4.747 0.000) 4.747 22.931 ( 0.000 -9.170 0.000) 9.170 23.730 ( 0.000 -2.102 0.000) 2.102 23.825 ( 0.000 -0.422 0.000) 0.422 24.212 ( 0.000 9.174 0.000) 9.174 24.317 ( 0.000 -0.895 0.000) 0.895 24.587 ( 0.000 6.356 0.000) 6.356 24.849 ( 0.000 1.738 0.000) 1.738 24.879 ( 0.000 -2.537 0.000) 2.537 24.945 ( 0.000 -3.180 0.000) 3.180 25.037 ( 0.000 5.214 0.000) 5.214 25.363 ( 0.000 -0.112 0.000) 0.112 25.693 ( 0.000 -3.216 0.000) 3.216 25.965 ( 0.000 3.039 0.000) 3.039 ======================= Grid point 11 (8/65) ======================= q-point: ( 0.20 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.901 ( 14.514 35.487 17.185) 42.016 2.022 ( 13.445 36.842 7.632) 39.955 3.263 ( 25.878 51.656 4.125) 57.922 3.634 ( -20.761 13.082 -11.428) 27.069 3.849 ( -4.212 8.078 -14.844) 17.416 3.926 ( 1.787 5.471 5.532) 7.983 3.981 ( -7.968 11.799 -5.259) 15.178 4.378 ( 4.058 4.365 -2.856) 6.609 4.476 ( -4.951 5.049 8.067) 10.728 4.577 ( 5.200 11.790 2.721) 13.170 4.609 ( 1.804 2.885 2.142) 4.021 4.677 ( 1.179 0.495 7.492) 7.600 4.718 ( 1.744 0.863 -1.655) 2.554 4.828 ( 3.632 15.373 2.699) 16.025 5.084 ( 6.533 -2.304 3.028) 7.560 5.236 ( 4.577 1.781 0.197) 4.916 5.308 ( -1.103 5.599 0.132) 5.708 5.410 ( -4.542 -1.111 5.609) 7.302 5.583 ( -2.043 0.157 -2.221) 3.022 5.826 ( -2.256 12.788 2.241) 13.177 5.912 ( -0.134 0.631 2.271) 2.361 5.958 ( -2.762 -4.569 -3.120) 6.184 6.059 ( -4.686 -6.265 -1.853) 8.040 6.162 ( 0.355 4.605 4.250) 6.276 6.291 ( 1.095 5.660 1.785) 6.034 6.332 ( -2.613 9.105 3.238) 10.010 6.403 ( 3.945 -0.847 4.121) 5.767 6.500 ( 3.630 3.897 1.675) 5.582 6.655 ( 3.309 -2.954 4.078) 6.026 6.717 ( 1.542 -0.553 -4.358) 4.656 6.778 ( -5.003 -6.282 -0.346) 8.038 6.869 ( 2.018 2.327 -2.839) 4.189 6.989 ( -3.999 6.476 -5.417) 9.342 7.122 ( 1.990 5.435 -2.770) 6.417 7.235 ( 0.699 3.516 -5.002) 6.154 7.288 ( 2.202 5.481 -6.535) 8.809 7.353 ( -6.898 3.743 -3.574) 8.623 7.461 ( -0.087 1.448 -5.469) 5.659 7.531 ( -10.253 7.246 -3.383) 13.003 7.630 ( -6.740 5.799 -2.685) 9.288 7.748 ( -5.066 4.042 5.554) 8.535 7.893 ( -4.478 2.320 -8.209) 9.634 7.953 ( -1.071 2.511 -6.612) 7.154 8.152 ( 1.439 -2.568 -1.275) 3.208 8.198 ( 1.656 6.140 -8.299) 10.456 8.243 ( -2.634 -2.016 -0.382) 3.339 8.404 ( -5.339 -11.101 2.116) 12.498 8.478 ( 4.182 4.758 -2.798) 6.925 8.646 ( -2.222 1.461 5.702) 6.292 8.740 ( 3.860 -3.608 8.012) 9.597 8.833 ( 4.677 0.541 -3.363) 5.785 8.893 ( 4.345 -5.161 -10.095) 12.142 8.971 ( -4.957 -0.830 5.496) 7.448 9.095 ( 2.614 3.669 3.771) 5.875 9.218 ( 5.149 2.835 14.291) 15.453 9.316 ( 7.175 -2.438 7.906) 10.951 9.436 ( 6.148 -2.302 3.504) 7.442 9.495 ( 2.273 3.321 -2.298) 4.634 9.597 ( -1.180 2.265 1.018) 2.750 9.691 ( 3.851 0.751 7.799) 8.730 9.738 ( -1.851 2.033 5.761) 6.384 9.817 ( -2.040 5.226 -4.154) 6.980 9.860 ( 0.010 1.059 -2.009) 2.271 10.040 ( -1.031 4.555 3.276) 5.705 10.144 ( 0.793 0.780 -4.995) 5.117 10.266 ( -0.376 -0.399 8.720) 8.737 10.314 ( 0.674 4.386 2.094) 4.907 10.499 ( 4.503 -0.769 -1.226) 4.730 10.620 ( -0.789 0.177 1.850) 2.019 10.726 ( -2.525 -2.064 0.669) 3.329 10.737 ( 0.123 0.592 -9.022) 9.043 10.772 ( -6.730 -5.878 -2.882) 9.389 10.807 ( -0.456 2.885 -1.142) 3.136 10.884 ( 1.625 2.030 1.395) 2.950 10.997 ( 1.947 -2.549 0.634) 3.269 11.031 ( 4.359 6.163 5.815) 9.529 11.102 ( 1.763 1.444 0.570) 2.349 11.165 ( 1.776 5.549 -1.872) 6.119 11.237 ( -3.899 4.067 3.437) 6.600 11.399 ( 5.658 -0.779 -0.725) 5.757 11.446 ( -1.277 1.520 7.036) 7.311 11.481 ( -1.452 -6.011 -5.522) 8.291 11.568 ( 4.574 -1.107 -7.976) 9.261 11.650 ( -2.112 0.991 -4.114) 4.730 11.677 ( -3.156 0.507 -1.420) 3.498 11.697 ( -5.162 -3.572 -3.873) 7.376 11.800 ( -3.054 -1.512 -3.232) 4.697 11.882 ( -1.718 -0.405 5.931) 6.188 11.935 ( -4.647 -4.918 0.995) 6.839 12.031 ( 5.791 -3.067 -5.590) 8.613 12.054 ( -0.608 -5.263 1.434) 5.489 12.130 ( 3.410 -2.926 -1.576) 4.762 12.228 ( -0.941 -4.346 -0.108) 4.448 12.268 ( -1.041 -7.444 -1.269) 7.623 12.373 ( -4.887 -0.753 -1.489) 5.164 12.488 ( 1.430 -1.800 -5.422) 5.889 12.533 ( -0.049 -4.695 1.855) 5.048 12.610 ( 2.266 -8.778 1.636) 9.212 12.670 ( 2.121 0.448 1.169) 2.463 12.750 ( 6.988 -1.841 7.695) 10.557 12.845 ( 4.475 -2.547 7.675) 9.243 12.881 ( 0.061 0.932 3.356) 3.484 13.004 ( -0.399 0.873 -0.348) 1.021 13.047 ( 3.659 1.923 -1.770) 4.496 13.181 ( -2.122 1.570 -1.944) 3.278 13.379 ( -1.932 -10.231 0.917) 10.452 13.444 ( 2.418 -3.247 -0.020) 4.049 13.503 ( -2.676 -2.712 -5.166) 6.419 13.687 ( 0.727 -2.793 -1.623) 3.311 13.724 ( -0.586 -0.974 2.820) 3.041 13.859 ( 2.472 -3.522 -2.449) 4.951 13.881 ( -0.888 -1.661 0.313) 1.909 14.071 ( -1.698 -8.271 -0.703) 8.473 14.082 ( -2.496 -8.356 6.168) 10.682 14.192 ( -7.119 -6.078 -2.734) 9.752 14.409 ( -1.298 1.380 4.423) 4.811 14.589 ( 1.892 3.797 0.555) 4.278 14.653 ( 2.556 -0.523 0.186) 2.616 14.791 ( 2.256 1.588 1.544) 3.161 14.942 ( 4.112 -2.253 -0.178) 4.693 15.075 ( 6.063 3.915 1.013) 7.288 15.315 ( 0.958 -7.323 2.116) 7.682 15.417 ( -1.278 2.905 -6.301) 7.055 15.625 ( 0.566 1.145 2.649) 2.941 15.711 ( -8.530 0.493 -3.835) 9.366 15.836 ( -5.606 -0.258 0.028) 5.612 15.876 ( -5.525 -4.975 -2.807) 7.947 16.054 ( -2.066 -5.419 4.090) 7.097 16.148 ( -1.441 6.478 1.311) 6.764 16.292 ( 1.355 -0.002 -6.193) 6.340 16.463 ( -6.571 6.531 -4.852) 10.458 16.507 ( 3.697 0.226 4.786) 6.052 16.651 ( -0.969 0.806 -0.535) 1.369 16.757 ( 3.972 -3.614 0.439) 5.388 16.789 ( -4.258 1.189 -0.997) 4.532 17.027 ( -2.096 -0.288 1.240) 2.452 17.074 ( -1.363 0.182 -1.634) 2.136 17.126 ( -2.510 0.518 1.929) 3.208 17.216 ( -0.217 2.975 -0.032) 2.983 17.372 ( 4.187 2.403 -0.047) 4.828 17.550 ( -3.266 -1.810 -0.043) 3.735 17.647 ( -0.290 5.233 2.424) 5.775 17.938 ( 1.732 0.189 3.859) 4.234 18.425 ( 3.915 5.496 3.869) 7.778 18.609 ( 7.145 16.082 -4.208) 18.094 19.159 ( -5.344 -16.412 2.045) 17.381 19.326 ( 8.637 -8.376 -3.122) 12.430 19.474 ( 0.018 -1.816 -0.803) 1.986 19.592 ( 2.806 -4.483 -5.695) 7.772 21.806 ( -0.612 0.872 0.172) 1.079 22.085 ( 1.042 4.142 -0.093) 4.272 22.493 ( -0.947 -4.563 -1.278) 4.832 23.030 ( 6.372 -12.283 3.913) 14.380 23.725 ( -0.259 -2.051 -0.258) 2.083 23.826 ( -0.048 -0.454 0.273) 0.532 24.218 ( 0.451 9.179 0.210) 9.192 24.318 ( 0.126 -0.487 -0.019) 0.503 24.588 ( 0.143 6.428 -0.163) 6.431 24.859 ( 0.621 1.999 0.523) 2.158 24.884 ( 0.031 -2.178 1.199) 2.487 24.951 ( 0.912 -3.388 -0.400) 3.531 25.031 ( -0.783 4.987 0.770) 5.106 25.328 ( -2.076 4.047 -3.803) 5.929 25.639 ( -5.224 -2.599 0.391) 5.848 25.908 ( -2.663 3.298 -0.832) 4.320 ======================= Grid point 12 (9/65) ======================= q-point: ( 0.40 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.297 ( 13.114 33.872 12.901) 38.545 2.530 ( 22.324 21.864 9.408) 32.633 3.042 ( -20.751 19.309 -8.663) 29.639 3.401 ( -19.047 18.328 -10.318) 28.375 3.892 ( 0.286 8.981 -3.532) 9.655 4.033 ( 25.653 17.843 4.503) 31.571 4.130 ( 15.667 17.226 2.572) 23.427 4.291 ( -0.009 -4.610 1.566) 4.869 4.529 ( -3.197 7.994 5.797) 10.380 4.563 ( 2.055 8.062 -4.041) 9.250 4.720 ( 0.284 -4.023 -1.875) 4.448 4.773 ( 2.695 4.978 6.054) 8.288 4.804 ( 3.580 6.267 2.097) 7.516 4.863 ( -9.315 3.990 0.252) 10.136 5.008 ( -14.041 13.625 -7.158) 20.833 5.225 ( 0.975 7.544 3.113) 8.219 5.301 ( 0.605 -3.399 4.957) 6.041 5.449 ( -6.460 2.821 -3.908) 8.060 5.483 ( 4.666 0.348 1.660) 4.964 5.724 ( -6.142 -10.675 1.412) 12.396 5.800 ( -0.496 7.841 -2.798) 8.340 5.966 ( -0.661 -7.759 8.123) 11.252 6.079 ( 5.060 16.935 -5.910) 18.636 6.235 ( -0.863 2.983 3.742) 4.863 6.309 ( 3.169 12.848 0.640) 13.249 6.379 ( 2.725 -1.916 -0.628) 3.390 6.449 ( -2.305 -10.638 5.354) 12.131 6.568 ( -4.354 -3.681 -3.412) 6.644 6.677 ( 5.241 4.060 1.539) 6.806 6.713 ( -4.011 4.923 -1.619) 6.554 6.745 ( 2.650 1.736 1.112) 3.358 6.881 ( 4.334 2.464 -0.122) 4.987 6.935 ( -3.065 6.711 -1.227) 7.479 7.070 ( -5.118 3.647 -1.671) 6.503 7.155 ( -3.684 4.139 -6.821) 8.788 7.202 ( 4.400 4.165 -0.551) 6.084 7.327 ( 5.495 5.129 -4.039) 8.533 7.397 ( -4.032 9.607 0.385) 10.426 7.474 ( 0.144 9.823 -3.780) 10.526 7.507 ( -3.830 7.159 -4.139) 9.113 7.574 ( -11.627 -1.315 -2.174) 11.901 7.744 ( 2.937 8.634 -0.584) 9.139 7.942 ( -2.935 -0.546 -2.751) 4.060 8.144 ( 3.572 -1.006 -2.475) 4.461 8.193 ( 0.318 -0.652 2.939) 3.028 8.241 ( 2.730 -3.091 -2.427) 4.785 8.341 ( -0.493 -1.920 -0.354) 2.014 8.522 ( 1.631 6.676 -1.461) 7.026 8.606 ( -9.613 1.970 3.299) 10.353 8.703 ( -2.041 1.163 0.673) 2.444 8.847 ( -3.812 4.364 0.023) 5.795 8.910 ( 1.697 -5.356 0.685) 5.660 9.029 ( 7.376 -4.974 -4.822) 10.119 9.208 ( 1.129 5.289 5.499) 7.713 9.341 ( 2.923 -1.752 4.864) 5.940 9.462 ( -0.906 -4.070 2.982) 5.126 9.516 ( -2.472 1.213 -0.884) 2.891 9.586 ( 4.153 2.450 1.979) 5.213 9.604 ( 1.995 -0.799 -0.007) 2.149 9.696 ( 0.241 -2.619 4.055) 4.833 9.752 ( -1.865 -0.981 -1.534) 2.606 9.856 ( 3.367 2.856 5.729) 7.233 9.987 ( 10.026 -5.597 0.878) 11.516 10.051 ( -0.515 5.468 1.859) 5.799 10.155 ( 2.631 0.423 2.119) 3.405 10.265 ( -0.661 4.189 4.174) 5.950 10.381 ( -2.079 -5.092 -0.063) 5.500 10.476 ( -2.509 1.668 -1.873) 3.548 10.560 ( -5.410 -4.860 -5.428) 9.074 10.680 ( 2.466 2.011 -1.526) 3.529 10.689 ( 1.597 -6.889 -5.798) 9.145 10.711 ( -1.557 -4.253 3.585) 5.776 10.813 ( -0.353 -2.611 2.126) 3.386 10.881 ( -4.168 -7.348 0.480) 8.462 10.997 ( 1.114 3.380 0.943) 3.682 11.116 ( -0.523 2.863 1.059) 3.097 11.164 ( 7.724 8.155 -3.188) 11.676 11.211 ( 2.478 12.181 1.494) 12.520 11.293 ( -3.768 4.553 2.304) 6.343 11.369 ( 1.100 -2.238 12.085) 12.339 11.425 ( -3.084 2.641 -8.891) 9.774 11.484 ( -2.436 -4.004 0.545) 4.718 11.548 ( 0.081 2.045 -6.303) 6.627 11.570 ( -1.001 2.038 -4.269) 4.835 11.629 ( 1.126 0.412 -3.593) 3.787 11.670 ( 1.720 -0.532 -0.161) 1.807 11.696 ( -0.435 0.304 -0.116) 0.543 11.772 ( -3.446 -2.050 -2.167) 4.558 11.945 ( -3.932 -4.027 3.844) 6.816 12.017 ( -0.493 -4.733 2.506) 5.378 12.103 ( 0.439 -5.271 -2.304) 5.770 12.129 ( 2.330 -1.189 -3.150) 4.094 12.196 ( -3.270 -4.393 2.383) 5.973 12.263 ( 1.632 3.846 -2.973) 5.128 12.349 ( 1.011 -5.118 -0.714) 5.265 12.471 ( -1.037 -7.191 -1.497) 7.418 12.550 ( 3.293 -0.672 -0.648) 3.423 12.694 ( -0.380 -2.636 1.207) 2.924 12.701 ( 1.019 -14.688 4.496) 15.394 12.837 ( 0.188 3.041 -0.285) 3.060 12.918 ( 1.156 -2.305 -2.094) 3.322 12.980 ( 0.208 2.019 3.470) 4.020 13.016 ( 4.247 -0.748 3.169) 5.352 13.128 ( -1.627 0.262 -2.255) 2.793 13.196 ( 5.723 -11.027 8.324) 14.954 13.348 ( 0.075 -7.912 0.323) 7.919 13.454 ( -1.554 -6.325 -3.516) 7.402 13.464 ( 3.248 2.276 -1.836) 4.371 13.616 ( -5.788 0.921 -4.953) 7.673 13.713 ( -1.410 -1.886 1.994) 3.086 13.869 ( 0.736 -2.580 0.466) 2.723 13.909 ( 2.018 -1.328 -4.852) 5.420 14.018 ( -4.709 -4.300 6.115) 8.834 14.037 ( 0.138 -4.844 -2.862) 5.628 14.094 ( -2.283 -9.585 2.237) 10.104 14.476 ( 3.680 -0.081 2.562) 4.485 14.603 ( -2.328 5.838 2.373) 6.718 14.709 ( 2.369 0.772 0.881) 2.643 14.841 ( -0.716 -5.401 0.459) 5.467 14.946 ( -0.259 -1.442 -1.174) 1.878 15.223 ( 6.001 7.368 -2.221) 9.759 15.330 ( -0.605 2.206 4.561) 5.103 15.401 ( 1.799 -1.748 -0.888) 2.661 15.436 ( -4.985 8.248 -7.779) 12.385 15.696 ( 0.861 0.668 1.515) 1.866 15.728 ( -4.678 -0.512 -0.145) 4.708 15.844 ( 0.460 -12.108 -0.138) 12.117 16.054 ( -2.194 3.940 6.222) 7.684 16.124 ( -0.283 -1.561 -3.846) 4.160 16.278 ( 0.653 -0.450 -1.377) 1.589 16.308 ( -3.785 6.954 -2.206) 8.219 16.548 ( -2.014 -3.209 1.445) 4.055 16.632 ( 0.761 0.350 -1.838) 2.020 16.773 ( 1.601 -0.510 3.968) 4.309 16.843 ( 3.416 -5.698 -3.044) 7.307 16.988 ( 0.049 -0.525 -1.031) 1.158 17.060 ( -5.492 -2.870 3.370) 7.054 17.081 ( 0.652 0.548 -0.435) 0.956 17.206 ( -0.249 5.490 -0.546) 5.522 17.406 ( 0.289 4.751 -0.298) 4.769 17.518 ( -0.628 -3.163 0.941) 3.359 17.660 ( 0.450 6.116 0.361) 6.143 17.990 ( 0.732 1.252 2.229) 2.659 18.511 ( 2.248 14.667 -0.400) 14.844 18.728 ( 5.134 15.971 -1.635) 16.855 19.075 ( -3.710 -12.171 2.625) 12.992 19.424 ( 1.020 -1.074 0.597) 1.597 19.479 ( 2.097 -6.321 -0.340) 6.669 19.577 ( 0.219 -22.919 -5.731) 23.626 21.797 ( -0.271 0.313 0.086) 0.422 22.100 ( 0.393 4.528 -0.090) 4.546 22.465 ( -0.623 -4.201 -0.824) 4.326 23.165 ( 3.209 -14.839 1.843) 15.293 23.719 ( -0.157 -1.995 -0.131) 2.005 23.827 ( -0.030 -0.501 0.159) 0.526 24.229 ( 0.362 9.148 0.161) 9.156 24.320 ( 0.036 0.257 -0.030) 0.261 24.589 ( 0.089 6.553 -0.097) 6.555 24.874 ( 0.323 2.003 0.262) 2.045 24.892 ( -0.096 -1.935 0.779) 2.088 24.982 ( 2.301 -3.456 -0.530) 4.186 25.018 ( -1.476 4.299 1.649) 4.836 25.237 ( -2.605 13.053 -3.393) 13.736 25.549 ( -2.451 -4.920 -0.072) 5.497 25.881 ( -0.437 1.066 0.464) 1.242 ======================= Grid point 15 (10/65) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.446 ( 0.000 39.394 0.000) 39.394 2.699 ( 0.000 34.626 0.000) 34.626 3.836 ( 0.000 -2.804 0.000) 2.804 3.904 ( 0.000 -23.677 0.000) 23.677 4.005 ( 0.000 30.000 0.000) 30.000 4.152 ( 0.000 15.304 0.000) 15.304 4.308 ( 0.000 4.423 0.000) 4.423 4.387 ( 0.000 12.464 0.000) 12.464 4.583 ( 0.000 -2.592 0.000) 2.592 4.592 ( 0.000 2.412 0.000) 2.412 4.689 ( 0.000 6.503 0.000) 6.503 4.744 ( 0.000 -0.898 0.000) 0.898 4.797 ( 0.000 3.824 0.000) 3.824 4.804 ( 0.000 7.124 0.000) 7.124 5.124 ( 0.000 5.599 0.000) 5.599 5.437 ( 0.000 8.518 0.000) 8.518 5.471 ( 0.000 2.687 0.000) 2.687 5.484 ( 0.000 14.136 0.000) 14.136 5.502 ( 0.000 -6.406 0.000) 6.406 5.758 ( 0.000 -5.469 0.000) 5.469 5.890 ( 0.000 -8.410 0.000) 8.410 5.898 ( 0.000 -1.873 0.000) 1.873 6.094 ( 0.000 8.735 0.000) 8.735 6.145 ( 0.000 -10.686 0.000) 10.686 6.279 ( 0.000 -1.620 0.000) 1.620 6.438 ( 0.000 -0.344 0.000) 0.344 6.452 ( 0.000 -4.964 0.000) 4.964 6.582 ( 0.000 5.559 0.000) 5.559 6.626 ( 0.000 9.787 0.000) 9.787 6.714 ( 0.000 6.787 0.000) 6.787 6.836 ( 0.000 6.026 0.000) 6.026 6.929 ( 0.000 2.947 0.000) 2.947 7.120 ( 0.000 6.497 0.000) 6.497 7.269 ( 0.000 -1.497 0.000) 1.497 7.339 ( 0.000 6.869 0.000) 6.869 7.403 ( 0.000 4.128 0.000) 4.128 7.414 ( 0.000 -2.673 0.000) 2.673 7.442 ( 0.000 0.295 0.000) 0.295 7.627 ( 0.000 -4.475 0.000) 4.475 7.792 ( 0.000 -9.659 0.000) 9.659 7.830 ( 0.000 10.763 0.000) 10.763 7.992 ( 0.000 8.082 0.000) 8.082 8.131 ( 0.000 -2.552 0.000) 2.552 8.155 ( 0.000 -8.587 0.000) 8.587 8.251 ( 0.000 7.762 0.000) 7.762 8.288 ( 0.000 2.190 0.000) 2.190 8.401 ( 0.000 1.937 0.000) 1.937 8.551 ( 0.000 6.462 0.000) 6.462 8.616 ( 0.000 -0.596 0.000) 0.596 8.683 ( 0.000 -4.362 0.000) 4.362 8.822 ( 0.000 0.740 0.000) 0.740 8.870 ( 0.000 4.418 0.000) 4.418 9.024 ( 0.000 7.072 0.000) 7.072 9.041 ( 0.000 2.908 0.000) 2.908 9.125 ( 0.000 0.991 0.000) 0.991 9.245 ( 0.000 6.027 0.000) 6.027 9.383 ( 0.000 -1.978 0.000) 1.978 9.554 ( 0.000 -1.620 0.000) 1.620 9.568 ( 0.000 4.502 0.000) 4.502 9.757 ( 0.000 7.281 0.000) 7.281 9.769 ( 0.000 4.769 0.000) 4.769 9.905 ( 0.000 -0.597 0.000) 0.597 9.968 ( 0.000 -1.889 0.000) 1.889 10.054 ( 0.000 -1.195 0.000) 1.195 10.165 ( 0.000 -1.952 0.000) 1.952 10.204 ( 0.000 1.303 0.000) 1.303 10.367 ( 0.000 -3.196 0.000) 3.196 10.376 ( 0.000 -1.709 0.000) 1.709 10.583 ( 0.000 -5.263 0.000) 5.263 10.694 ( 0.000 -12.837 0.000) 12.837 10.798 ( 0.000 5.230 0.000) 5.230 10.819 ( 0.000 -1.974 0.000) 1.974 10.898 ( 0.000 3.094 0.000) 3.094 10.971 ( 0.000 10.770 0.000) 10.770 10.989 ( 0.000 1.743 0.000) 1.743 11.004 ( 0.000 5.466 0.000) 5.466 11.119 ( 0.000 -1.316 0.000) 1.316 11.249 ( 0.000 -0.408 0.000) 0.408 11.264 ( 0.000 -2.426 0.000) 2.426 11.348 ( 0.000 -4.972 0.000) 4.972 11.349 ( 0.000 2.092 0.000) 2.092 11.462 ( 0.000 -1.388 0.000) 1.388 11.502 ( 0.000 -3.106 0.000) 3.106 11.597 ( 0.000 -9.393 0.000) 9.393 11.632 ( 0.000 -0.030 0.000) 0.030 11.742 ( 0.000 0.367 0.000) 0.367 11.788 ( 0.000 5.101 0.000) 5.101 11.826 ( 0.000 -6.000 0.000) 6.000 11.932 ( 0.000 -6.484 0.000) 6.484 11.932 ( 0.000 1.272 0.000) 1.272 11.981 ( 0.000 -1.384 0.000) 1.384 11.990 ( 0.000 -2.318 0.000) 2.318 12.196 ( 0.000 -7.319 0.000) 7.319 12.216 ( 0.000 5.102 0.000) 5.102 12.303 ( 0.000 -7.526 0.000) 7.526 12.421 ( 0.000 -5.053 0.000) 5.053 12.485 ( 0.000 0.294 0.000) 0.294 12.500 ( 0.000 -1.583 0.000) 1.583 12.649 ( 0.000 2.942 0.000) 2.942 12.755 ( 0.000 4.323 0.000) 4.323 12.817 ( 0.000 4.390 0.000) 4.390 12.899 ( 0.000 0.515 0.000) 0.515 13.002 ( 0.000 0.407 0.000) 0.407 13.091 ( 0.000 1.114 0.000) 1.114 13.130 ( 0.000 -11.037 0.000) 11.037 13.234 ( 0.000 -0.163 0.000) 0.163 13.305 ( 0.000 -7.292 0.000) 7.292 13.557 ( 0.000 0.956 0.000) 0.956 13.604 ( 0.000 -2.154 0.000) 2.154 13.666 ( 0.000 -3.556 0.000) 3.556 13.724 ( 0.000 -4.966 0.000) 4.966 13.769 ( 0.000 -6.280 0.000) 6.280 13.992 ( 0.000 -1.766 0.000) 1.766 14.017 ( 0.000 -0.302 0.000) 0.302 14.174 ( 0.000 -3.003 0.000) 3.003 14.443 ( 0.000 0.395 0.000) 0.395 14.582 ( 0.000 1.719 0.000) 1.719 14.596 ( 0.000 -3.976 0.000) 3.976 14.857 ( 0.000 1.328 0.000) 1.328 14.933 ( 0.000 3.659 0.000) 3.659 14.979 ( 0.000 2.335 0.000) 2.335 15.167 ( 0.000 -4.961 0.000) 4.961 15.390 ( 0.000 -6.560 0.000) 6.560 15.563 ( 0.000 -5.451 0.000) 5.451 15.639 ( 0.000 3.025 0.000) 3.025 15.926 ( 0.000 -4.818 0.000) 4.818 16.027 ( 0.000 5.347 0.000) 5.347 16.179 ( 0.000 1.572 0.000) 1.572 16.207 ( 0.000 0.715 0.000) 0.715 16.239 ( 0.000 1.472 0.000) 1.472 16.446 ( 0.000 -0.568 0.000) 0.568 16.520 ( 0.000 0.130 0.000) 0.130 16.687 ( 0.000 -2.767 0.000) 2.767 16.823 ( 0.000 7.933 0.000) 7.933 16.887 ( 0.000 -0.372 0.000) 0.372 16.983 ( 0.000 -1.927 0.000) 1.927 17.088 ( 0.000 -4.113 0.000) 4.113 17.239 ( 0.000 0.272 0.000) 0.272 17.299 ( 0.000 8.896 0.000) 8.896 17.358 ( 0.000 6.264 0.000) 6.264 17.523 ( 0.000 -3.488 0.000) 3.488 17.688 ( 0.000 -4.828 0.000) 4.828 17.966 ( 0.000 10.400 0.000) 10.400 18.263 ( 0.000 -3.558 0.000) 3.558 18.780 ( 0.000 -20.795 0.000) 20.795 18.888 ( 0.000 12.631 0.000) 12.631 19.224 ( 0.000 -0.026 0.000) 0.026 19.492 ( 0.000 1.081 0.000) 1.081 19.609 ( 0.000 0.118 0.000) 0.118 21.837 ( 0.000 1.029 0.000) 1.029 22.158 ( 0.000 4.066 0.000) 4.066 22.422 ( 0.000 -3.355 0.000) 3.355 22.754 ( 0.000 -7.294 0.000) 7.294 23.696 ( 0.000 -1.144 0.000) 1.144 23.818 ( 0.000 -0.278 0.000) 0.278 24.309 ( 0.000 -0.004 0.000) 0.004 24.402 ( 0.000 8.848 0.000) 8.848 24.686 ( 0.000 2.886 0.000) 2.886 24.810 ( 0.000 -5.882 0.000) 5.882 24.830 ( 0.000 -1.888 0.000) 1.888 24.935 ( 0.000 2.619 0.000) 2.619 25.119 ( 0.000 2.626 0.000) 2.626 25.369 ( 0.000 0.452 0.000) 0.452 25.641 ( 0.000 -1.658 0.000) 1.658 26.019 ( 0.000 1.999 0.000) 1.999 ======================= Grid point 16 (11/65) ======================= q-point: ( 0.20 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.623 ( 11.761 34.933 11.119) 38.500 2.782 ( 6.139 34.160 4.781) 35.035 3.863 ( -2.622 2.580 -2.146) 4.258 3.902 ( -1.812 -5.543 -2.771) 6.456 3.917 ( -5.346 -1.893 -7.478) 9.385 4.074 ( -8.949 4.671 -3.228) 10.599 4.252 ( 14.742 29.755 2.083) 33.272 4.369 ( -12.168 0.620 -3.378) 12.644 4.547 ( 1.355 1.190 -0.657) 1.920 4.633 ( 1.037 -0.182 3.787) 3.931 4.714 ( 2.002 5.162 7.800) 9.565 4.743 ( -3.095 2.668 6.231) 7.451 4.808 ( 3.099 5.784 2.199) 6.920 4.884 ( 4.601 -0.587 -4.650) 6.568 5.123 ( -2.486 2.280 8.623) 9.260 5.328 ( -5.563 -6.525 -0.418) 8.584 5.458 ( -1.248 2.753 2.174) 3.723 5.471 ( 0.385 15.872 0.733) 15.893 5.577 ( 0.484 1.601 -0.437) 1.729 5.817 ( -2.278 -1.580 3.187) 4.224 5.854 ( -4.794 -3.520 4.503) 7.460 5.979 ( 6.164 -3.802 2.148) 7.554 6.018 ( -4.270 3.120 1.029) 5.388 6.235 ( 2.550 -7.955 -4.234) 9.365 6.281 ( 4.922 2.764 1.723) 5.902 6.371 ( -3.298 -1.765 4.398) 5.774 6.523 ( -0.528 7.999 -3.391) 8.704 6.558 ( 4.615 -2.012 -0.242) 5.040 6.662 ( 4.870 5.145 3.016) 7.700 6.725 ( -0.680 0.795 -1.738) 2.029 6.822 ( -0.500 12.330 -1.396) 12.419 6.974 ( 5.822 6.692 -7.482) 11.604 7.125 ( -2.662 4.440 0.251) 5.183 7.220 ( -6.344 3.772 0.923) 7.438 7.291 ( -1.554 -1.464 -14.354) 14.512 7.338 ( 5.219 1.467 -3.493) 6.449 7.460 ( 2.921 5.074 -2.952) 6.557 7.464 ( 3.301 1.827 2.584) 4.573 7.634 ( 1.614 6.623 -1.513) 6.983 7.842 ( 0.993 6.979 2.175) 7.377 7.881 ( -5.554 3.795 -5.929) 8.966 7.926 ( -2.461 1.716 -13.830) 14.152 7.946 ( -3.467 -5.252 -6.169) 8.812 8.089 ( -2.420 -2.667 -5.100) 6.243 8.224 ( 3.329 5.314 -1.719) 6.502 8.313 ( -2.164 0.578 -3.366) 4.043 8.374 ( 2.206 3.954 5.534) 7.150 8.555 ( -2.098 -3.447 -1.749) 4.398 8.565 ( -3.642 6.077 1.614) 7.266 8.724 ( -1.504 -1.140 8.683) 8.885 8.754 ( 3.273 -2.949 -0.427) 4.426 8.931 ( -3.795 2.385 1.734) 4.806 8.982 ( 0.381 4.422 -6.843) 8.157 9.078 ( 3.666 -7.371 6.438) 10.451 9.237 ( -0.380 2.537 5.399) 5.978 9.337 ( 7.867 2.450 8.750) 12.019 9.432 ( 3.745 1.232 5.723) 6.949 9.555 ( -2.614 3.614 0.464) 4.484 9.659 ( 6.076 -0.098 0.743) 6.122 9.709 ( -2.283 4.413 3.906) 6.320 9.807 ( -0.855 2.544 3.512) 4.420 9.911 ( -0.538 5.324 1.260) 5.497 9.989 ( 3.389 0.772 -4.527) 5.707 10.014 ( -2.803 -4.370 -2.845) 5.920 10.102 ( -4.584 2.096 0.641) 5.081 10.241 ( 2.368 1.158 4.086) 4.863 10.392 ( 1.974 -6.650 1.172) 7.035 10.439 ( 0.571 1.471 7.857) 8.014 10.511 ( -3.943 -11.354 -2.409) 12.258 10.613 ( -4.163 -5.777 -2.563) 7.569 10.687 ( -9.722 1.722 4.701) 10.935 10.751 ( -6.005 -4.146 3.793) 8.225 10.854 ( -3.898 2.508 -3.110) 5.582 10.950 ( -0.221 -0.287 0.869) 0.942 10.990 ( 1.884 5.726 -8.565) 10.474 11.095 ( 4.902 1.195 3.523) 6.154 11.164 ( 1.668 3.557 -0.223) 3.936 11.225 ( 2.052 -0.401 -1.508) 2.578 11.315 ( 4.207 -1.311 -2.379) 5.008 11.331 ( -2.500 1.134 3.425) 4.389 11.401 ( 2.736 -0.785 3.381) 4.420 11.482 ( 0.919 -2.344 2.700) 3.692 11.570 ( 4.785 -2.518 0.521) 5.432 11.586 ( -0.231 0.346 -7.447) 7.459 11.663 ( 2.500 -3.129 -3.673) 5.435 11.746 ( 1.067 0.652 -2.901) 3.159 11.775 ( -2.618 1.323 3.499) 4.566 11.811 ( -3.694 -6.681 3.241) 8.294 11.885 ( -2.031 0.616 -1.790) 2.777 11.922 ( 1.219 -1.009 -3.894) 4.204 11.967 ( -2.603 -5.611 3.910) 7.318 12.072 ( 5.662 0.760 -2.254) 6.141 12.140 ( 0.195 -0.622 -2.833) 2.907 12.228 ( 2.605 -3.784 0.439) 4.615 12.335 ( -0.270 -6.580 -3.421) 7.421 12.382 ( 1.114 -0.094 -0.693) 1.316 12.481 ( -1.856 0.141 -2.400) 3.038 12.500 ( -0.547 -1.714 1.532) 2.363 12.651 ( -0.342 0.703 4.868) 4.931 12.793 ( 2.688 2.664 1.679) 4.140 12.833 ( 0.433 -2.428 7.086) 7.502 12.905 ( -0.098 0.932 0.386) 1.014 13.000 ( -3.105 -0.581 -1.680) 3.578 13.076 ( 1.879 -0.795 -2.212) 3.009 13.135 ( -1.793 -5.307 -2.642) 6.194 13.205 ( 1.827 -1.059 0.973) 2.325 13.336 ( 1.113 -7.159 -0.429) 7.258 13.507 ( -0.727 1.699 -5.817) 6.104 13.632 ( 1.061 -2.793 -2.231) 3.729 13.689 ( -0.070 -2.316 2.146) 3.158 13.736 ( 4.778 -4.618 -1.059) 6.729 13.795 ( -1.171 -8.422 4.901) 9.814 13.963 ( -2.642 1.651 -0.417) 3.143 14.017 ( -1.180 -1.188 2.386) 2.915 14.093 ( -5.422 -3.372 -3.895) 7.479 14.411 ( -2.165 -0.773 5.769) 6.210 14.594 ( 3.058 -2.305 0.820) 3.916 14.713 ( 3.327 5.018 -1.140) 6.128 14.822 ( 0.791 1.173 0.501) 1.501 14.869 ( 0.040 -3.198 -1.523) 3.542 15.178 ( 3.093 -3.473 1.340) 4.840 15.191 ( 8.036 3.952 1.908) 9.156 15.422 ( 4.010 -4.391 -4.445) 7.424 15.534 ( -1.090 -5.996 -3.244) 6.904 15.660 ( -0.173 1.750 4.622) 4.945 15.866 ( -11.183 1.384 7.638) 13.613 15.928 ( -5.199 2.119 -5.430) 7.811 15.959 ( -5.691 -2.345 -2.355) 6.590 16.209 ( 0.980 0.957 -0.851) 1.613 16.353 ( 1.851 3.852 -2.396) 4.900 16.477 ( 1.400 -0.826 1.860) 2.471 16.559 ( 1.138 2.382 -2.147) 3.402 16.639 ( -3.529 -2.860 0.154) 4.545 16.786 ( -3.053 3.925 -4.302) 6.576 16.835 ( -0.363 3.327 -0.262) 3.357 16.980 ( -2.032 -2.742 1.341) 3.667 17.049 ( -0.175 -1.237 -1.046) 1.629 17.141 ( -6.493 0.168 -0.340) 6.504 17.316 ( -0.372 5.423 0.553) 5.464 17.456 ( 4.065 5.174 3.150) 7.295 17.494 ( -2.185 -1.873 1.623) 3.304 17.695 ( 1.231 -2.962 -0.205) 3.214 18.018 ( 1.788 8.082 4.033) 9.208 18.394 ( 7.570 -5.258 12.593) 15.606 18.804 ( 1.447 -15.098 3.553) 15.578 18.901 ( 2.901 9.868 -6.398) 12.113 19.240 ( 4.144 -0.946 -9.692) 10.583 19.469 ( -1.395 0.458 -1.083) 1.824 19.563 ( -1.927 -0.420 -5.908) 6.229 21.824 ( -1.015 0.764 -0.147) 1.279 22.182 ( 1.574 4.784 0.825) 5.103 22.411 ( -0.750 -3.054 -0.502) 3.185 22.797 ( 2.728 -9.574 2.574) 10.283 23.692 ( -0.199 -1.113 -0.233) 1.155 23.819 ( -0.013 -0.259 0.175) 0.313 24.314 ( 0.422 0.047 0.059) 0.429 24.407 ( 0.441 8.727 -0.027) 8.739 24.688 ( 0.258 2.949 -0.082) 2.962 24.822 ( 1.847 -5.750 -1.866) 6.322 24.840 ( 0.160 -2.308 1.682) 2.860 24.935 ( -0.334 3.002 0.889) 3.149 25.112 ( -0.325 2.522 -0.589) 2.611 25.377 ( 0.655 1.251 0.371) 1.460 25.597 ( -4.050 -1.400 -0.390) 4.302 25.976 ( -3.066 2.705 -0.842) 4.174 ======================= Grid point 17 (12/65) ======================= q-point: ( 0.40 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.998 ( 9.717 26.048 5.582) 28.357 3.006 ( 12.772 30.588 12.995) 35.604 3.483 ( -14.162 22.364 -10.343) 28.420 3.718 ( -11.936 12.110 -7.248) 18.484 3.941 ( 3.381 -13.702 -2.345) 14.307 4.062 ( -4.430 -3.894 -1.261) 6.031 4.149 ( 4.639 -0.972 5.609) 7.343 4.430 ( -5.853 -9.743 -3.415) 11.868 4.639 ( 3.010 1.170 -4.238) 5.328 4.704 ( 5.856 5.799 1.191) 8.327 4.734 ( 3.157 13.279 6.022) 14.918 4.833 ( 5.821 1.350 5.799) 8.326 4.847 ( 2.113 2.122 -2.027) 3.616 5.011 ( 6.486 6.766 5.481) 10.857 5.174 ( -0.591 -4.380 7.440) 8.653 5.249 ( -4.941 -1.840 0.439) 5.291 5.352 ( -8.927 8.420 -3.000) 12.633 5.418 ( -6.944 -6.410 1.498) 9.568 5.578 ( 4.242 4.717 -6.060) 8.773 5.650 ( -7.262 8.515 6.800) 13.095 5.886 ( 1.042 2.840 0.343) 3.045 5.934 ( -2.871 3.050 -0.740) 4.253 6.137 ( 2.175 -11.650 6.528) 13.530 6.221 ( 2.050 -1.302 -2.839) 3.736 6.319 ( -1.220 0.369 -0.215) 1.292 6.391 ( 1.065 -3.986 -2.340) 4.744 6.538 ( 5.332 12.865 -8.493) 16.312 6.653 ( -3.243 8.595 5.263) 10.587 6.741 ( 6.272 3.480 5.693) 9.158 6.806 ( 1.958 4.709 1.917) 5.448 6.848 ( 5.149 1.441 5.594) 7.738 6.957 ( -1.582 10.326 -5.199) 11.669 7.040 ( -5.941 4.153 -8.563) 11.219 7.131 ( 1.613 1.154 2.886) 3.502 7.210 ( 0.705 1.493 -5.534) 5.776 7.367 ( -1.427 7.267 1.259) 7.512 7.420 ( -3.279 1.097 -13.619) 14.051 7.476 ( -4.996 -3.934 2.394) 6.795 7.574 ( -0.718 7.958 -12.200) 14.584 7.695 ( 3.371 7.539 -1.407) 8.378 7.788 ( -2.559 18.331 1.738) 18.590 7.923 ( 1.492 3.144 -2.851) 4.499 8.001 ( -0.147 -3.214 -1.299) 3.470 8.100 ( 9.607 4.045 7.595) 12.897 8.174 ( -3.430 3.364 -2.431) 5.384 8.286 ( -0.919 12.688 -7.368) 14.701 8.446 ( 3.556 7.718 3.842) 9.326 8.525 ( -1.799 -3.792 0.117) 4.199 8.605 ( -0.377 -4.222 5.662) 7.073 8.688 ( -1.855 -4.511 0.463) 4.899 8.768 ( -4.736 -6.247 2.583) 8.254 8.863 ( 0.116 -0.995 -2.976) 3.141 9.043 ( 11.253 0.853 -5.775) 12.677 9.191 ( -2.131 -5.030 4.535) 7.100 9.276 ( 2.438 -8.316 4.692) 9.854 9.355 ( -12.155 -0.690 -0.046) 12.175 9.499 ( 3.300 -0.332 4.498) 5.589 9.612 ( -2.981 4.868 -2.555) 6.254 9.634 ( 4.990 1.320 5.943) 7.872 9.749 ( 1.029 5.243 1.628) 5.586 9.857 ( 0.090 5.465 3.272) 6.370 9.889 ( -2.971 1.576 -1.587) 3.719 9.935 ( 3.549 2.102 -4.749) 6.290 10.051 ( 2.350 -9.586 2.039) 10.078 10.144 ( 0.282 -0.415 4.727) 4.754 10.235 ( -2.333 1.138 -3.124) 4.061 10.390 ( 0.311 -7.311 2.004) 7.587 10.469 ( -2.356 5.246 5.725) 8.114 10.494 ( 0.612 -5.380 -3.123) 6.251 10.537 ( -2.093 -6.118 1.215) 6.579 10.570 ( -1.635 -3.853 1.161) 4.344 10.664 ( -4.253 -4.277 -0.054) 6.032 10.776 ( -0.924 -0.423 -0.306) 1.062 10.917 ( -1.305 8.401 -5.901) 10.349 10.994 ( 1.970 -0.798 1.415) 2.554 11.159 ( -1.117 1.523 -0.020) 1.889 11.230 ( 2.957 -4.463 6.463) 8.392 11.274 ( 0.832 -3.572 1.628) 4.013 11.344 ( 1.865 1.861 -2.164) 3.409 11.356 ( 4.850 -1.542 -2.597) 5.713 11.452 ( -1.814 -1.548 3.011) 3.841 11.496 ( -4.632 2.672 -1.389) 5.525 11.525 ( 1.085 1.753 -1.510) 2.555 11.580 ( -4.891 -3.046 3.663) 6.828 11.632 ( -0.964 0.179 -3.631) 3.761 11.693 ( -1.025 5.397 -1.090) 5.601 11.750 ( 1.599 1.202 -5.704) 6.045 11.839 ( 6.982 4.615 -6.374) 10.520 11.889 ( -0.584 -9.268 0.504) 9.300 11.897 ( -1.034 1.466 3.193) 3.662 11.965 ( 1.397 -5.770 3.025) 6.663 12.088 ( -3.452 5.004 -0.712) 6.121 12.210 ( 4.696 0.870 1.297) 4.949 12.285 ( 0.443 -3.459 0.106) 3.489 12.325 ( 0.381 -4.480 -2.715) 5.253 12.384 ( -1.675 -0.987 0.043) 1.945 12.423 ( 0.760 -2.332 -0.491) 2.501 12.539 ( 4.920 -1.132 -1.247) 5.200 12.648 ( -5.187 -1.399 3.555) 6.442 12.855 ( 0.824 -2.255 1.110) 2.645 12.878 ( -0.346 -3.520 0.881) 3.645 12.932 ( 2.629 -1.282 3.763) 4.766 13.006 ( 0.992 -1.226 0.549) 1.670 13.061 ( 1.340 -2.443 0.857) 2.915 13.074 ( -0.893 -5.556 0.560) 5.655 13.219 ( -3.685 -6.159 -4.541) 8.493 13.336 ( 1.362 0.073 -1.614) 2.113 13.513 ( 4.041 1.052 -0.611) 4.220 13.603 ( -1.251 -2.206 -3.651) 4.445 13.681 ( -2.508 -1.688 2.437) 3.883 13.790 ( -1.124 -8.887 2.241) 9.234 13.806 ( 2.890 -2.748 -4.333) 5.889 13.875 ( -6.240 -3.220 0.229) 7.025 13.981 ( 0.748 -0.595 -0.493) 1.076 14.082 ( 2.972 2.246 1.990) 4.223 14.417 ( -2.155 -4.769 4.491) 6.896 14.678 ( 3.751 -1.422 0.932) 4.118 14.735 ( 0.327 4.368 -1.560) 4.650 14.788 ( -3.039 0.406 1.005) 3.227 14.930 ( 2.946 -0.355 -0.074) 2.968 15.206 ( 0.532 -6.417 0.930) 6.506 15.351 ( 4.224 4.542 -3.929) 7.342 15.464 ( 3.500 3.391 -0.225) 4.879 15.507 ( -0.016 -10.309 -0.680) 10.331 15.623 ( -4.826 6.795 -2.808) 8.795 15.726 ( -2.128 1.467 3.830) 4.621 15.814 ( -2.692 0.212 -0.942) 2.860 15.971 ( 1.274 -4.638 5.407) 7.237 16.218 ( -0.344 -0.320 0.191) 0.507 16.279 ( -3.033 4.694 -4.620) 7.251 16.481 ( 0.188 0.346 -4.260) 4.278 16.498 ( -4.429 5.011 2.334) 7.083 16.616 ( 0.501 -1.209 -1.756) 2.190 16.730 ( 0.716 0.370 2.350) 2.484 16.862 ( 0.487 3.057 -1.884) 3.624 16.951 ( 0.753 -2.914 -1.774) 3.494 17.000 ( -5.664 -2.055 2.529) 6.534 17.071 ( 0.126 -1.393 0.456) 1.471 17.295 ( -0.725 2.950 -0.921) 3.175 17.476 ( -0.726 -0.708 2.558) 2.752 17.513 ( 0.631 4.136 -0.982) 4.297 17.740 ( 1.888 1.575 0.719) 2.562 18.069 ( 0.772 6.467 1.910) 6.788 18.669 ( 4.855 -6.784 18.276) 20.090 18.832 ( 2.364 0.337 -16.853) 17.021 18.955 ( 1.925 -0.121 17.415) 17.521 19.175 ( 0.248 -4.234 -20.885) 21.311 19.442 ( -0.612 0.370 0.031) 0.716 19.483 ( -1.726 -0.824 -1.580) 2.481 21.804 ( -0.605 0.267 -0.134) 0.674 22.214 ( 0.746 6.127 0.423) 6.187 22.393 ( -0.467 -2.533 -0.296) 2.593 22.867 ( 1.689 -12.852 1.487) 13.048 23.687 ( -0.121 -1.065 -0.137) 1.081 23.819 ( -0.010 -0.231 0.103) 0.253 24.323 ( 0.264 0.130 0.039) 0.297 24.415 ( 0.298 8.482 -0.009) 8.487 24.693 ( 0.176 3.068 -0.046) 3.073 24.847 ( 1.703 -5.166 -1.810) 5.732 24.854 ( -0.260 -3.411 1.556) 3.758 24.937 ( -0.149 3.550 0.730) 3.628 25.102 ( -0.220 2.450 -0.292) 2.477 25.408 ( 2.316 2.548 0.651) 3.505 25.491 ( -4.928 0.205 -0.999) 5.033 25.920 ( -1.470 2.168 -0.233) 2.629 ======================= Grid point 20 (13/65) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.139 ( 0.000 0.000 0.000) 0.000 3.229 ( 0.000 0.000 0.000) 0.000 3.246 ( 0.000 -0.000 0.000) 0.000 3.749 ( 0.000 0.000 0.000) 0.000 4.124 ( 0.000 0.000 0.000) 0.000 4.359 ( 0.000 0.000 0.000) 0.000 4.513 ( 0.000 0.000 0.000) 0.000 4.566 ( 0.000 0.000 0.000) 0.000 4.619 ( 0.000 0.000 0.000) 0.000 4.654 ( 0.000 0.000 0.000) 0.000 4.674 ( 0.000 0.000 0.000) 0.000 4.761 ( 0.000 0.000 0.000) 0.000 4.852 ( 0.000 0.000 0.000) 0.000 4.875 ( 0.000 0.000 0.000) 0.000 5.132 ( 0.000 0.000 0.000) 0.000 5.365 ( 0.000 0.000 0.000) 0.000 5.426 ( 0.000 0.000 0.000) 0.000 5.607 ( 0.000 0.000 0.000) 0.000 5.717 ( 0.000 0.000 0.000) 0.000 5.740 ( 0.000 -0.000 0.000) 0.000 5.804 ( 0.000 0.000 0.000) 0.000 5.869 ( 0.000 0.000 0.000) 0.000 5.928 ( 0.000 -0.000 0.000) 0.000 6.202 ( 0.000 0.000 0.000) 0.000 6.302 ( 0.000 0.000 0.000) 0.000 6.367 ( 0.000 0.000 0.000) 0.000 6.382 ( 0.000 0.000 0.000) 0.000 6.665 ( 0.000 0.000 0.000) 0.000 6.733 ( 0.000 0.000 0.000) 0.000 6.801 ( 0.000 0.000 0.000) 0.000 6.917 ( 0.000 0.000 0.000) 0.000 7.041 ( 0.000 0.000 0.000) 0.000 7.164 ( 0.000 -0.000 0.000) 0.000 7.187 ( 0.000 0.000 0.000) 0.000 7.325 ( 0.000 0.000 0.000) 0.000 7.379 ( 0.000 0.000 0.000) 0.000 7.462 ( 0.000 0.000 0.000) 0.000 7.584 ( 0.000 0.000 0.000) 0.000 7.644 ( 0.000 -0.000 0.000) 0.000 7.658 ( 0.000 0.000 0.000) 0.000 7.883 ( 0.000 0.000 0.000) 0.000 8.060 ( 0.000 0.000 0.000) 0.000 8.114 ( 0.000 0.000 0.000) 0.000 8.143 ( 0.000 -12.770 0.000) 12.770 8.143 ( 0.000 12.770 0.000) 12.770 8.426 ( 0.000 0.000 0.000) 0.000 8.451 ( 0.000 0.000 0.000) 0.000 8.556 ( 0.000 -0.000 0.000) 0.000 8.586 ( 0.000 0.000 0.000) 0.000 8.634 ( 0.000 0.000 0.000) 0.000 8.825 ( 0.000 0.000 0.000) 0.000 8.956 ( 0.000 0.000 0.000) 0.000 9.102 ( 0.000 0.000 0.000) 0.000 9.119 ( 0.000 0.000 0.000) 0.000 9.201 ( 0.000 0.000 0.000) 0.000 9.302 ( 0.000 0.000 0.000) 0.000 9.355 ( 0.000 0.000 0.000) 0.000 9.534 ( 0.000 0.000 0.000) 0.000 9.684 ( 0.000 0.000 0.000) 0.000 9.844 ( 0.000 -0.000 0.000) 0.000 9.847 ( 0.000 0.000 0.000) 0.000 9.862 ( 0.000 0.000 0.000) 0.000 9.882 ( 0.000 0.000 0.000) 0.000 9.987 ( 0.000 -0.000 0.000) 0.000 10.190 ( 0.000 0.000 0.000) 0.000 10.204 ( 0.000 -0.000 0.000) 0.000 10.296 ( 0.000 0.000 0.000) 0.000 10.361 ( 0.000 0.000 0.000) 0.000 10.475 ( 0.000 -0.000 0.000) 0.000 10.583 ( 0.000 0.000 0.000) 0.000 10.779 ( 0.000 0.000 0.000) 0.000 10.868 ( 0.000 0.000 0.000) 0.000 10.952 ( 0.000 0.000 0.000) 0.000 10.984 ( 0.000 0.000 0.000) 0.000 11.058 ( 0.000 0.000 0.000) 0.000 11.111 ( 0.000 -0.000 0.000) 0.000 11.162 ( 0.000 0.000 0.000) 0.000 11.224 ( 0.000 -0.000 0.000) 0.000 11.231 ( 0.000 0.000 0.000) 0.000 11.326 ( 0.000 -0.000 0.000) 0.000 11.345 ( 0.000 0.000 0.000) 0.000 11.355 ( 0.000 0.000 0.000) 0.000 11.474 ( 0.000 0.000 0.000) 0.000 11.496 ( 0.000 -0.000 0.000) 0.000 11.637 ( 0.000 0.000 0.000) 0.000 11.755 ( 0.000 0.000 0.000) 0.000 11.766 ( 0.000 0.000 0.000) 0.000 11.829 ( 0.000 0.000 0.000) 0.000 11.845 ( 0.000 0.000 0.000) 0.000 11.926 ( 0.000 -0.000 0.000) 0.000 11.989 ( 0.000 0.000 0.000) 0.000 12.059 ( 0.000 0.000 0.000) 0.000 12.136 ( 0.000 0.000 0.000) 0.000 12.188 ( 0.000 0.000 0.000) 0.000 12.263 ( 0.000 0.000 0.000) 0.000 12.306 ( 0.000 -0.000 0.000) 0.000 12.504 ( 0.000 0.000 0.000) 0.000 12.524 ( 0.000 0.000 0.000) 0.000 12.693 ( 0.000 0.000 0.000) 0.000 12.762 ( 0.000 -0.000 0.000) 0.000 12.869 ( 0.000 0.000 0.000) 0.000 12.904 ( 0.000 0.000 0.000) 0.000 12.987 ( 0.000 0.000 0.000) 0.000 13.101 ( 0.000 0.000 0.000) 0.000 13.102 ( 0.000 0.000 0.000) 0.000 13.129 ( 0.000 -0.000 0.000) 0.000 13.249 ( 0.000 0.000 0.000) 0.000 13.571 ( 0.000 0.000 0.000) 0.000 13.578 ( 0.000 0.000 0.000) 0.000 13.629 ( 0.000 0.000 0.000) 0.000 13.661 ( 0.000 0.000 0.000) 0.000 13.705 ( 0.000 0.000 0.000) 0.000 13.965 ( 0.000 0.000 0.000) 0.000 14.031 ( 0.000 0.000 0.000) 0.000 14.144 ( 0.000 0.000 0.000) 0.000 14.494 ( 0.000 0.000 0.000) 0.000 14.499 ( 0.000 -0.000 0.000) 0.000 14.599 ( 0.000 0.000 0.000) 0.000 14.866 ( 0.000 0.000 0.000) 0.000 14.980 ( 0.000 0.000 0.000) 0.000 15.033 ( 0.000 0.000 0.000) 0.000 15.107 ( 0.000 0.000 0.000) 0.000 15.286 ( 0.000 0.000 0.000) 0.000 15.519 ( 0.000 0.000 0.000) 0.000 15.676 ( 0.000 0.000 0.000) 0.000 15.869 ( 0.000 0.000 0.000) 0.000 16.116 ( 0.000 0.000 0.000) 0.000 16.127 ( 0.000 0.000 0.000) 0.000 16.255 ( 0.000 0.000 0.000) 0.000 16.263 ( 0.000 0.000 0.000) 0.000 16.431 ( 0.000 0.000 0.000) 0.000 16.537 ( 0.000 0.000 0.000) 0.000 16.647 ( 0.000 0.000 0.000) 0.000 16.876 ( 0.000 0.000 0.000) 0.000 16.911 ( 0.000 0.000 0.000) 0.000 16.960 ( 0.000 0.000 0.000) 0.000 17.048 ( 0.000 0.000 0.000) 0.000 17.239 ( 0.000 0.000 0.000) 0.000 17.413 ( 0.000 0.000 0.000) 0.000 17.489 ( 0.000 0.000 0.000) 0.000 17.499 ( 0.000 0.000 0.000) 0.000 17.536 ( 0.000 -0.000 0.000) 0.000 18.165 ( 0.000 0.000 0.000) 0.000 18.218 ( 0.000 0.000 0.000) 0.000 18.483 ( 0.000 -0.000 0.000) 0.000 19.030 ( 0.000 0.000 0.000) 0.000 19.215 ( 0.000 0.000 0.000) 0.000 19.510 ( 0.000 0.000 0.000) 0.000 19.601 ( 0.000 0.000 0.000) 0.000 21.849 ( 0.000 0.000 0.000) 0.000 22.208 ( 0.000 0.000 0.000) 0.000 22.385 ( 0.000 0.000 0.000) 0.000 22.669 ( 0.000 0.000 0.000) 0.000 23.684 ( 0.000 0.000 0.000) 0.000 23.815 ( 0.000 0.000 0.000) 0.000 24.310 ( 0.000 0.000 0.000) 0.000 24.528 ( 0.000 0.000 0.000) 0.000 24.708 ( 0.000 0.000 0.000) 0.000 24.715 ( 0.000 -0.000 0.000) 0.000 24.809 ( 0.000 0.000 0.000) 0.000 24.971 ( 0.000 0.000 0.000) 0.000 25.145 ( 0.000 0.000 0.000) 0.000 25.374 ( 0.000 0.000 0.000) 0.000 25.625 ( 0.000 0.000 0.000) 0.000 26.040 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 22 (14/65) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.234 ( 7.904 0.000 2.213) 8.208 3.329 ( 6.080 0.000 3.600) 7.066 3.334 ( 7.112 -0.000 5.385) 8.921 3.777 ( 0.727 0.000 5.512) 5.560 4.063 ( -6.552 0.000 -2.331) 6.954 4.175 ( -11.099 0.000 -6.433) 12.828 4.371 ( -6.124 0.000 -11.648) 13.160 4.421 ( -14.170 0.000 -5.038) 15.039 4.635 ( 4.732 0.000 3.704) 6.009 4.657 ( 0.762 0.000 3.735) 3.811 4.765 ( 3.225 0.000 7.953) 8.582 4.772 ( -0.695 -0.000 6.057) 6.096 4.923 ( 0.970 -0.000 4.835) 4.931 4.934 ( 4.132 0.000 5.769) 7.096 5.125 ( -0.993 0.000 1.954) 2.192 5.170 ( -9.291 -0.000 -5.235) 10.665 5.456 ( 1.687 0.000 -2.589) 3.090 5.659 ( -9.736 0.000 2.205) 9.983 5.684 ( 1.773 0.000 3.509) 3.931 5.737 ( -2.441 0.000 9.867) 10.164 5.889 ( -0.317 0.000 7.377) 7.383 5.903 ( 5.918 -0.000 -0.433) 5.934 6.045 ( 4.442 -0.000 4.255) 6.151 6.115 ( 1.877 0.000 -17.351) 17.453 6.313 ( -1.332 0.000 2.713) 3.023 6.369 ( -0.798 0.000 2.003) 2.156 6.463 ( 7.813 0.000 4.869) 9.206 6.693 ( 6.282 0.000 -8.552) 10.611 6.710 ( 0.572 0.000 -1.437) 1.547 6.731 ( -0.318 -0.000 0.354) 0.476 7.026 ( 0.258 0.000 -4.421) 4.428 7.071 ( 3.906 0.000 -8.015) 8.916 7.109 ( -3.302 0.000 -1.473) 3.616 7.229 ( -2.823 0.000 9.626) 10.032 7.297 ( 3.517 0.000 -1.021) 3.662 7.331 ( -3.604 0.000 -6.040) 7.034 7.449 ( 8.274 0.000 0.038) 8.274 7.648 ( 5.436 0.000 -2.088) 5.823 7.739 ( 0.242 0.000 -2.872) 2.882 7.771 ( 7.750 0.000 -2.645) 8.189 7.843 ( -3.853 0.000 -21.251) 21.598 7.918 ( -5.080 0.000 -9.790) 11.029 7.963 ( 1.085 0.000 -5.941) 6.039 8.166 ( 0.280 0.000 6.070) 6.076 8.179 ( 2.236 -0.000 4.665) 5.173 8.385 ( -0.351 0.000 -2.235) 2.262 8.414 ( -0.406 0.000 0.122) 0.424 8.520 ( 0.153 0.000 -3.084) 3.088 8.648 ( 0.871 0.000 2.872) 3.001 8.678 ( -6.848 0.000 3.877) 7.869 8.842 ( 6.290 -0.000 11.677) 13.263 8.858 ( -11.624 0.000 -3.762) 12.217 8.954 ( -2.451 0.000 2.563) 3.547 9.172 ( -1.716 0.000 -7.983) 8.165 9.227 ( -2.514 0.000 3.055) 3.956 9.364 ( 4.625 0.000 7.047) 8.429 9.422 ( 3.865 0.000 5.360) 6.608 9.629 ( -9.259 0.000 -3.148) 9.780 9.694 ( 10.175 0.000 1.481) 10.282 9.741 ( 2.542 0.000 5.013) 5.621 9.795 ( 0.831 0.000 -2.923) 3.039 9.844 ( -2.451 0.000 0.100) 2.453 10.028 ( -0.208 0.000 4.851) 4.855 10.105 ( 4.396 -0.000 8.029) 9.154 10.164 ( 1.660 0.000 0.897) 1.886 10.222 ( -1.242 0.000 -0.678) 1.415 10.254 ( 1.617 0.000 -5.784) 6.006 10.357 ( -7.100 -0.000 -3.267) 7.815 10.425 ( 0.340 0.000 9.582) 9.588 10.566 ( -3.336 0.000 -2.278) 4.040 10.681 ( -8.994 0.000 3.962) 9.828 10.716 ( -13.269 0.000 7.708) 15.345 10.871 ( -3.142 0.000 1.906) 3.675 10.940 ( -2.222 0.000 0.834) 2.373 11.066 ( 0.373 0.000 -5.966) 5.978 11.168 ( 2.524 -0.000 -1.268) 2.825 11.188 ( 9.095 0.000 -10.170) 13.644 11.243 ( -2.471 0.000 2.335) 3.400 11.309 ( 4.909 0.000 2.220) 5.387 11.323 ( -2.277 0.000 2.654) 3.497 11.381 ( 1.094 0.000 3.269) 3.447 11.425 ( 2.242 -0.000 4.873) 5.364 11.521 ( 4.063 0.000 3.072) 5.093 11.575 ( 7.728 -0.000 -4.640) 9.014 11.606 ( -1.166 0.000 -2.847) 3.077 11.714 ( 1.250 0.000 -4.486) 4.657 11.766 ( -4.831 0.000 -1.445) 5.043 11.803 ( -7.459 0.000 9.039) 11.720 11.827 ( 3.216 0.000 -1.551) 3.571 11.944 ( 1.584 0.000 -1.176) 1.972 12.032 ( 1.442 0.000 -11.663) 11.752 12.082 ( 2.063 0.000 0.967) 2.279 12.098 ( 4.045 -0.000 1.143) 4.204 12.162 ( 1.466 0.000 0.944) 1.744 12.279 ( -1.749 0.000 -2.936) 3.417 12.372 ( 5.682 0.000 -1.241) 5.816 12.496 ( 1.608 0.000 -7.344) 7.518 12.496 ( -2.398 -0.000 3.315) 4.091 12.689 ( -2.884 0.000 6.279) 6.909 12.763 ( -1.853 -0.000 5.382) 5.692 12.812 ( -1.271 0.000 2.139) 2.488 12.906 ( -0.325 0.000 -0.309) 0.449 13.026 ( -5.372 0.000 0.772) 5.427 13.075 ( 1.088 0.000 -2.523) 2.748 13.112 ( 1.626 0.000 2.365) 2.870 13.127 ( 0.084 -0.000 -3.811) 3.812 13.268 ( 4.078 0.000 -1.655) 4.401 13.536 ( 0.199 0.000 -8.184) 8.187 13.591 ( -0.104 0.000 -1.576) 1.579 13.658 ( -2.981 0.000 6.961) 7.572 13.671 ( 5.847 -0.000 -2.864) 6.510 13.720 ( 0.216 0.000 4.791) 4.796 13.968 ( -0.048 0.000 -1.421) 1.422 14.026 ( -0.917 0.000 1.592) 1.837 14.059 ( -5.688 0.000 -4.971) 7.554 14.398 ( -5.215 0.000 6.816) 8.582 14.565 ( 5.143 0.000 0.642) 5.183 14.774 ( 9.904 0.000 -3.976) 10.672 14.834 ( -4.527 0.000 2.089) 4.986 14.837 ( -1.359 -0.000 -0.497) 1.447 15.122 ( 0.322 0.000 1.580) 1.612 15.283 ( 12.855 -0.000 1.206) 12.912 15.312 ( 3.250 0.000 -1.919) 3.775 15.492 ( -0.875 0.000 -4.823) 4.902 15.684 ( -0.706 0.000 3.879) 3.943 15.862 ( -5.445 0.000 12.593) 13.720 15.935 ( -5.857 0.000 -8.485) 10.310 15.964 ( -10.493 0.000 -3.810) 11.164 16.221 ( -0.437 0.000 -1.677) 1.733 16.396 ( 4.929 0.000 -1.731) 5.225 16.474 ( -0.864 0.000 2.217) 2.379 16.588 ( 3.910 0.000 -2.934) 4.889 16.596 ( -2.997 0.000 0.300) 3.012 16.811 ( -4.342 0.000 -1.478) 4.586 16.895 ( 0.238 0.000 -1.351) 1.372 16.948 ( -2.367 0.000 1.244) 2.674 17.038 ( 0.560 0.000 -0.460) 0.725 17.139 ( -8.022 0.000 -1.436) 8.150 17.397 ( -2.628 0.000 -2.432) 3.580 17.463 ( -1.538 0.000 2.810) 3.204 17.559 ( 0.253 0.000 0.294) 0.388 17.600 ( 7.418 0.000 5.238) 9.080 18.172 ( 0.159 0.000 0.811) 0.826 18.295 ( 3.752 0.000 9.950) 10.634 18.608 ( 6.878 -0.000 12.335) 14.123 19.016 ( 1.807 0.000 -11.057) 11.203 19.232 ( 4.013 0.000 -8.569) 9.462 19.477 ( -1.801 0.000 -1.602) 2.411 19.557 ( -1.997 0.000 -5.443) 5.797 21.833 ( -1.241 0.000 -0.315) 1.280 22.244 ( 2.383 0.000 1.701) 2.927 22.378 ( -0.508 0.000 -0.286) 0.584 22.684 ( 0.653 0.000 1.647) 1.772 23.681 ( -0.180 0.000 -0.208) 0.275 23.816 ( 0.021 0.000 0.148) 0.150 24.315 ( 0.431 0.000 0.088) 0.440 24.529 ( 0.130 0.000 -0.037) 0.135 24.719 ( 0.343 0.000 -0.063) 0.349 24.721 ( 1.393 -0.000 -0.674) 1.547 24.819 ( 0.685 0.000 0.283) 0.741 24.975 ( -0.054 0.000 1.007) 1.008 25.137 ( -0.179 0.000 -1.265) 1.278 25.389 ( 0.605 0.000 1.555) 1.668 25.583 ( -3.324 0.000 -0.759) 3.410 26.005 ( -2.814 0.000 -0.606) 2.878 ======================= Grid point 24 (15/65) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.454 ( 8.593 0.000 2.846) 9.052 3.497 ( 5.837 0.000 3.125) 6.621 3.518 ( 6.000 -0.000 6.478) 8.829 3.838 ( -2.663 0.000 3.685) 4.546 3.862 ( -13.171 -0.000 -6.794) 14.820 3.900 ( -2.420 0.000 0.832) 2.559 4.178 ( -4.030 0.000 -8.103) 9.050 4.190 ( -3.067 0.000 -4.054) 5.083 4.679 ( -0.323 0.000 -1.182) 1.225 4.696 ( -0.737 -0.000 4.611) 4.670 4.812 ( 0.777 0.000 -5.237) 5.294 4.887 ( -4.257 0.000 2.844) 5.119 4.979 ( 11.488 0.000 7.087) 13.498 5.052 ( 2.502 0.000 2.878) 3.813 5.119 ( 2.202 -0.000 7.049) 7.384 5.130 ( -0.867 0.000 3.676) 3.777 5.395 ( -14.610 0.000 -0.317) 14.613 5.458 ( 1.045 0.000 -3.677) 3.822 5.625 ( -5.653 0.000 1.306) 5.802 5.813 ( 1.367 0.000 7.391) 7.517 5.942 ( -2.012 0.000 -8.350) 8.589 5.956 ( 0.214 0.000 6.919) 6.922 5.988 ( 3.048 -0.000 -2.625) 4.022 6.220 ( 5.669 0.000 -2.395) 6.154 6.249 ( -3.548 0.000 0.252) 3.557 6.370 ( -0.551 0.000 -0.922) 1.075 6.667 ( -0.994 0.000 -3.064) 3.221 6.741 ( 12.758 0.000 2.507) 13.002 6.799 ( 3.254 0.000 2.346) 4.011 6.832 ( 3.917 0.000 8.300) 9.178 6.961 ( 3.141 0.000 -10.611) 11.066 7.040 ( -3.876 -0.000 -0.324) 3.889 7.153 ( 6.287 0.000 6.094) 8.756 7.178 ( -1.135 0.000 -4.809) 4.941 7.232 ( -5.352 0.000 -4.218) 6.815 7.275 ( -3.661 0.000 5.372) 6.501 7.435 ( -8.591 -0.000 -11.472) 14.332 7.439 ( -9.653 0.000 -12.386) 15.703 7.782 ( 4.033 -0.000 5.244) 6.616 7.783 ( 2.108 0.000 -5.122) 5.539 7.814 ( 8.963 0.000 -10.421) 13.746 7.932 ( -1.241 0.000 -3.300) 3.525 8.084 ( 15.398 0.000 -3.238) 15.735 8.201 ( -2.545 0.000 8.926) 9.282 8.315 ( -5.907 0.000 1.192) 6.026 8.354 ( 9.549 -0.000 3.496) 10.169 8.468 ( 2.604 0.000 1.779) 3.154 8.550 ( 3.103 0.000 -2.396) 3.920 8.601 ( -6.355 0.000 5.998) 8.739 8.611 ( -6.399 -0.000 -1.080) 6.489 8.755 ( 6.102 0.000 4.908) 7.831 8.783 ( -4.371 -0.000 -2.117) 4.857 9.027 ( -14.226 0.000 -4.745) 14.996 9.053 ( -2.998 0.000 0.868) 3.121 9.140 ( 5.461 0.000 -0.894) 5.533 9.468 ( -4.346 0.000 -0.889) 4.436 9.508 ( 6.035 0.000 3.963) 7.220 9.575 ( 8.066 -0.000 4.480) 9.226 9.750 ( -5.147 -0.000 -2.922) 5.919 9.792 ( -1.730 0.000 0.289) 1.754 9.810 ( 1.252 0.000 1.528) 1.975 9.915 ( 5.116 0.000 2.007) 5.496 10.001 ( -10.891 0.000 -1.642) 11.014 10.055 ( 3.478 0.000 5.777) 6.743 10.178 ( -3.684 0.000 -2.457) 4.428 10.200 ( 0.078 -0.000 -5.119) 5.120 10.275 ( -2.446 0.000 4.463) 5.089 10.324 ( 4.671 0.000 0.248) 4.677 10.430 ( -0.997 0.000 -2.969) 3.132 10.516 ( -0.308 0.000 4.608) 4.619 10.567 ( -2.475 0.000 10.709) 10.992 10.697 ( -0.292 0.000 4.660) 4.669 10.751 ( -5.435 0.000 -7.006) 8.867 10.963 ( 5.234 0.000 1.625) 5.481 11.067 ( 0.745 0.000 -0.260) 0.789 11.190 ( -5.527 0.000 -5.543) 7.827 11.198 ( 1.133 -0.000 -0.483) 1.232 11.202 ( -1.964 0.000 1.224) 2.314 11.314 ( 2.500 0.000 2.695) 3.676 11.348 ( -2.139 0.000 -3.162) 3.818 11.380 ( 2.140 -0.000 -2.460) 3.260 11.488 ( -3.795 0.000 3.448) 5.127 11.566 ( -0.169 -0.000 -0.489) 0.518 11.618 ( -1.315 0.000 4.804) 4.980 11.661 ( 1.270 -0.000 7.939) 8.040 11.708 ( 4.013 0.000 -6.984) 8.055 11.720 ( 1.632 0.000 -4.360) 4.655 11.763 ( 0.558 0.000 3.768) 3.809 11.898 ( -4.195 -0.000 -5.426) 6.859 11.912 ( 7.638 0.000 -2.954) 8.189 12.003 ( 1.847 0.000 -0.203) 1.858 12.125 ( -1.598 0.000 0.000) 1.598 12.160 ( -0.792 0.000 0.983) 1.263 12.215 ( -1.493 0.000 -2.058) 2.543 12.280 ( 10.166 0.000 -1.644) 10.298 12.428 ( -4.029 0.000 1.919) 4.462 12.452 ( -0.008 0.000 -0.093) 0.093 12.529 ( 6.941 0.000 -6.223) 9.322 12.644 ( -6.501 0.000 5.721) 8.660 12.764 ( -1.964 0.000 4.819) 5.204 12.882 ( -1.762 0.000 1.170) 2.115 12.885 ( 4.113 -0.000 4.714) 6.256 12.985 ( 1.266 0.000 1.422) 1.904 13.024 ( -2.043 0.000 -3.555) 4.101 13.065 ( -2.621 0.000 -4.328) 5.059 13.115 ( -1.176 0.000 -2.068) 2.379 13.366 ( 3.736 0.000 0.095) 3.737 13.510 ( 2.048 0.000 -3.867) 4.376 13.569 ( -0.573 0.000 -0.607) 0.835 13.652 ( -1.853 0.000 4.652) 5.007 13.709 ( 0.469 0.000 -0.114) 0.483 13.768 ( 0.112 0.000 0.438) 0.452 13.851 ( -5.597 0.000 -4.286) 7.049 13.981 ( -0.541 0.000 -0.647) 0.844 14.105 ( 7.807 0.000 -0.704) 7.838 14.351 ( -6.115 0.000 6.636) 9.024 14.664 ( 3.549 0.000 -0.596) 3.599 14.764 ( -1.370 0.000 -2.467) 2.822 14.821 ( -0.385 0.000 2.654) 2.682 14.927 ( 3.859 0.000 -0.147) 3.862 15.134 ( -0.187 0.000 1.156) 1.171 15.368 ( 3.193 0.000 -2.177) 3.865 15.425 ( -1.843 0.000 -3.027) 3.544 15.499 ( 7.142 0.000 -1.415) 7.281 15.702 ( -1.014 0.000 4.195) 4.315 15.766 ( -5.362 -0.000 -1.474) 5.561 15.783 ( -3.418 0.000 -0.055) 3.418 15.920 ( 1.705 0.000 4.706) 5.005 16.205 ( -0.128 0.000 -0.909) 0.918 16.334 ( -4.905 0.000 -3.012) 5.756 16.454 ( -1.112 0.000 -0.276) 1.146 16.585 ( -0.482 0.000 -1.875) 1.936 16.601 ( 1.390 0.000 -1.770) 2.251 16.762 ( -0.085 0.000 3.185) 3.186 16.887 ( -3.220 0.000 -0.701) 3.295 16.920 ( 3.087 0.000 -4.285) 5.282 16.973 ( -6.900 -0.000 3.604) 7.785 17.054 ( 0.656 0.000 -0.078) 0.661 17.328 ( -1.503 0.000 -1.640) 2.225 17.469 ( -0.131 0.000 1.652) 1.657 17.552 ( -0.347 0.000 -0.589) 0.683 17.757 ( 3.645 0.000 1.898) 4.109 18.182 ( 0.263 0.000 0.326) 0.419 18.497 ( 4.711 0.000 14.008) 14.779 18.888 ( 6.375 -0.000 18.700) 19.757 18.903 ( -1.727 0.000 -14.960) 15.059 19.185 ( 0.325 0.000 -17.561) 17.564 19.446 ( -0.529 0.000 0.051) 0.532 19.475 ( -1.764 0.000 -1.843) 2.551 21.807 ( -0.764 0.000 -0.226) 0.797 22.301 ( 1.406 0.000 1.008) 1.730 22.366 ( -0.313 0.000 -0.145) 0.345 22.708 ( 0.407 0.000 0.971) 1.053 23.676 ( -0.109 0.000 -0.123) 0.165 23.817 ( 0.011 0.000 0.088) 0.088 24.324 ( 0.270 0.000 0.057) 0.276 24.531 ( 0.075 0.000 -0.021) 0.078 24.725 ( 0.233 0.000 -0.034) 0.235 24.744 ( 0.965 0.000 -0.346) 1.025 24.834 ( 0.506 0.000 0.082) 0.513 24.982 ( 0.017 0.000 0.697) 0.698 25.126 ( -0.068 0.000 -0.718) 0.721 25.412 ( 0.415 0.000 0.914) 1.004 25.511 ( -2.256 0.000 -0.507) 2.313 25.946 ( -1.819 0.000 -0.394) 1.861 ======================= Grid point 45 (16/65) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( -8.253 0.000 40.379) 41.214 0.882 ( -2.510 0.000 42.586) 42.660 1.631 ( -0.891 0.000 77.696) 77.701 3.145 ( 5.214 0.000 -31.351) 31.782 3.249 ( 8.387 0.000 -30.898) 32.016 3.838 ( -15.616 0.000 0.636) 15.629 3.900 ( -24.204 0.000 -5.919) 24.917 4.032 ( 10.516 0.000 5.864) 12.040 4.145 ( 14.477 0.000 -8.709) 16.895 4.226 ( 6.393 0.000 0.907) 6.457 4.462 ( 2.491 0.000 1.158) 2.747 4.532 ( -1.380 0.000 10.516) 10.606 4.552 ( 2.571 0.000 16.709) 16.906 4.687 ( -5.389 0.000 11.706) 12.887 4.871 ( -1.688 0.000 5.842) 6.081 5.158 ( 0.392 0.000 -0.419) 0.574 5.442 ( 3.160 0.000 -8.764) 9.317 5.495 ( -2.416 0.000 0.149) 2.421 5.576 ( -1.311 0.000 -4.879) 5.052 5.695 ( 5.024 0.000 -0.404) 5.040 5.718 ( -2.095 0.000 3.892) 4.420 5.864 ( 1.718 0.000 -1.542) 2.309 5.891 ( -1.289 0.000 2.420) 2.741 6.157 ( -5.071 0.000 -2.787) 5.786 6.298 ( 3.926 0.000 -0.199) 3.931 6.306 ( 8.373 0.000 -4.016) 9.287 6.429 ( 1.660 0.000 4.662) 4.949 6.431 ( 0.322 0.000 -16.201) 16.204 6.571 ( -3.258 0.000 -1.372) 3.535 6.664 ( -2.656 0.000 0.489) 2.700 6.735 ( 3.524 0.000 9.613) 10.238 6.813 ( -0.316 0.000 -2.876) 2.893 6.929 ( 1.428 0.000 6.141) 6.305 7.148 ( -7.181 0.000 -1.811) 7.405 7.240 ( -0.013 0.000 0.078) 0.079 7.264 ( 2.678 0.000 -10.248) 10.592 7.383 ( -3.436 0.000 0.194) 3.441 7.389 ( -2.396 0.000 1.871) 3.040 7.645 ( -3.548 0.000 1.604) 3.893 7.787 ( 2.487 0.000 -8.881) 9.223 7.793 ( 2.341 0.000 8.204) 8.532 7.926 ( -4.208 0.000 3.396) 5.407 7.985 ( 4.838 0.000 -6.566) 8.156 8.016 ( -12.085 0.000 -9.708) 15.502 8.040 ( 0.666 0.000 -0.956) 1.165 8.265 ( 0.766 0.000 -1.303) 1.511 8.353 ( -2.810 0.000 -2.577) 3.812 8.470 ( 0.505 0.000 -3.816) 3.850 8.595 ( 9.716 0.000 -21.062) 23.195 8.749 ( 10.440 0.000 2.913) 10.839 8.906 ( -1.208 0.000 -5.028) 5.171 8.966 ( 15.013 0.000 2.904) 15.291 9.038 ( 7.830 0.000 6.148) 9.955 9.088 ( 2.248 0.000 -5.462) 5.907 9.165 ( -1.046 0.000 -1.743) 2.032 9.190 ( -1.589 0.000 10.430) 10.550 9.277 ( -3.425 0.000 0.188) 3.430 9.388 ( -1.734 0.000 -3.732) 4.115 9.439 ( 26.823 0.000 -3.977) 27.117 9.572 ( -8.830 0.000 1.073) 8.896 9.609 ( 10.822 0.000 -11.624) 15.882 9.783 ( 3.742 0.000 -3.860) 5.376 9.848 ( 2.732 0.000 6.125) 6.706 9.930 ( -1.939 0.000 2.661) 3.292 10.129 ( -4.879 0.000 17.119) 17.801 10.172 ( -7.505 0.000 4.571) 8.788 10.292 ( 0.831 0.000 5.701) 5.761 10.311 ( 4.295 0.000 -1.415) 4.522 10.406 ( -0.876 0.000 11.183) 11.217 10.475 ( 1.643 0.000 7.262) 7.445 10.670 ( -0.092 0.000 0.197) 0.218 10.791 ( -1.085 0.000 -3.464) 3.630 10.910 ( 1.697 0.000 0.709) 1.839 10.930 ( -1.588 0.000 1.430) 2.137 10.969 ( -2.079 0.000 6.712) 7.027 11.001 ( -2.933 0.000 1.080) 3.125 11.089 ( -2.672 0.000 1.798) 3.221 11.261 ( -6.095 0.000 -1.814) 6.359 11.286 ( 3.403 0.000 8.925) 9.552 11.336 ( -2.688 0.000 -5.137) 5.798 11.431 ( -8.097 0.000 -10.491) 13.252 11.464 ( 0.787 0.000 -2.220) 2.356 11.622 ( -6.121 0.000 -1.544) 6.312 11.690 ( 3.312 0.000 -1.984) 3.861 11.729 ( -0.878 0.000 3.237) 3.354 11.880 ( 3.257 0.000 0.368) 3.278 11.899 ( -1.009 0.000 -1.387) 1.715 11.975 ( -5.793 0.000 -3.303) 6.668 12.025 ( 0.377 0.000 -4.588) 4.603 12.055 ( -8.324 0.000 -1.612) 8.478 12.181 ( 4.777 0.000 1.219) 4.930 12.204 ( 5.054 0.000 -3.065) 5.910 12.315 ( 1.539 0.000 -4.037) 4.320 12.392 ( -4.457 0.000 -2.582) 5.150 12.462 ( 6.297 0.000 -2.479) 6.768 12.564 ( 2.514 0.000 2.345) 3.438 12.618 ( 0.398 0.000 9.219) 9.228 12.691 ( -7.244 0.000 5.562) 9.133 12.705 ( 2.461 0.000 2.481) 3.495 12.789 ( 1.979 0.000 1.938) 2.770 12.857 ( 3.018 0.000 -3.642) 4.730 12.890 ( 0.007 0.000 4.643) 4.643 13.037 ( 5.123 0.000 -1.023) 5.224 13.122 ( -4.792 0.000 9.764) 10.876 13.213 ( 6.231 0.000 -6.158) 8.761 13.285 ( -0.664 0.000 -0.293) 0.726 13.416 ( -1.794 0.000 -2.056) 2.728 13.735 ( 1.880 0.000 -1.459) 2.380 13.756 ( -1.242 0.000 -0.681) 1.417 13.893 ( -0.056 0.000 -0.055) 0.078 14.040 ( -0.072 0.000 -3.928) 3.929 14.075 ( -6.568 0.000 -4.209) 7.801 14.234 ( -4.575 0.000 0.216) 4.580 14.235 ( 0.170 0.000 3.690) 3.694 14.336 ( 6.532 0.000 -1.220) 6.645 14.499 ( -1.865 0.000 0.635) 1.970 14.583 ( 1.915 0.000 -1.641) 2.522 14.612 ( -3.817 0.000 5.866) 6.998 14.656 ( 9.430 0.000 5.601) 10.968 14.788 ( 3.012 0.000 7.232) 7.834 15.101 ( -2.149 0.000 -1.785) 2.794 15.247 ( 11.960 0.000 -12.048) 16.977 15.379 ( -8.469 0.000 -7.879) 11.567 15.633 ( 2.066 0.000 4.766) 5.195 15.767 ( -5.340 0.000 1.450) 5.533 15.948 ( -13.547 0.000 -0.124) 13.548 16.113 ( -10.745 0.000 5.581) 12.108 16.200 ( 6.152 0.000 -3.784) 7.223 16.286 ( 0.292 0.000 -4.481) 4.490 16.302 ( -5.468 0.000 -0.949) 5.549 16.363 ( -1.918 0.000 2.736) 3.342 16.393 ( 3.805 0.000 -1.121) 3.967 16.748 ( -0.385 0.000 0.580) 0.696 16.788 ( 8.954 0.000 -8.305) 12.213 16.802 ( 1.639 0.000 4.520) 4.808 17.004 ( 6.838 0.000 0.450) 6.853 17.111 ( 0.173 0.000 -0.061) 0.183 17.133 ( 0.820 0.000 -5.940) 5.996 17.197 ( -0.706 0.000 0.525) 0.880 17.306 ( -4.664 0.000 -0.982) 4.766 17.649 ( 5.413 0.000 -0.413) 5.428 17.662 ( -32.365 0.000 -2.925) 32.497 17.816 ( -0.852 0.000 1.462) 1.692 18.037 ( -2.547 0.000 6.453) 6.937 18.153 ( -27.031 0.000 6.381) 27.774 19.332 ( 18.357 0.000 -2.581) 18.538 19.495 ( 28.955 0.000 1.212) 28.981 19.541 ( 10.834 0.000 1.103) 10.890 19.734 ( 4.995 0.000 -0.212) 5.000 21.775 ( 0.868 0.000 -1.115) 1.413 21.995 ( -1.370 0.000 0.603) 1.497 22.684 ( -4.566 0.000 4.409) 6.348 23.150 ( 11.023 0.000 -4.629) 11.955 23.870 ( -1.663 0.000 2.914) 3.356 23.937 ( 0.033 0.000 -0.054) 0.063 24.117 ( -0.069 0.000 0.137) 0.153 24.402 ( 0.006 0.000 0.023) 0.024 24.409 ( 4.341 0.000 -3.076) 5.320 24.584 ( 0.010 0.000 -0.091) 0.092 24.862 ( -3.488 0.000 0.709) 3.559 24.936 ( 0.612 0.000 -0.743) 0.963 24.956 ( -5.038 0.000 1.376) 5.222 25.236 ( -13.055 0.000 0.560) 13.067 25.842 ( 0.371 0.000 -0.910) 0.983 25.860 ( -1.208 0.000 -0.505) 1.309 ======================= Grid point 46 (17/65) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( 22.845 0.000 29.843) 37.583 1.500 ( 20.165 0.000 37.323) 42.422 2.518 ( 28.732 0.000 51.186) 58.699 3.064 ( 4.399 0.000 -25.629) 26.004 3.242 ( -6.014 0.000 -13.490) 14.770 3.370 ( -20.752 0.000 -3.728) 21.084 3.407 ( 5.787 0.000 -18.719) 19.593 4.094 ( -3.656 0.000 1.000) 3.790 4.404 ( 7.418 0.000 5.575) 9.280 4.469 ( 7.280 0.000 4.471) 8.544 4.540 ( 3.265 0.000 -0.423) 3.293 4.571 ( 10.294 0.000 -4.720) 11.324 4.675 ( -7.417 0.000 15.891) 17.536 4.757 ( 2.362 0.000 6.959) 7.348 4.908 ( 6.906 0.000 -6.252) 9.316 5.151 ( -0.265 0.000 -1.671) 1.692 5.280 ( -25.449 0.000 -3.481) 25.686 5.486 ( 1.545 0.000 3.303) 3.646 5.509 ( 4.704 0.000 -2.632) 5.390 5.687 ( -5.059 0.000 0.960) 5.149 5.814 ( 1.509 0.000 6.871) 7.034 5.878 ( 0.948 0.000 1.795) 2.030 5.908 ( 3.952 0.000 -4.514) 6.000 6.093 ( 1.259 0.000 -2.285) 2.609 6.143 ( -7.800 0.000 -17.708) 19.350 6.407 ( 4.295 0.000 -0.163) 4.298 6.472 ( 0.543 0.000 -0.380) 0.662 6.509 ( 8.885 0.000 0.201) 8.887 6.661 ( 12.096 0.000 3.708) 12.652 6.665 ( -0.399 0.000 3.772) 3.793 6.772 ( -1.650 0.000 -2.920) 3.354 6.858 ( -9.966 0.000 1.655) 10.102 6.879 ( -1.901 0.000 -0.459) 1.955 6.959 ( -0.881 0.000 2.628) 2.772 7.101 ( -9.421 0.000 1.179) 9.494 7.236 ( -8.166 0.000 -3.787) 9.001 7.245 ( -10.772 0.000 -12.024) 16.144 7.254 ( -1.014 0.000 4.773) 4.879 7.404 ( -2.634 0.000 -6.729) 7.226 7.664 ( -14.074 0.000 3.213) 14.436 7.707 ( -6.966 0.000 -5.151) 8.664 7.913 ( 1.413 0.000 -3.659) 3.923 7.937 ( 4.330 0.000 8.894) 9.892 8.050 ( 3.837 0.000 2.102) 4.375 8.105 ( 0.402 0.000 1.086) 1.157 8.239 ( -0.258 0.000 -1.096) 1.126 8.239 ( -5.663 0.000 -2.989) 6.404 8.480 ( 1.299 0.000 1.097) 1.700 8.623 ( -1.998 0.000 -9.923) 10.122 8.722 ( -6.294 0.000 -17.489) 18.587 8.865 ( 5.512 0.000 -17.920) 18.749 9.025 ( -16.146 0.000 -3.735) 16.572 9.068 ( 2.301 0.000 3.048) 3.819 9.161 ( 1.574 0.000 12.341) 12.441 9.210 ( 5.296 0.000 3.269) 6.223 9.251 ( 15.113 0.000 -1.808) 15.221 9.375 ( 4.618 0.000 11.133) 12.052 9.402 ( 6.235 0.000 -6.280) 8.849 9.471 ( -1.641 0.000 -0.533) 1.726 9.785 ( 4.119 0.000 -2.114) 4.629 9.821 ( 8.396 0.000 -15.309) 17.460 9.904 ( 2.509 0.000 2.253) 3.372 9.992 ( 10.133 0.000 -3.628) 10.763 10.080 ( 9.316 0.000 5.199) 10.669 10.099 ( 0.039 0.000 6.791) 6.791 10.159 ( 4.518 0.000 2.678) 5.252 10.357 ( 3.388 0.000 -6.093) 6.972 10.380 ( 4.192 0.000 -1.692) 4.520 10.537 ( 8.267 0.000 9.225) 12.387 10.607 ( 0.113 0.000 10.192) 10.193 10.707 ( -0.059 0.000 3.477) 3.478 10.754 ( -1.435 0.000 -2.581) 2.953 10.827 ( -7.654 0.000 -9.953) 12.556 10.938 ( 2.703 0.000 0.243) 2.714 10.942 ( -8.099 0.000 1.334) 8.208 11.022 ( 3.372 0.000 5.822) 6.728 11.038 ( 1.730 0.000 5.631) 5.891 11.163 ( -6.455 0.000 -12.326) 13.914 11.231 ( 2.063 0.000 1.561) 2.587 11.362 ( -3.857 0.000 2.055) 4.370 11.365 ( 3.042 0.000 7.157) 7.776 11.439 ( -1.196 0.000 -2.549) 2.815 11.470 ( -4.447 0.000 3.764) 5.826 11.697 ( -5.379 0.000 -2.482) 5.924 11.772 ( -6.168 0.000 -3.445) 7.065 11.791 ( 3.920 0.000 -1.058) 4.060 11.869 ( -1.342 0.000 4.112) 4.326 11.871 ( -5.334 0.000 -2.814) 6.030 11.943 ( 0.419 0.000 2.614) 2.647 12.006 ( 0.157 0.000 -2.959) 2.964 12.199 ( 0.408 0.000 -3.814) 3.836 12.241 ( 0.526 0.000 -1.226) 1.334 12.300 ( -2.718 0.000 1.755) 3.235 12.342 ( 3.787 0.000 -3.045) 4.860 12.558 ( -2.934 0.000 4.854) 5.671 12.573 ( -3.892 0.000 1.582) 4.201 12.587 ( -0.220 0.000 0.877) 0.905 12.720 ( 1.984 0.000 2.570) 3.247 12.758 ( 1.652 0.000 -2.498) 2.995 12.862 ( 2.981 0.000 0.701) 3.062 12.948 ( -5.601 0.000 9.568) 11.086 12.955 ( 1.564 0.000 6.218) 6.412 13.053 ( 5.688 0.000 2.369) 6.162 13.171 ( 3.820 0.000 3.640) 5.277 13.291 ( 1.972 0.000 -1.498) 2.477 13.332 ( 7.939 0.000 -7.698) 11.059 13.364 ( -1.154 0.000 -3.112) 3.319 13.691 ( -1.350 0.000 -2.094) 2.492 13.748 ( -5.889 0.000 -5.716) 8.207 13.813 ( 3.047 0.000 0.949) 3.191 13.962 ( -3.311 0.000 1.461) 3.619 14.006 ( 0.541 0.000 -4.329) 4.363 14.115 ( -7.167 0.000 -2.935) 7.745 14.289 ( 1.248 0.000 3.908) 4.103 14.333 ( -6.318 0.000 4.843) 7.961 14.466 ( -2.523 0.000 -0.923) 2.687 14.604 ( 1.464 0.000 -0.266) 1.488 14.654 ( 6.077 0.000 3.240) 6.887 14.805 ( -6.134 0.000 2.605) 6.664 14.942 ( 3.875 0.000 9.337) 10.110 15.095 ( 8.144 0.000 0.646) 8.170 15.106 ( -9.676 0.000 -8.673) 12.994 15.290 ( -8.826 0.000 10.342) 13.596 15.473 ( -0.148 0.000 -2.771) 2.775 15.686 ( -0.439 0.000 3.907) 3.931 15.807 ( -3.803 0.000 4.916) 6.215 16.052 ( -10.117 0.000 4.251) 10.974 16.101 ( -7.356 0.000 -5.222) 9.021 16.249 ( 6.332 0.000 -4.682) 7.874 16.329 ( 4.661 0.000 -2.722) 5.397 16.403 ( 3.724 0.000 3.271) 4.957 16.458 ( 3.005 0.000 -0.150) 3.009 16.746 ( -0.241 0.000 0.545) 0.596 16.822 ( 1.129 0.000 0.112) 1.135 16.875 ( -6.642 0.000 -0.820) 6.692 16.942 ( 4.992 0.000 -0.761) 5.050 17.073 ( -4.266 0.000 -4.278) 6.042 17.125 ( 1.213 0.000 0.296) 1.249 17.189 ( -0.610 0.000 0.199) 0.642 17.277 ( 3.558 0.000 -5.001) 6.138 17.353 ( -6.042 0.000 1.101) 6.141 17.821 ( 0.140 0.000 1.676) 1.682 17.830 ( 9.223 0.000 -1.753) 9.388 18.027 ( 2.000 0.000 7.983) 8.229 18.121 ( -2.525 0.000 15.024) 15.235 19.361 ( -0.572 0.000 -2.200) 2.273 19.508 ( -0.470 0.000 -0.392) 0.612 19.627 ( -7.969 0.000 -1.789) 8.168 20.251 ( 27.200 0.000 -32.219) 42.166 21.781 ( 0.648 0.000 -1.313) 1.464 21.999 ( 0.699 0.000 0.774) 1.044 22.628 ( -3.074 0.000 3.078) 4.350 23.359 ( 10.923 0.000 -7.745) 13.390 23.864 ( -1.253 0.000 3.333) 3.561 23.939 ( 0.165 0.000 -0.058) 0.175 24.116 ( -0.119 0.000 0.143) 0.187 24.270 ( -14.835 0.000 8.564) 17.130 24.403 ( 0.056 0.000 0.016) 0.059 24.583 ( -0.093 0.000 -0.081) 0.124 24.778 ( -1.006 0.000 1.376) 1.704 24.935 ( -0.561 0.000 2.662) 2.721 24.967 ( 0.521 0.000 3.627) 3.664 25.119 ( -1.306 0.000 0.492) 1.396 25.732 ( -2.748 0.000 -2.793) 3.918 25.906 ( 0.766 0.000 0.538) 0.936 ======================= Grid point 47 (18/65) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.963 ( -13.882 0.000 31.533) 34.453 2.050 ( 24.632 0.000 21.189) 32.492 2.608 ( -29.526 0.000 2.073) 29.599 2.705 ( 5.046 0.000 -0.163) 5.049 3.315 ( 17.739 0.000 -23.053) 29.088 3.571 ( 21.516 0.000 -29.589) 36.585 3.879 ( 31.834 0.000 38.703) 50.113 3.957 ( -6.200 0.000 -9.753) 11.557 4.306 ( -35.019 0.000 -5.908) 35.514 4.410 ( -15.411 0.000 -0.298) 15.414 4.540 ( -3.492 0.000 6.619) 7.483 4.620 ( -6.080 0.000 8.391) 10.363 4.693 ( 11.058 0.000 -10.710) 15.394 4.743 ( 5.179 0.000 2.020) 5.559 4.866 ( -4.039 0.000 3.341) 5.241 5.060 ( 8.039 0.000 -0.558) 8.059 5.136 ( 0.436 0.000 -1.870) 1.920 5.544 ( -5.089 0.000 0.659) 5.132 5.547 ( -4.412 0.000 -3.497) 5.630 5.616 ( 3.666 0.000 8.029) 8.826 5.795 ( -4.395 0.000 0.260) 4.403 5.944 ( 3.677 0.000 -1.963) 4.168 6.000 ( 0.290 0.000 -6.029) 6.036 6.010 ( 9.033 0.000 1.806) 9.211 6.092 ( -1.124 0.000 -1.957) 2.257 6.389 ( -1.492 0.000 -3.697) 3.986 6.434 ( -4.415 0.000 0.294) 4.424 6.613 ( 2.429 0.000 -3.075) 3.918 6.666 ( -0.227 0.000 1.379) 1.397 6.710 ( -5.436 0.000 -0.247) 5.441 6.721 ( -5.134 0.000 -6.781) 8.505 6.786 ( 2.931 0.000 5.269) 6.029 6.887 ( 3.300 0.000 0.856) 3.409 6.968 ( 1.774 0.000 -3.350) 3.791 6.973 ( -3.900 0.000 -8.010) 8.909 7.185 ( 7.053 0.000 6.088) 9.317 7.200 ( 11.373 0.000 2.467) 11.638 7.303 ( 1.413 0.000 3.869) 4.119 7.362 ( -5.503 0.000 6.410) 8.448 7.492 ( -3.214 0.000 -0.858) 3.327 7.530 ( -10.016 0.000 5.226) 11.297 7.821 ( -1.651 0.000 -5.608) 5.846 7.950 ( -11.397 0.000 -0.240) 11.400 8.143 ( 4.161 0.000 9.796) 10.643 8.148 ( -2.587 0.000 4.722) 5.384 8.218 ( 9.069 0.000 -2.847) 9.505 8.256 ( 3.286 0.000 -4.211) 5.341 8.394 ( -0.008 0.000 -13.611) 13.611 8.524 ( -0.540 0.000 1.215) 1.330 8.621 ( -2.939 0.000 -4.585) 5.446 8.673 ( -4.872 0.000 -8.197) 9.535 8.906 ( 7.434 0.000 -17.658) 19.159 9.037 ( -2.427 0.000 0.339) 2.451 9.242 ( -2.132 0.000 -2.568) 3.338 9.276 ( -0.791 0.000 12.569) 12.594 9.434 ( -2.998 0.000 4.247) 5.198 9.439 ( 5.158 0.000 -4.249) 6.683 9.497 ( 1.393 0.000 2.744) 3.078 9.622 ( 14.243 0.000 -2.833) 14.522 9.814 ( 2.725 0.000 -2.381) 3.619 9.815 ( -8.631 0.000 -3.021) 9.145 9.819 ( 2.586 0.000 -12.138) 12.410 10.054 ( -3.335 0.000 3.427) 4.782 10.204 ( -2.598 0.000 5.094) 5.719 10.217 ( 3.944 0.000 1.587) 4.251 10.312 ( 0.441 0.000 -6.524) 6.539 10.424 ( 1.242 0.000 -15.253) 15.304 10.448 ( 0.043 0.000 3.312) 3.313 10.476 ( 3.794 0.000 3.758) 5.340 10.590 ( -5.759 0.000 1.535) 5.960 10.694 ( 2.875 0.000 -4.492) 5.333 10.702 ( -4.120 0.000 5.453) 6.834 10.773 ( 3.298 0.000 -6.563) 7.345 10.932 ( 5.756 0.000 2.481) 6.268 10.975 ( -0.437 0.000 -2.390) 2.430 11.074 ( -0.667 0.000 2.785) 2.863 11.098 ( 0.421 0.000 8.483) 8.493 11.181 ( -0.571 0.000 5.040) 5.072 11.252 ( 2.121 0.000 -8.201) 8.471 11.269 ( 4.235 0.000 3.489) 5.487 11.402 ( -6.447 0.000 4.627) 7.936 11.450 ( 4.450 0.000 0.614) 4.492 11.464 ( -1.973 0.000 4.933) 5.313 11.634 ( 3.588 0.000 1.899) 4.059 11.639 ( -4.313 0.000 -0.795) 4.385 11.759 ( -1.722 0.000 -0.438) 1.777 11.848 ( 1.327 0.000 -0.610) 1.460 11.932 ( -0.810 0.000 7.847) 7.889 11.969 ( -2.594 0.000 0.767) 2.705 11.976 ( 0.782 0.000 3.236) 3.329 12.224 ( -2.096 0.000 1.994) 2.893 12.237 ( 3.648 0.000 2.385) 4.359 12.298 ( 0.023 0.000 3.007) 3.007 12.343 ( -2.748 0.000 -3.046) 4.102 12.488 ( -4.036 0.000 4.784) 6.259 12.584 ( 3.671 0.000 1.582) 3.997 12.588 ( -0.161 0.000 -0.378) 0.411 12.734 ( 0.020 0.000 -6.858) 6.858 12.746 ( 0.626 0.000 2.337) 2.420 12.878 ( -0.289 0.000 -2.840) 2.855 12.895 ( -7.688 0.000 16.166) 17.901 13.023 ( -0.501 0.000 5.442) 5.465 13.076 ( 0.091 0.000 -8.372) 8.372 13.163 ( -8.311 0.000 -10.427) 13.334 13.329 ( 3.161 0.000 -4.038) 5.128 13.404 ( 8.153 0.000 11.202) 13.854 13.484 ( 9.409 0.000 -6.193) 11.264 13.669 ( 0.516 0.000 -1.231) 1.335 13.722 ( -0.612 0.000 3.310) 3.366 13.844 ( -0.591 0.000 -0.466) 0.753 13.895 ( -5.696 0.000 -3.629) 6.753 13.953 ( -0.138 0.000 -1.649) 1.655 14.013 ( 3.216 0.000 -4.002) 5.134 14.246 ( -6.370 0.000 6.096) 8.817 14.314 ( -1.821 0.000 3.822) 4.233 14.448 ( -1.714 0.000 8.336) 8.511 14.574 ( -5.480 0.000 -6.397) 8.424 14.642 ( -0.886 0.000 1.964) 2.155 14.861 ( 5.793 0.000 -1.790) 6.063 14.911 ( 0.933 0.000 -4.554) 4.648 15.035 ( -3.193 0.000 3.803) 4.966 15.184 ( -8.347 0.000 9.279) 12.481 15.296 ( 6.102 0.000 -0.255) 6.107 15.524 ( 4.611 0.000 -5.169) 6.926 15.687 ( -1.705 0.000 4.309) 4.635 15.791 ( -1.152 0.000 5.460) 5.580 15.900 ( -5.766 0.000 4.853) 7.537 15.991 ( 0.244 0.000 -0.484) 0.543 16.237 ( -0.427 0.000 -10.242) 10.251 16.360 ( 2.124 0.000 -6.232) 6.584 16.476 ( -0.604 0.000 -3.154) 3.211 16.542 ( -0.961 0.000 9.019) 9.070 16.747 ( -0.820 0.000 -6.072) 6.127 16.747 ( -0.092 0.000 0.652) 0.658 16.870 ( 1.848 0.000 -0.361) 1.883 16.954 ( 0.687 0.000 -3.393) 3.462 17.014 ( -0.484 0.000 -3.369) 3.404 17.148 ( 0.263 0.000 -0.832) 0.872 17.190 ( 0.620 0.000 2.483) 2.559 17.234 ( -4.593 0.000 5.296) 7.010 17.344 ( 6.512 0.000 -10.125) 12.038 17.838 ( -0.115 0.000 1.979) 1.982 17.872 ( 0.582 0.000 -7.916) 7.938 18.185 ( -4.638 0.000 19.614) 20.155 18.285 ( 8.538 0.000 16.660) 18.721 19.280 ( -4.067 0.000 -6.201) 7.415 19.438 ( -3.668 0.000 -0.219) 3.675 19.531 ( 0.092 0.000 -0.102) 0.137 20.380 ( 13.988 0.000 -34.556) 37.280 21.779 ( 0.409 0.000 -1.903) 1.947 22.020 ( 0.399 0.000 1.037) 1.111 22.629 ( -0.010 0.000 5.407) 5.407 23.453 ( 4.686 0.000 -8.785) 9.957 23.877 ( -0.580 0.000 5.061) 5.094 23.941 ( 0.105 0.000 -0.070) 0.127 24.084 ( -10.743 0.000 11.962) 16.078 24.115 ( -0.088 0.000 0.160) 0.183 24.404 ( 0.027 0.000 -0.001) 0.027 24.581 ( -0.035 0.000 -0.052) 0.062 24.792 ( 0.958 0.000 0.410) 1.042 24.941 ( -0.234 0.000 0.858) 0.889 25.006 ( -1.549 0.000 8.448) 8.589 25.137 ( 2.970 0.000 -0.671) 3.045 25.680 ( 0.202 0.000 -5.341) 5.345 25.886 ( -1.876 0.000 -1.970) 2.721 ======================= Grid point 48 (19/65) ======================= q-point: (-0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( -35.215 0.000 23.324) 42.239 1.810 ( -39.520 0.000 11.207) 41.079 2.858 ( -44.471 0.000 1.902) 44.511 2.873 ( 28.425 0.000 14.982) 32.132 3.337 ( 2.339 0.000 20.329) 20.463 3.525 ( 12.245 0.000 -14.982) 19.349 3.721 ( 9.447 0.000 -23.236) 25.083 3.732 ( 1.869 0.000 -24.565) 24.636 4.103 ( -7.216 0.000 -17.346) 18.787 4.460 ( -10.358 0.000 14.029) 17.438 4.565 ( -5.290 0.000 3.075) 6.118 4.749 ( -4.118 0.000 -1.678) 4.447 4.791 ( -1.764 0.000 2.124) 2.761 4.811 ( 2.012 0.000 -1.753) 2.669 4.928 ( 8.389 0.000 20.119) 21.798 5.123 ( 2.993 0.000 16.729) 16.994 5.139 ( 0.609 0.000 -0.469) 0.769 5.390 ( 6.104 0.000 -14.405) 15.644 5.485 ( -1.185 0.000 2.733) 2.979 5.701 ( -1.684 0.000 -4.244) 4.566 5.760 ( 2.551 0.000 6.663) 7.135 5.969 ( -1.292 0.000 -3.385) 3.624 5.993 ( -6.503 0.000 0.285) 6.510 6.092 ( 11.434 0.000 -1.495) 11.532 6.182 ( 2.822 0.000 2.808) 3.981 6.355 ( 0.967 0.000 -6.344) 6.417 6.384 ( -0.527 0.000 -1.136) 1.252 6.483 ( -2.710 0.000 -7.651) 8.117 6.599 ( -0.982 0.000 -6.676) 6.748 6.707 ( -4.042 0.000 0.006) 4.042 6.722 ( 0.751 0.000 3.576) 3.654 6.850 ( -2.308 0.000 -1.725) 2.881 6.918 ( 9.385 0.000 4.704) 10.498 6.950 ( -4.217 0.000 -2.300) 4.803 7.004 ( 10.244 0.000 -0.188) 10.246 7.242 ( -8.602 0.000 2.262) 8.894 7.330 ( 1.532 0.000 10.525) 10.636 7.357 ( -0.999 0.000 3.196) 3.348 7.447 ( 10.731 0.000 -0.723) 10.755 7.485 ( 4.135 0.000 1.345) 4.348 7.639 ( 16.399 0.000 8.993) 18.703 7.781 ( -4.333 0.000 0.351) 4.347 7.909 ( 8.564 0.000 -1.963) 8.786 7.993 ( -4.580 0.000 -5.924) 7.488 8.200 ( -6.366 0.000 -11.981) 13.567 8.221 ( 3.522 0.000 -1.725) 3.921 8.391 ( 3.171 0.000 -1.174) 3.381 8.409 ( -2.012 0.000 10.541) 10.731 8.529 ( 9.718 0.000 -6.078) 11.462 8.678 ( 12.821 0.000 7.255) 14.731 8.764 ( 8.229 0.000 -3.782) 9.056 8.847 ( 4.006 0.000 -19.997) 20.394 9.004 ( -2.503 0.000 -4.564) 5.206 9.110 ( -6.260 0.000 -6.721) 9.185 9.308 ( -3.909 0.000 8.246) 9.126 9.391 ( -5.452 0.000 4.377) 6.992 9.488 ( -2.029 0.000 -8.123) 8.373 9.502 ( 0.321 0.000 -3.275) 3.291 9.579 ( -12.038 0.000 2.253) 12.247 9.678 ( -2.578 0.000 -1.460) 2.963 9.736 ( -0.879 0.000 -8.208) 8.255 9.876 ( 0.762 0.000 3.454) 3.537 9.921 ( -5.523 0.000 -16.517) 17.416 10.051 ( -6.312 0.000 -3.227) 7.089 10.188 ( -5.640 0.000 10.232) 11.683 10.250 ( 0.933 0.000 -3.960) 4.069 10.365 ( 0.554 0.000 -10.743) 10.757 10.394 ( -3.341 0.000 -4.901) 5.931 10.512 ( -4.925 0.000 7.533) 9.000 10.575 ( -7.291 0.000 -4.072) 8.351 10.699 ( 4.282 0.000 0.865) 4.369 10.776 ( 4.055 0.000 1.044) 4.187 10.814 ( 6.021 0.000 5.212) 7.963 10.938 ( -2.314 0.000 -0.484) 2.364 11.018 ( -2.853 0.000 2.043) 3.509 11.034 ( -2.221 0.000 0.759) 2.347 11.146 ( 2.461 0.000 3.180) 4.021 11.189 ( -0.504 0.000 -1.392) 1.480 11.301 ( 2.168 0.000 -2.895) 3.617 11.352 ( 1.919 0.000 8.681) 8.890 11.403 ( 3.541 0.000 5.106) 6.214 11.516 ( -6.437 0.000 3.078) 7.135 11.563 ( 4.907 0.000 8.261) 9.608 11.618 ( 9.314 0.000 -1.247) 9.397 11.745 ( 1.195 0.000 -1.849) 2.202 11.755 ( 3.063 0.000 4.031) 5.063 11.883 ( 0.744 0.000 2.781) 2.879 11.945 ( 0.447 0.000 0.134) 0.466 11.991 ( 2.639 0.000 8.185) 8.600 12.022 ( -1.641 0.000 4.879) 5.147 12.197 ( -4.730 0.000 -10.370) 11.397 12.226 ( 3.625 0.000 3.049) 4.736 12.284 ( -3.947 0.000 4.468) 5.961 12.314 ( -1.914 0.000 2.560) 3.197 12.538 ( 5.246 0.000 2.667) 5.885 12.559 ( -1.395 0.000 -3.367) 3.644 12.681 ( 0.352 0.000 -5.596) 5.607 12.693 ( 3.970 0.000 -0.472) 3.998 12.759 ( -6.322 0.000 6.590) 9.132 12.829 ( -1.482 0.000 -4.226) 4.479 12.901 ( 0.065 0.000 5.018) 5.019 12.971 ( -1.617 0.000 -3.407) 3.771 12.998 ( -4.806 0.000 2.818) 5.571 13.011 ( -1.752 0.000 0.084) 1.754 13.337 ( 0.588 0.000 -3.606) 3.654 13.472 ( -10.679 0.000 -8.770) 13.819 13.598 ( 1.010 0.000 8.007) 8.071 13.651 ( 6.475 0.000 -2.057) 6.794 13.700 ( 2.611 0.000 0.875) 2.753 13.792 ( -2.448 0.000 -2.946) 3.831 13.888 ( 1.202 0.000 4.387) 4.549 14.048 ( 2.541 0.000 -3.802) 4.573 14.074 ( 9.736 0.000 2.241) 9.990 14.196 ( -3.390 0.000 7.868) 8.567 14.293 ( -3.197 0.000 4.370) 5.414 14.335 ( -6.586 0.000 -1.062) 6.671 14.581 ( -3.007 0.000 0.628) 3.072 14.631 ( 7.416 0.000 0.899) 7.470 14.850 ( -3.602 0.000 -5.394) 6.486 14.871 ( -7.530 0.000 -3.015) 8.111 15.062 ( -10.657 0.000 8.692) 13.752 15.108 ( 12.110 0.000 2.932) 12.460 15.301 ( -3.043 0.000 -0.301) 3.058 15.577 ( 1.791 0.000 0.062) 1.792 15.693 ( -1.829 0.000 4.156) 4.541 15.816 ( -0.434 0.000 2.500) 2.537 15.933 ( 3.686 0.000 7.371) 8.242 16.090 ( 6.434 0.000 4.639) 7.932 16.150 ( 0.736 0.000 -9.231) 9.260 16.299 ( -2.526 0.000 -9.588) 9.915 16.427 ( 0.266 0.000 -4.629) 4.637 16.507 ( -2.557 0.000 0.786) 2.675 16.729 ( -0.455 0.000 -2.093) 2.142 16.751 ( -0.134 0.000 0.661) 0.675 16.832 ( -3.508 0.000 -5.420) 6.456 16.855 ( -2.944 0.000 -2.455) 3.833 17.101 ( 5.846 0.000 -0.990) 5.929 17.133 ( -0.888 0.000 -0.257) 0.925 17.225 ( 0.056 0.000 2.147) 2.148 17.238 ( 1.156 0.000 4.128) 4.287 17.422 ( 7.788 0.000 -6.474) 10.127 17.796 ( -1.097 0.000 -7.837) 7.913 17.841 ( -1.111 0.000 2.026) 2.311 18.229 ( -6.920 0.000 22.149) 23.205 18.409 ( -11.140 0.000 17.384) 20.647 19.294 ( 12.116 0.000 -5.294) 13.223 19.409 ( -0.512 0.000 -0.211) 0.553 19.538 ( 0.533 0.000 -0.077) 0.538 20.312 ( 7.739 0.000 -43.242) 43.929 21.770 ( 0.308 0.000 -1.998) 2.021 22.029 ( -0.191 0.000 1.054) 1.071 22.690 ( -0.027 0.000 8.183) 8.183 23.404 ( -1.237 0.000 -13.751) 13.807 23.903 ( -1.621 0.000 4.513) 4.795 23.941 ( -0.068 0.000 -0.074) 0.101 24.043 ( -2.334 0.000 14.787) 14.970 24.115 ( -0.012 0.000 0.165) 0.165 24.404 ( -0.046 0.000 -0.005) 0.046 24.581 ( 0.109 0.000 -0.043) 0.117 24.818 ( 0.981 0.000 1.292) 1.622 24.937 ( -0.096 0.000 -0.781) 0.787 25.031 ( -1.955 0.000 6.923) 7.194 25.234 ( 3.862 0.000 8.997) 9.791 25.640 ( 0.753 0.000 -8.308) 8.342 25.828 ( -0.484 0.000 -4.095) 4.124 ======================= Grid point 49 (20/65) ======================= q-point: (-0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( -30.505 0.000 37.109) 48.038 1.121 ( -38.723 0.000 24.323) 45.728 1.724 ( -59.379 0.000 37.118) 70.026 3.352 ( -2.401 0.000 -26.017) 26.128 3.440 ( -3.435 0.000 -22.974) 23.229 3.530 ( 24.143 0.000 11.075) 26.562 3.872 ( 15.582 0.000 -12.482) 19.965 3.951 ( 16.758 0.000 2.063) 16.884 4.012 ( 10.996 0.000 -7.033) 13.053 4.334 ( -9.583 0.000 0.923) 9.627 4.463 ( -8.776 0.000 13.841) 16.389 4.534 ( -13.606 0.000 -3.894) 14.152 4.670 ( -18.139 0.000 18.766) 26.100 4.735 ( -4.814 0.000 3.522) 5.964 4.864 ( -3.826 0.000 9.529) 10.268 5.149 ( 0.608 0.000 -0.256) 0.659 5.445 ( 6.202 0.000 -10.430) 12.134 5.510 ( 0.083 0.000 3.250) 3.251 5.517 ( 8.480 0.000 1.704) 8.649 5.667 ( 2.483 0.000 -8.145) 8.515 5.767 ( -4.482 0.000 2.483) 5.124 5.884 ( -2.280 0.000 -2.899) 3.688 5.904 ( -2.588 0.000 2.454) 3.566 6.220 ( -0.503 0.000 3.316) 3.354 6.267 ( 2.160 0.000 -5.207) 5.637 6.275 ( -1.580 0.000 -5.916) 6.124 6.413 ( 9.683 0.000 -7.905) 12.500 6.459 ( -3.089 0.000 -2.877) 4.221 6.597 ( 3.164 0.000 2.025) 3.757 6.649 ( 0.894 0.000 5.542) 5.614 6.709 ( -9.289 0.000 2.189) 9.544 6.795 ( 3.588 0.000 3.833) 5.250 6.868 ( -1.004 0.000 -2.353) 2.558 7.131 ( 7.423 0.000 -4.135) 8.497 7.194 ( 2.963 0.000 1.959) 3.552 7.253 ( 12.038 0.000 -3.375) 12.502 7.380 ( 0.274 0.000 -0.215) 0.348 7.448 ( -2.374 0.000 -8.477) 8.803 7.487 ( 4.619 0.000 10.897) 11.835 7.737 ( 2.688 0.000 10.180) 10.528 7.824 ( 10.507 0.000 2.487) 10.798 7.843 ( -2.407 0.000 0.961) 2.591 7.936 ( 4.778 0.000 -3.645) 6.010 7.989 ( -1.291 0.000 -10.302) 10.382 8.154 ( 9.645 0.000 2.322) 9.920 8.272 ( -0.296 0.000 -2.220) 2.240 8.437 ( 4.191 0.000 7.560) 8.643 8.467 ( 3.156 0.000 -2.071) 3.775 8.617 ( -10.220 0.000 -22.527) 24.737 8.736 ( 13.626 0.000 -1.634) 13.724 8.750 ( -0.581 0.000 -19.725) 19.734 8.890 ( -9.211 0.000 -6.072) 11.032 8.913 ( 6.242 0.000 -2.055) 6.571 9.070 ( 4.373 0.000 -7.344) 8.547 9.209 ( -7.073 0.000 2.078) 7.372 9.243 ( -5.929 0.000 3.964) 7.132 9.297 ( -4.005 0.000 1.836) 4.405 9.445 ( -5.096 0.000 1.809) 5.407 9.502 ( 3.808 0.000 -5.403) 6.610 9.598 ( -6.589 0.000 -10.531) 12.422 9.720 ( 2.048 0.000 0.952) 2.258 9.776 ( -3.831 0.000 0.447) 3.857 9.821 ( -8.158 0.000 -1.366) 8.272 9.941 ( -0.321 0.000 2.703) 2.722 10.150 ( -7.601 0.000 8.124) 11.125 10.240 ( 2.629 0.000 -5.816) 6.383 10.273 ( -2.359 0.000 4.205) 4.822 10.282 ( -5.256 0.000 2.106) 5.662 10.406 ( -7.315 0.000 3.536) 8.125 10.475 ( -4.054 0.000 5.487) 6.822 10.750 ( -0.709 0.000 -5.404) 5.451 10.840 ( 0.982 0.000 -1.407) 1.716 10.877 ( -1.674 0.000 0.660) 1.800 10.942 ( -2.916 0.000 1.078) 3.109 10.955 ( 2.885 0.000 3.617) 4.627 11.034 ( -0.375 0.000 3.956) 3.974 11.129 ( -6.452 0.000 7.430) 9.841 11.173 ( 1.670 0.000 0.498) 1.743 11.328 ( 1.436 0.000 -3.147) 3.459 11.435 ( -2.232 0.000 -0.399) 2.268 11.498 ( 2.291 0.000 2.874) 3.675 11.503 ( 2.910 0.000 -1.206) 3.150 11.670 ( -0.159 0.000 0.664) 0.682 11.734 ( 1.224 0.000 -0.913) 1.527 11.772 ( 1.457 0.000 -1.781) 2.301 11.838 ( -4.087 0.000 -2.066) 4.579 11.863 ( 3.603 0.000 -0.723) 3.675 11.972 ( 4.568 0.000 -4.133) 6.160 12.056 ( 3.447 0.000 4.991) 6.066 12.058 ( 2.852 0.000 -2.057) 3.516 12.088 ( -1.494 0.000 5.139) 5.352 12.230 ( -6.506 0.000 -1.389) 6.653 12.243 ( 1.018 0.000 -2.144) 2.373 12.406 ( 7.070 0.000 5.616) 9.029 12.496 ( -1.253 0.000 -3.751) 3.955 12.567 ( -4.791 0.000 -0.291) 4.800 12.630 ( -8.081 0.000 5.181) 9.599 12.668 ( 0.241 0.000 -0.182) 0.302 12.757 ( 1.353 0.000 -4.153) 4.368 12.774 ( -0.642 0.000 -1.923) 2.028 12.883 ( 1.502 0.000 3.740) 4.030 12.911 ( -4.545 0.000 2.481) 5.178 12.957 ( -1.945 0.000 -3.893) 4.352 13.094 ( 1.766 0.000 6.763) 6.989 13.211 ( -1.557 0.000 -10.053) 10.173 13.311 ( -1.087 0.000 -0.965) 1.453 13.535 ( -8.149 0.000 -2.560) 8.541 13.724 ( -0.185 0.000 -2.829) 2.835 13.770 ( 1.071 0.000 1.256) 1.650 13.801 ( 6.992 0.000 -0.298) 6.998 14.054 ( 1.175 0.000 -3.430) 3.626 14.065 ( 11.283 0.000 12.968) 17.189 14.159 ( -4.036 0.000 4.779) 6.255 14.249 ( -3.856 0.000 3.809) 5.420 14.279 ( 3.683 0.000 7.585) 8.432 14.373 ( 7.942 0.000 -0.140) 7.943 14.562 ( 0.961 0.000 -1.694) 1.948 14.667 ( -7.382 0.000 1.489) 7.531 14.692 ( -6.848 0.000 -0.260) 6.853 14.745 ( -2.439 0.000 1.000) 2.636 15.048 ( 8.720 0.000 2.108) 8.971 15.202 ( -6.572 0.000 0.642) 6.604 15.382 ( 10.250 0.000 2.296) 10.504 15.647 ( -5.249 0.000 1.899) 5.582 15.750 ( 15.011 0.000 18.650) 23.941 15.801 ( -1.426 0.000 1.905) 2.380 16.064 ( 1.710 0.000 3.926) 4.283 16.154 ( 5.295 0.000 -2.133) 5.708 16.170 ( -0.475 0.000 -7.004) 7.020 16.268 ( 5.931 0.000 3.043) 6.666 16.401 ( -0.254 0.000 -4.395) 4.403 16.472 ( -3.756 0.000 0.846) 3.850 16.690 ( 3.351 0.000 -5.557) 6.490 16.751 ( -0.308 0.000 0.606) 0.680 16.787 ( 0.911 0.000 -0.759) 1.186 16.802 ( -1.258 0.000 1.954) 2.324 17.115 ( -0.612 0.000 -0.004) 0.612 17.155 ( 0.675 0.000 0.036) 0.676 17.218 ( -1.565 0.000 0.894) 1.803 17.313 ( 3.168 0.000 -0.433) 3.197 17.560 ( 7.286 0.000 -2.142) 7.594 17.760 ( 4.936 0.000 -4.090) 6.410 17.828 ( -1.468 0.000 1.784) 2.310 18.176 ( -14.849 0.000 12.671) 19.520 18.356 ( 0.311 0.000 25.924) 25.926 19.388 ( -1.437 0.000 -1.730) 2.249 19.530 ( 4.771 0.000 -0.094) 4.772 19.555 ( 4.021 0.000 -6.602) 7.730 19.834 ( -22.214 0.000 -58.225) 62.319 21.766 ( 0.732 0.000 -1.465) 1.638 22.027 ( -0.902 0.000 0.373) 0.976 22.723 ( -3.116 0.000 7.304) 7.941 23.197 ( -6.282 0.000 -14.519) 15.820 23.886 ( -2.285 0.000 3.299) 4.013 23.938 ( -0.112 0.000 -0.065) 0.129 24.116 ( -0.000 0.000 0.152) 0.152 24.209 ( 7.257 0.000 11.962) 13.991 24.403 ( -0.059 0.000 0.008) 0.060 24.583 ( 0.136 0.000 -0.066) 0.151 24.851 ( 0.960 0.000 1.909) 2.137 24.931 ( 0.371 0.000 -1.210) 1.265 25.027 ( -1.789 0.000 1.257) 2.186 25.414 ( 0.658 0.000 7.803) 7.831 25.635 ( 8.878 0.000 0.246) 8.881 25.828 ( 2.518 0.000 -0.943) 2.689 ======================= Grid point 50 (21/65) ======================= q-point: ( 0.00 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( 4.186 32.823 27.455) 42.996 1.423 ( -2.484 32.925 34.091) 47.460 2.071 ( -4.908 44.294 51.945) 68.442 3.292 ( 2.431 9.443 -29.158) 30.745 3.384 ( 8.711 15.800 -26.952) 32.433 3.883 ( -23.725 3.387 -3.753) 24.257 4.056 ( -15.428 13.289 -1.633) 20.428 4.119 ( 13.571 0.598 -0.095) 13.585 4.191 ( 9.571 14.225 4.091) 17.627 4.282 ( 10.213 2.846 -6.934) 12.668 4.514 ( 6.173 1.361 11.172) 12.836 4.573 ( 0.855 6.882 1.776) 7.159 4.613 ( -4.260 6.013 11.264) 13.460 4.831 ( -2.780 11.090 7.054) 13.434 4.885 ( -3.325 2.677 7.574) 8.694 5.216 ( 0.459 3.563 -2.291) 4.261 5.352 ( 2.836 -10.642 -8.033) 13.632 5.560 ( 1.225 -2.427 0.866) 2.854 5.565 ( 1.178 0.839 0.344) 1.487 5.614 ( 1.009 6.048 2.215) 6.519 5.797 ( -3.897 4.462 -0.103) 5.925 5.903 ( 2.479 6.191 2.337) 7.066 6.038 ( 2.221 7.815 -0.004) 8.124 6.199 ( 2.799 -2.706 0.008) 3.893 6.231 ( -4.156 5.123 -2.171) 6.945 6.327 ( 2.115 -1.087 -3.422) 4.167 6.364 ( 2.783 -1.261 -2.645) 4.041 6.449 ( 0.223 -7.270 -0.546) 7.294 6.575 ( 2.308 4.094 -1.163) 4.841 6.694 ( -3.939 5.411 -0.921) 6.756 6.759 ( 5.349 4.432 10.238) 12.372 6.904 ( 1.890 6.063 -4.262) 7.649 6.957 ( -0.762 -4.990 -7.114) 8.723 7.050 ( 2.506 -5.147 -1.808) 6.004 7.157 ( -7.012 -3.036 -3.284) 8.317 7.235 ( -4.274 -2.646 -5.655) 7.566 7.365 ( -5.817 7.161 5.098) 10.541 7.528 ( -0.873 1.152 -0.490) 1.526 7.684 ( -3.655 -9.592 -1.433) 10.364 7.701 ( -5.569 5.889 1.658) 8.273 7.765 ( 3.505 -2.080 1.488) 4.339 7.864 ( -2.969 4.978 -5.952) 8.308 7.963 ( -5.084 -2.072 -1.879) 5.803 8.034 ( -0.872 -2.558 -7.780) 8.237 8.096 ( -1.223 0.098 -5.398) 5.535 8.219 ( 4.636 -2.637 0.327) 5.343 8.327 ( -2.583 -1.298 -3.714) 4.706 8.502 ( 4.615 7.676 -1.367) 9.060 8.641 ( 8.599 -7.058 -5.188) 12.275 8.724 ( 6.748 0.699 -6.119) 9.136 8.788 ( 2.432 -4.252 -0.620) 4.937 8.949 ( 1.178 1.257 3.953) 4.312 9.049 ( 3.350 -0.778 0.722) 3.515 9.093 ( 5.988 -1.027 4.815) 7.752 9.116 ( -2.205 0.837 3.168) 3.950 9.294 ( 0.817 4.899 -2.609) 5.610 9.325 ( -0.441 4.408 0.758) 4.494 9.401 ( 5.679 0.291 3.801) 6.840 9.450 ( -1.201 6.775 -3.152) 7.568 9.668 ( 1.574 2.759 1.645) 3.577 9.723 ( 2.691 6.192 -6.136) 9.123 9.845 ( 4.564 4.951 -5.557) 8.730 9.859 ( 3.602 -1.337 4.277) 5.749 9.935 ( -3.213 3.505 3.546) 5.931 10.051 ( 1.865 -1.354 13.612) 13.805 10.180 ( -2.808 -3.332 6.485) 7.813 10.332 ( -1.648 7.788 1.858) 8.174 10.383 ( -0.756 4.099 6.174) 7.450 10.484 ( -0.416 6.841 -0.504) 6.872 10.599 ( 3.150 7.565 3.435) 8.885 10.683 ( 0.197 2.368 0.147) 2.381 10.803 ( -0.312 -5.129 -2.734) 5.820 10.854 ( 1.783 0.825 -1.285) 2.347 10.922 ( -2.509 -1.960 0.809) 3.284 10.993 ( -1.280 2.290 1.911) 3.246 11.016 ( 0.826 -1.002 4.162) 4.359 11.121 ( -6.107 -0.015 -0.764) 6.155 11.142 ( -2.407 -3.022 2.768) 4.753 11.286 ( 2.600 -1.984 1.695) 3.684 11.368 ( -2.412 0.471 -1.989) 3.161 11.453 ( -0.873 -1.125 -2.383) 2.776 11.471 ( -0.659 -0.238 -5.154) 5.201 11.587 ( -0.227 0.259 0.727) 0.804 11.663 ( -2.286 -2.092 -2.881) 4.231 11.728 ( -5.333 -4.570 -1.782) 7.246 11.811 ( 2.904 -0.309 -2.168) 3.637 11.854 ( -2.389 1.374 0.683) 2.839 11.935 ( -0.982 -3.579 -2.923) 4.724 12.027 ( -3.435 -3.499 1.224) 5.054 12.094 ( 0.935 1.158 5.088) 5.302 12.162 ( 0.962 -1.546 -2.836) 3.370 12.208 ( 0.763 -3.750 -2.332) 4.481 12.288 ( 2.031 0.425 1.653) 2.653 12.349 ( -2.081 -3.077 -4.610) 5.921 12.423 ( -4.109 1.283 -3.828) 5.760 12.493 ( -3.495 -8.424 4.149) 10.020 12.621 ( 0.326 0.521 7.545) 7.570 12.643 ( 1.214 -1.248 5.623) 5.887 12.688 ( 4.899 0.152 -2.641) 5.567 12.794 ( 4.145 -3.523 4.777) 7.240 12.871 ( 1.532 -1.887 0.139) 2.435 12.876 ( 3.096 -2.790 -0.026) 4.168 12.968 ( 0.272 -0.602 0.679) 0.947 13.100 ( 0.942 -5.091 5.241) 7.367 13.168 ( 0.996 1.085 1.049) 1.808 13.370 ( 1.713 1.615 -6.258) 6.686 13.409 ( -1.159 -0.017 -2.335) 2.607 13.721 ( -0.046 -3.900 0.125) 3.903 13.735 ( 0.102 0.192 0.215) 0.305 13.771 ( -2.326 -8.692 -1.341) 9.097 13.939 ( 0.527 -3.705 0.814) 3.830 14.050 ( -4.021 -4.621 2.706) 6.697 14.197 ( -0.365 -2.579 3.550) 4.403 14.219 ( -1.394 -5.259 -3.645) 6.548 14.326 ( 3.659 -3.550 -5.065) 7.186 14.462 ( 2.242 -0.354 0.358) 2.298 14.580 ( -0.338 -1.353 2.281) 2.674 14.604 ( -3.206 0.934 4.086) 5.276 14.703 ( 5.640 3.871 2.236) 7.197 14.845 ( 3.119 4.833 7.629) 9.554 15.051 ( -1.683 -3.926 -2.722) 5.065 15.276 ( 9.213 -0.716 -12.201) 15.305 15.388 ( -6.577 0.220 -6.766) 9.439 15.628 ( 1.476 -0.203 3.477) 3.783 15.788 ( -1.858 1.079 -1.928) 2.886 15.943 ( -4.683 -1.692 1.344) 5.158 16.070 ( 0.079 -1.867 0.615) 1.967 16.174 ( -6.152 -4.752 -1.951) 8.015 16.226 ( -1.783 -4.433 0.631) 4.820 16.324 ( -5.894 -1.168 2.043) 6.347 16.353 ( 4.965 3.932 -3.147) 7.072 16.408 ( -1.838 3.247 1.724) 4.110 16.708 ( -0.890 -1.114 1.830) 2.320 16.770 ( 7.201 -3.216 -3.508) 8.632 16.915 ( 0.849 3.985 3.278) 5.229 16.980 ( 1.755 0.317 4.459) 4.802 17.071 ( -2.528 0.023 -3.732) 4.508 17.131 ( -1.948 0.305 -3.345) 3.883 17.229 ( 2.006 6.872 -3.528) 7.981 17.323 ( 3.405 1.251 -1.096) 3.790 17.385 ( -6.628 -10.701 3.267) 13.005 17.778 ( -1.435 0.182 -0.296) 1.476 17.910 ( 1.617 1.253 -0.298) 2.067 18.151 ( -6.423 13.911 4.002) 15.836 18.394 ( -13.282 11.432 -0.991) 17.552 19.212 ( 17.798 -7.714 2.030) 19.504 19.424 ( 2.301 -2.982 -0.921) 3.878 19.535 ( 1.189 -0.177 -0.160) 1.213 19.595 ( 2.618 -10.719 1.088) 11.088 21.782 ( 0.775 0.668 -1.068) 1.479 22.015 ( -0.827 2.022 0.621) 2.271 22.645 ( -4.083 -3.637 4.209) 6.900 23.079 ( 8.091 -6.082 -2.972) 10.549 23.830 ( -1.542 -3.731 2.482) 4.740 23.895 ( -0.915 -3.622 3.129) 4.873 24.089 ( -1.074 4.508 4.494) 6.455 24.336 ( 0.724 -2.080 -1.264) 2.539 24.460 ( -0.140 5.314 0.084) 5.316 24.725 ( 4.194 4.292 -5.945) 8.447 24.918 ( 0.005 0.966 -0.087) 0.970 24.930 ( -0.096 2.240 -0.169) 2.248 24.993 ( -0.473 0.928 0.684) 1.246 25.295 ( -8.048 3.666 -3.293) 9.437 25.788 ( 2.161 -4.945 0.928) 5.476 25.877 ( -3.222 2.874 -1.598) 4.604 ======================= Grid point 51 (22/65) ======================= q-point: ( 0.20 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( 14.459 25.884 27.889) 40.704 1.817 ( 14.954 28.797 28.508) 43.193 2.800 ( 27.879 27.852 41.565) 57.277 3.181 ( 0.920 8.819 -20.441) 22.281 3.336 ( -14.049 3.072 -9.774) 17.388 3.392 ( -0.273 14.791 -17.953) 23.263 3.628 ( -7.052 13.690 -8.721) 17.698 4.245 ( -4.400 13.250 -0.210) 13.963 4.384 ( 6.199 -0.623 6.642) 9.106 4.517 ( 9.973 0.013 -4.860) 11.094 4.576 ( 4.990 7.790 3.859) 10.024 4.671 ( 2.073 5.527 3.443) 6.834 4.725 ( 2.988 1.191 7.209) 7.894 4.828 ( -3.397 11.090 5.470) 12.824 4.913 ( 5.860 1.158 -4.934) 7.748 5.176 ( -3.681 2.567 -2.457) 5.116 5.384 ( -12.496 6.460 -1.215) 14.120 5.428 ( 1.723 -5.121 -2.731) 6.054 5.605 ( 0.145 2.287 3.565) 4.237 5.694 ( 1.453 1.160 5.010) 5.344 5.742 ( -1.849 6.808 1.252) 7.165 5.935 ( -3.524 3.753 1.768) 5.444 6.076 ( -7.478 -4.360 -13.819) 16.306 6.100 ( 2.815 10.852 1.176) 11.273 6.161 ( 0.266 2.273 -2.372) 3.296 6.292 ( 3.491 -1.544 -1.928) 4.276 6.451 ( 4.689 -2.089 2.301) 5.626 6.573 ( 5.116 -1.134 -1.773) 5.532 6.635 ( 4.794 3.277 3.556) 6.810 6.706 ( 4.517 2.276 1.658) 5.323 6.815 ( -3.658 -0.644 -3.491) 5.097 6.838 ( -9.221 0.512 0.512) 9.249 6.923 ( -3.791 3.078 0.555) 4.915 6.993 ( 4.100 3.850 -6.237) 8.399 7.092 ( -1.178 -2.301 -1.091) 2.806 7.100 ( -1.341 -7.702 -5.670) 9.658 7.272 ( -7.932 3.385 4.142) 9.568 7.385 ( -7.283 4.007 -2.970) 8.827 7.417 ( -8.918 5.451 -0.384) 10.459 7.508 ( -9.241 -6.334 0.138) 11.204 7.731 ( -8.019 -0.855 -4.509) 9.239 7.865 ( -1.431 -6.559 7.500) 10.066 7.913 ( 7.339 -0.881 -0.423) 7.403 7.986 ( -4.119 -0.944 -0.892) 4.319 8.129 ( 7.263 0.363 -6.067) 9.471 8.204 ( -3.511 -2.810 -4.579) 6.418 8.317 ( 0.804 4.342 1.796) 4.767 8.564 ( 2.277 6.482 -1.210) 6.976 8.592 ( -8.907 -4.634 -7.442) 12.498 8.696 ( -3.088 0.588 -7.588) 8.213 8.908 ( 3.501 -0.258 -13.486) 13.935 8.940 ( 3.065 -3.352 0.846) 4.620 9.075 ( -5.962 -0.172 3.347) 6.840 9.151 ( 4.478 0.221 4.267) 6.189 9.280 ( 3.894 6.106 9.781) 12.170 9.300 ( 6.491 5.031 -1.097) 8.286 9.418 ( 5.174 2.927 -6.473) 8.789 9.441 ( 6.209 4.141 2.936) 8.020 9.547 ( -0.441 6.226 3.713) 7.263 9.772 ( 2.424 -0.788 -1.467) 2.941 9.813 ( 10.748 -4.686 -4.272) 12.479 9.903 ( 1.807 -3.669 -2.084) 4.590 9.935 ( 5.367 1.660 -4.387) 7.128 10.002 ( 3.916 -1.609 8.369) 9.379 10.159 ( 0.002 3.211 1.481) 3.536 10.223 ( 5.708 2.068 7.891) 9.956 10.295 ( -4.127 1.252 5.626) 7.089 10.424 ( 2.190 2.954 0.588) 3.724 10.562 ( 5.937 0.269 0.716) 5.986 10.624 ( 0.595 1.914 -2.158) 2.945 10.722 ( -2.348 -3.446 -3.129) 5.213 10.775 ( -2.979 0.006 -3.389) 4.512 10.840 ( -0.053 3.583 -0.074) 3.584 10.922 ( 2.069 0.538 2.089) 2.988 10.969 ( -5.623 2.090 4.511) 7.505 11.001 ( 0.291 0.668 0.746) 1.043 11.052 ( 1.879 -0.687 3.913) 4.395 11.154 ( -2.839 -0.585 -2.778) 4.015 11.319 ( 1.081 4.463 1.128) 4.729 11.344 ( 2.906 0.174 0.043) 2.911 11.395 ( -1.190 1.287 1.138) 2.090 11.414 ( -0.727 -0.005 -2.472) 2.577 11.503 ( -5.135 -0.453 -2.600) 5.774 11.607 ( -3.559 -5.948 -3.534) 7.781 11.747 ( 1.798 -2.091 6.378) 6.949 11.772 ( -4.368 -0.561 1.925) 4.806 11.838 ( -6.488 -1.572 0.147) 6.677 11.867 ( 1.642 3.119 -1.152) 3.708 11.968 ( -1.598 -2.637 -2.006) 3.679 12.070 ( -2.367 4.116 -0.596) 4.785 12.137 ( -0.282 -5.080 -4.270) 6.642 12.191 ( 1.960 -4.565 -1.800) 5.284 12.291 ( -1.210 -7.294 5.078) 8.969 12.317 ( -1.615 0.470 -0.828) 1.875 12.417 ( -0.777 -4.857 1.574) 5.165 12.484 ( 1.882 -2.528 1.806) 3.632 12.638 ( -0.665 -0.399 0.780) 1.099 12.705 ( 0.497 -3.751 3.000) 4.829 12.775 ( 2.615 3.189 -1.291) 4.321 12.867 ( 1.606 -1.232 -2.076) 2.899 12.902 ( 1.036 -2.049 4.227) 4.810 12.995 ( 2.332 -5.974 0.323) 6.421 13.043 ( 6.375 2.673 7.072) 9.889 13.149 ( 0.737 -1.195 5.702) 5.873 13.260 ( 5.697 -4.178 -4.081) 8.159 13.323 ( 0.910 -1.813 -4.229) 4.690 13.382 ( 0.393 2.421 -3.950) 4.650 13.650 ( -3.141 -3.444 -2.400) 5.243 13.677 ( -2.697 -4.973 -0.743) 5.706 13.810 ( 1.698 -1.883 -1.329) 2.862 13.898 ( -3.249 -2.852 2.819) 5.161 13.966 ( -5.190 -3.993 -0.131) 6.550 14.124 ( -1.840 -1.713 -4.767) 5.389 14.239 ( -0.831 -4.594 -0.161) 4.672 14.310 ( -2.903 -2.269 4.433) 5.764 14.443 ( -1.525 -0.055 0.433) 1.587 14.606 ( 1.752 -1.054 1.870) 2.771 14.673 ( 3.723 1.524 2.328) 4.648 14.882 ( 5.952 3.875 0.277) 7.108 14.961 ( -1.456 1.004 5.450) 5.730 15.011 ( 2.514 -3.388 -1.576) 4.504 15.204 ( -3.460 5.380 -7.221) 9.647 15.356 ( 2.683 1.072 -6.126) 6.773 15.460 ( -14.205 3.463 7.548) 16.454 15.697 ( -1.380 1.015 2.899) 3.367 15.844 ( -4.623 3.269 6.996) 9.000 16.040 ( -8.027 0.158 1.286) 8.131 16.047 ( 0.115 -8.421 -8.539) 11.994 16.212 ( 2.362 -3.673 -1.144) 4.514 16.313 ( -5.404 -1.303 0.389) 5.572 16.346 ( 4.496 -3.150 5.046) 7.457 16.461 ( 5.066 4.181 -1.973) 6.858 16.692 ( -1.690 -0.956 2.181) 2.920 16.846 ( -4.209 -2.845 1.750) 5.373 16.934 ( 4.582 -6.871 -1.348) 8.368 16.980 ( 0.047 6.724 -1.225) 6.835 17.006 ( -0.446 2.094 1.057) 2.388 17.105 ( -1.206 0.894 -2.373) 2.808 17.229 ( -0.183 3.824 -0.839) 3.920 17.296 ( -3.051 0.123 2.100) 3.706 17.368 ( 2.206 0.960 -8.018) 8.371 17.734 ( -1.182 -0.439 3.547) 3.764 17.932 ( 1.556 0.737 -3.432) 3.840 18.174 ( 3.682 11.599 6.370) 13.736 18.314 ( -0.512 17.834 10.253) 20.577 19.338 ( -1.360 -3.247 -2.895) 4.558 19.476 ( 0.318 -3.883 -0.493) 3.927 19.565 ( -4.175 -4.446 -0.169) 6.101 19.834 ( 22.330 -30.428 -16.205) 41.074 21.784 ( 0.327 0.377 -1.124) 1.230 22.021 ( 0.634 2.154 0.613) 2.327 22.593 ( -3.097 -3.196 3.039) 5.389 23.264 ( 10.077 -8.294 -4.954) 13.960 23.820 ( -1.408 -3.796 2.801) 4.924 23.897 ( -1.163 -3.115 2.712) 4.290 24.099 ( -1.315 4.594 4.234) 6.385 24.316 ( -1.610 0.128 -1.017) 1.909 24.459 ( 0.017 5.217 0.070) 5.218 24.748 ( 2.342 5.268 -7.365) 9.353 24.866 ( -3.769 8.230 1.043) 9.112 24.934 ( 0.142 -0.612 0.432) 0.762 25.020 ( 1.248 3.903 3.728) 5.540 25.124 ( -6.238 3.579 2.172) 7.513 25.693 ( -4.589 -3.130 -1.851) 5.855 25.888 ( 1.014 -0.819 0.672) 1.466 ======================= Grid point 52 (23/65) ======================= q-point: ( 0.40 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( -14.867 15.901 23.450) 31.996 2.307 ( 24.135 19.286 19.005) 36.272 2.764 ( -34.090 14.490 3.209) 37.181 2.869 ( 5.587 14.873 2.276) 16.050 3.359 ( 17.832 6.356 -24.571) 31.017 3.683 ( 18.795 8.838 -24.393) 32.037 4.030 ( 29.280 13.930 30.937) 44.816 4.099 ( -1.396 12.494 -7.698) 14.742 4.370 ( -12.249 2.597 -2.446) 12.758 4.450 ( -31.718 7.770 -2.026) 32.719 4.644 ( 1.900 7.494 -1.087) 7.807 4.665 ( -2.119 3.511 5.966) 7.240 4.720 ( 0.422 0.293 1.146) 1.256 4.803 ( 1.518 4.141 0.842) 4.490 4.972 ( -1.137 12.792 2.037) 13.003 5.046 ( 5.447 -0.227 0.359) 5.463 5.211 ( 0.677 6.093 -4.656) 7.698 5.409 ( -6.276 -6.717 -2.717) 9.586 5.648 ( 2.787 -3.350 0.421) 4.378 5.718 ( -3.177 1.950 -0.128) 3.730 5.796 ( -1.415 -3.592 1.278) 4.066 5.823 ( 3.767 12.472 3.579) 13.511 5.949 ( -3.240 -1.693 -1.970) 4.153 6.143 ( 0.127 6.224 -1.018) 6.308 6.208 ( 1.598 -4.562 -2.434) 5.412 6.291 ( 2.479 9.726 -4.571) 11.029 6.501 ( 0.839 -4.101 -3.049) 5.179 6.614 ( 2.202 -2.867 -2.548) 4.423 6.656 ( -0.202 4.441 0.257) 4.453 6.667 ( -7.147 0.514 -3.557) 8.000 6.761 ( 2.286 0.081 1.916) 2.984 6.777 ( -3.326 2.154 1.701) 4.313 6.917 ( -1.864 1.243 -4.051) 4.629 6.962 ( 0.633 1.473 -1.461) 2.169 7.091 ( 4.014 4.659 -5.964) 8.566 7.130 ( 4.137 0.395 6.377) 7.612 7.221 ( -0.056 -2.461 4.423) 5.062 7.311 ( 7.302 1.874 5.196) 9.156 7.364 ( -6.255 0.337 5.385) 8.260 7.457 ( 0.006 7.592 3.510) 8.364 7.602 ( -3.705 2.253 4.249) 6.071 7.772 ( -6.972 -8.209 2.708) 11.105 7.941 ( 0.593 3.341 -1.159) 3.585 8.099 ( -1.124 -1.609 -1.279) 2.343 8.182 ( 12.662 -1.393 6.936) 14.504 8.200 ( 3.036 -1.769 -8.303) 9.016 8.296 ( -0.620 1.515 -5.394) 5.637 8.386 ( -6.929 2.916 -2.755) 8.006 8.534 ( 2.063 0.488 -4.046) 4.567 8.654 ( -3.673 -0.462 -3.772) 5.285 8.701 ( -5.037 6.355 -3.867) 8.984 8.971 ( 6.310 4.134 -12.098) 14.257 9.032 ( -3.636 -0.337 1.072) 3.806 9.268 ( -1.444 2.163 -0.049) 2.601 9.293 ( 2.610 1.993 5.225) 6.171 9.426 ( 1.256 3.319 -1.216) 3.751 9.504 ( -2.116 4.589 -0.178) 5.056 9.577 ( 10.337 -2.271 -1.274) 10.660 9.587 ( 1.609 2.214 1.698) 3.221 9.770 ( -4.982 -1.924 -2.379) 5.847 9.826 ( -3.046 0.181 -0.016) 3.051 9.867 ( 1.754 3.201 -4.435) 5.744 9.985 ( -1.044 -6.584 1.825) 6.912 10.134 ( 0.497 -1.394 -6.983) 7.138 10.212 ( -6.211 -1.965 3.814) 7.549 10.244 ( 4.257 -4.943 -4.467) 7.907 10.411 ( 5.994 -1.509 7.111) 9.422 10.451 ( -3.253 0.452 -2.388) 4.061 10.501 ( -4.346 -4.102 -2.409) 6.443 10.554 ( 4.819 3.451 -5.215) 7.895 10.738 ( 1.834 -1.229 -5.133) 5.588 10.754 ( 0.988 3.430 -5.308) 6.397 10.836 ( 4.255 1.396 2.064) 4.931 10.905 ( -2.514 7.408 2.884) 8.337 10.961 ( 0.048 -1.712 -2.461) 2.998 11.068 ( -1.368 -1.776 6.225) 6.616 11.100 ( 0.182 -2.938 3.788) 4.797 11.148 ( 1.595 3.463 6.996) 7.968 11.287 ( -3.583 0.467 -3.058) 4.734 11.342 ( 1.885 2.465 -1.877) 3.626 11.393 ( 1.653 -1.282 2.423) 3.201 11.466 ( -0.026 5.116 5.630) 7.608 11.512 ( 4.023 1.671 2.902) 5.234 11.589 ( 3.272 -2.693 3.086) 5.243 11.612 ( -6.999 -0.287 0.343) 7.013 11.720 ( -2.299 -3.389 0.204) 4.100 11.826 ( -2.752 -2.508 1.733) 4.106 11.852 ( -2.247 -3.241 5.079) 6.431 11.961 ( 1.169 2.504 -0.601) 2.828 12.063 ( 0.782 2.303 1.731) 2.985 12.158 ( 1.858 -7.123 1.006) 7.430 12.204 ( -0.325 -3.069 0.472) 3.122 12.299 ( 1.459 -2.696 -1.133) 3.268 12.310 ( -2.594 -2.287 3.276) 4.763 12.420 ( 1.154 -5.666 4.039) 7.054 12.523 ( 1.027 1.130 1.988) 2.507 12.634 ( 1.219 -2.300 -0.207) 2.612 12.724 ( 0.579 0.621 -3.574) 3.673 12.773 ( -0.824 1.537 -0.308) 1.771 12.858 ( 0.105 -3.684 -3.066) 4.795 12.924 ( -0.666 -3.647 -2.574) 4.513 13.040 ( 0.126 -3.820 3.551) 5.217 13.061 ( -5.733 5.353 5.913) 9.823 13.157 ( -4.162 3.909 -10.836) 12.248 13.304 ( 4.114 -4.343 0.428) 5.997 13.402 ( 4.026 0.803 5.334) 6.730 13.463 ( 9.678 -2.312 -4.061) 10.747 13.577 ( -6.768 -10.660 -4.559) 13.425 13.645 ( 0.940 -4.793 4.500) 6.641 13.780 ( -2.227 -4.171 -1.179) 4.873 13.827 ( -0.962 -2.500 -4.779) 5.479 13.919 ( -0.465 -0.334 2.272) 2.343 14.092 ( 1.425 -0.297 -1.874) 2.372 14.205 ( -3.899 -4.249 5.964) 8.296 14.286 ( -1.674 -3.063 1.251) 3.708 14.455 ( 0.117 2.135 3.668) 4.246 14.583 ( -8.747 0.900 -2.971) 9.282 14.671 ( 1.329 1.503 0.254) 2.022 14.905 ( -0.145 2.991 -5.111) 5.924 14.922 ( 2.612 -0.057 -1.768) 3.155 15.086 ( -0.277 4.669 3.831) 6.045 15.241 ( -0.358 0.440 6.022) 6.048 15.282 ( 1.415 5.065 1.783) 5.553 15.481 ( 4.281 -3.711 -3.279) 6.546 15.685 ( -1.704 0.087 1.809) 2.486 15.801 ( -4.730 -0.100 8.620) 9.833 15.900 ( -3.172 2.262 -1.224) 4.084 16.046 ( 3.988 -1.812 -1.873) 4.764 16.169 ( -2.244 0.578 -3.704) 4.369 16.245 ( -0.746 -11.605 -1.823) 11.771 16.443 ( -2.976 -0.412 0.050) 3.005 16.557 ( 3.487 1.273 4.349) 5.718 16.671 ( -1.509 -3.208 2.736) 4.478 16.762 ( -1.003 0.179 -4.129) 4.253 16.961 ( -1.167 0.610 -2.353) 2.696 17.008 ( 0.869 7.169 -3.419) 7.990 17.017 ( -0.016 1.896 -3.081) 3.618 17.045 ( 1.057 -8.121 1.184) 8.275 17.225 ( -2.251 -1.449 6.025) 6.593 17.260 ( 0.378 4.803 -1.133) 4.949 17.360 ( 4.377 2.880 -10.744) 11.953 17.737 ( -1.760 -4.344 2.343) 5.240 17.916 ( 0.031 0.823 -4.252) 4.331 18.337 ( 0.168 11.475 14.102) 18.181 18.451 ( 6.212 13.594 11.973) 19.150 19.237 ( -5.024 -3.903 -4.261) 7.657 19.436 ( -2.640 -0.007 0.316) 2.659 19.519 ( 0.123 -1.074 -0.092) 1.085 20.023 ( 12.642 -28.823 -23.105) 39.044 21.779 ( 0.222 0.123 -1.499) 1.520 22.039 ( 0.415 1.938 0.852) 2.157 22.588 ( -0.278 -3.644 4.998) 6.192 23.361 ( 3.998 -8.556 -7.730) 12.204 23.819 ( -1.104 -4.252 3.984) 5.931 23.891 ( -1.489 -2.701 2.689) 4.092 24.097 ( -2.029 5.797 3.749) 7.196 24.275 ( -1.018 4.324 -0.849) 4.523 24.461 ( 0.071 5.299 0.152) 5.302 24.704 ( -0.696 9.111 -4.665) 10.260 24.846 ( 0.193 5.501 1.492) 5.703 24.935 ( -0.327 -0.572 0.297) 0.723 25.053 ( -3.391 3.333 6.266) 7.866 25.114 ( 3.880 0.040 3.462) 5.200 25.625 ( -0.480 -4.552 -3.828) 5.967 25.878 ( -1.518 -0.460 -1.492) 2.177 ======================= Grid point 53 (24/65) ======================= q-point: (-0.40 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( -30.580 17.170 17.983) 39.413 2.040 ( -38.098 16.668 4.775) 41.857 2.931 ( 12.811 15.314 15.678) 25.386 3.230 ( -4.521 22.665 4.612) 23.567 3.464 ( -6.955 13.594 15.304) 21.619 3.585 ( 4.749 5.837 -14.519) 16.353 3.796 ( 10.536 7.462 -20.554) 24.272 3.913 ( 0.827 15.061 -21.745) 26.464 4.137 ( -6.741 3.444 -14.442) 16.306 4.572 ( -9.537 9.390 12.046) 18.006 4.630 ( -6.414 2.788 3.693) 7.909 4.744 ( -1.955 2.444 -2.023) 3.727 4.795 ( 1.513 0.579 -0.562) 1.714 4.911 ( 1.693 4.504 6.501) 8.088 4.987 ( -5.842 6.552 10.947) 14.032 5.074 ( 6.680 1.657 11.934) 13.776 5.273 ( 9.415 4.632 -2.447) 10.775 5.322 ( 7.484 -2.483 -8.709) 11.748 5.559 ( -6.321 -3.036 0.193) 7.015 5.662 ( -1.023 3.763 -2.377) 4.567 5.824 ( -0.008 -3.986 0.178) 3.990 5.911 ( 0.730 11.341 3.347) 11.847 5.972 ( 8.274 -9.038 -0.808) 12.280 6.113 ( -2.812 5.034 -0.994) 5.851 6.178 ( -0.239 -3.664 -2.379) 4.376 6.295 ( 0.156 3.856 -2.742) 4.734 6.459 ( -5.395 -2.141 -9.137) 10.825 6.531 ( -1.465 3.461 -3.374) 5.051 6.619 ( 5.227 3.355 -3.372) 7.067 6.677 ( -3.358 0.282 1.265) 3.600 6.800 ( -6.725 -1.551 -0.644) 6.932 6.813 ( 3.358 3.524 1.402) 5.066 6.884 ( 8.601 0.693 5.529) 10.248 7.010 ( 6.167 1.467 -1.061) 6.427 7.046 ( 1.630 6.395 -3.549) 7.493 7.265 ( 1.395 0.508 0.457) 1.553 7.361 ( 2.733 2.558 13.952) 14.445 7.418 ( 9.488 2.883 5.071) 11.138 7.420 ( -3.573 -1.014 5.128) 6.332 7.465 ( -3.729 7.634 4.990) 9.853 7.682 ( 6.609 0.345 1.140) 6.716 7.710 ( 2.674 -1.891 4.636) 5.676 8.022 ( 6.262 7.057 -0.695) 9.460 8.052 ( 0.700 1.986 -9.547) 9.777 8.182 ( 3.304 -3.631 -2.796) 5.650 8.285 ( 2.271 -7.818 -5.384) 9.760 8.322 ( 1.046 6.431 -1.876) 6.780 8.417 ( -2.607 4.199 -2.809) 5.685 8.453 ( 1.598 -3.441 -0.316) 3.807 8.665 ( 10.007 -0.489 3.393) 10.578 8.769 ( 7.626 2.259 0.745) 7.988 8.943 ( -1.186 4.103 -10.792) 11.606 9.001 ( -0.504 -0.741 -0.226) 0.924 9.164 ( -1.421 6.240 -11.650) 13.292 9.347 ( -4.538 2.321 8.253) 9.700 9.377 ( -11.077 -3.343 -0.358) 11.576 9.492 ( -2.511 1.119 -10.801) 11.146 9.521 ( -3.201 0.252 5.590) 6.447 9.592 ( -0.274 1.402 0.517) 1.519 9.663 ( -3.660 -1.569 -3.580) 5.355 9.695 ( -5.790 -1.593 -9.026) 10.841 9.807 ( -3.262 -4.773 -5.904) 8.263 9.979 ( -1.743 -0.835 1.398) 2.385 10.007 ( -2.721 0.293 0.593) 2.800 10.110 ( -5.688 -2.037 -1.905) 6.335 10.260 ( -0.716 -4.755 1.477) 5.030 10.317 ( -0.810 2.526 -3.193) 4.152 10.475 ( -0.717 5.416 -5.484) 7.741 10.529 ( 1.768 0.023 2.576) 3.125 10.661 ( -4.858 4.776 -1.437) 6.963 10.689 ( 0.802 -0.072 -4.079) 4.158 10.774 ( 8.188 -1.147 3.541) 8.994 10.880 ( -1.889 2.435 -0.933) 3.220 10.919 ( 1.247 0.181 -0.830) 1.508 10.953 ( 1.160 -1.113 2.679) 3.124 11.025 ( -3.844 -1.590 0.410) 4.180 11.163 ( -1.297 2.502 3.057) 4.158 11.180 ( -1.681 -3.924 6.015) 7.376 11.258 ( 4.808 -1.577 -1.908) 5.408 11.379 ( -7.641 -2.012 8.342) 11.490 11.437 ( 5.151 3.685 -0.729) 6.375 11.505 ( -2.867 1.470 3.447) 4.718 11.575 ( 5.850 1.206 4.062) 7.224 11.653 ( 7.312 1.749 3.065) 8.119 11.692 ( 0.425 0.187 0.113) 0.478 11.741 ( 0.347 -6.011 4.362) 7.435 11.786 ( 0.655 -1.987 3.383) 3.978 11.881 ( 3.399 -5.328 3.593) 7.270 11.979 ( 1.074 1.146 -1.093) 1.914 12.097 ( 1.482 1.693 1.418) 2.659 12.114 ( -5.448 -6.310 -3.523) 9.050 12.237 ( 1.178 0.658 3.653) 3.894 12.265 ( -1.026 1.242 5.656) 5.881 12.384 ( 4.229 -3.277 0.277) 5.357 12.455 ( -1.706 -4.031 2.848) 5.222 12.592 ( 1.742 3.398 2.865) 4.774 12.673 ( -1.844 -0.269 -5.219) 5.542 12.683 ( 2.754 -6.245 -1.600) 7.010 12.735 ( -1.767 -1.865 -0.727) 2.670 12.796 ( -3.209 -10.314 -4.945) 11.879 12.893 ( -3.007 2.911 -2.186) 4.722 12.938 ( -2.986 -0.374 -6.618) 7.269 12.982 ( -4.914 0.518 2.623) 5.594 13.092 ( -0.209 7.412 4.323) 8.583 13.287 ( -10.293 -11.069 -5.770) 16.179 13.347 ( 0.826 -2.448 -6.515) 7.009 13.536 ( 2.521 -4.189 6.274) 7.954 13.629 ( 5.404 -1.054 0.705) 5.551 13.688 ( -0.545 -6.085 3.573) 7.077 13.740 ( 0.270 -0.898 -0.157) 0.951 13.829 ( 0.079 -3.921 -1.860) 4.341 13.981 ( 7.567 0.245 -0.730) 7.606 14.128 ( 0.421 -3.322 2.704) 4.304 14.186 ( -1.907 -2.333 6.656) 7.307 14.265 ( 0.594 -5.261 -4.433) 6.905 14.371 ( -6.238 1.955 1.088) 6.627 14.506 ( 0.941 1.408 -0.161) 1.701 14.679 ( 0.435 0.355 0.513) 0.760 14.838 ( -3.872 -1.303 -5.231) 6.637 15.018 ( -4.727 9.680 -2.723) 11.111 15.063 ( 8.249 -3.024 1.646) 8.939 15.173 ( -5.760 8.206 3.594) 10.650 15.362 ( 1.737 4.747 2.456) 5.620 15.558 ( 3.829 -1.108 4.280) 5.849 15.659 ( -2.037 -1.814 1.768) 3.250 15.822 ( -1.979 0.550 4.901) 5.314 15.905 ( 6.146 -1.869 0.654) 6.457 16.096 ( 0.958 -5.328 -5.932) 8.031 16.174 ( 1.661 2.022 4.583) 5.278 16.245 ( 3.484 -6.350 0.232) 7.247 16.345 ( -3.030 2.650 -4.744) 6.222 16.537 ( -3.705 2.319 0.583) 4.409 16.665 ( -1.324 -2.543 0.989) 3.033 16.778 ( 1.786 -0.050 0.547) 1.868 16.857 ( -3.935 1.979 -8.072) 9.195 16.938 ( -0.834 3.126 -1.805) 3.705 17.050 ( 2.204 -3.043 -0.972) 3.881 17.098 ( 1.865 -2.608 -0.468) 3.240 17.239 ( -0.132 -2.556 4.212) 4.929 17.272 ( -0.011 8.904 -1.754) 9.075 17.418 ( 8.406 -0.840 -4.486) 9.565 17.680 ( -4.056 -5.399 -2.070) 7.063 17.892 ( 0.074 1.245 -1.196) 1.729 18.385 ( -4.851 10.141 14.175) 18.091 18.576 ( -9.370 14.108 15.645) 23.057 19.207 ( 9.404 -7.921 -6.044) 13.700 19.412 ( -0.611 0.222 -0.301) 0.716 19.524 ( 0.268 -1.322 -0.085) 1.352 20.007 ( 3.481 -22.725 -26.218) 34.871 21.771 ( 0.316 0.283 -1.576) 1.632 22.047 ( -0.287 1.829 0.914) 2.065 22.642 ( 0.015 -4.333 7.511) 8.671 23.298 ( -2.916 -9.398 -11.423) 15.077 23.836 ( -0.903 -5.252 4.859) 7.211 23.880 ( -1.472 -2.405 2.917) 4.057 24.080 ( -2.004 6.683 3.401) 7.762 24.275 ( 1.470 4.624 -0.779) 4.914 24.463 ( -0.042 5.443 0.214) 5.447 24.675 ( 1.033 7.568 -3.528) 8.414 24.872 ( 1.182 4.653 1.096) 4.925 24.927 ( -0.385 -0.709 -0.403) 0.901 25.034 ( -1.983 -0.686 2.816) 3.511 25.266 ( 4.922 3.805 12.102) 13.608 25.595 ( 1.094 -3.639 -6.109) 7.194 25.833 ( -0.102 0.707 -3.099) 3.181 ======================= Grid point 54 (25/65) ======================= q-point: (-0.20 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( -23.009 22.138 31.158) 44.613 1.378 ( -28.165 25.067 19.316) 42.365 2.324 ( -43.474 47.651 24.493) 68.996 3.473 ( 0.935 7.547 -22.336) 23.595 3.561 ( -4.736 14.119 -21.237) 25.938 3.648 ( 23.115 9.909 10.670) 27.320 3.965 ( 11.208 5.782 -7.218) 14.531 4.002 ( 15.257 5.550 -0.596) 16.246 4.080 ( 14.194 8.641 -10.263) 19.531 4.390 ( -13.222 3.749 0.704) 13.761 4.553 ( -8.926 5.951 0.710) 10.752 4.559 ( -11.027 6.933 8.993) 15.828 4.716 ( -13.616 3.684 14.765) 20.420 4.835 ( -0.763 2.762 3.170) 4.273 4.912 ( -6.033 8.726 8.201) 13.409 5.201 ( 2.277 3.435 -1.502) 4.386 5.408 ( 3.335 -3.808 -6.385) 8.148 5.467 ( 1.113 -13.333 -4.382) 14.079 5.539 ( 6.001 2.023 -0.742) 6.376 5.606 ( -1.828 5.974 1.468) 6.418 5.840 ( 1.566 4.475 1.674) 5.027 5.893 ( -4.340 7.259 0.437) 8.468 6.034 ( -1.823 5.629 -1.339) 6.066 6.168 ( 2.965 -2.955 -2.350) 4.801 6.237 ( 6.876 -5.127 -1.690) 8.742 6.279 ( 1.415 1.321 1.746) 2.607 6.353 ( 1.668 -4.996 -6.509) 8.373 6.440 ( -1.844 -2.250 -0.404) 2.937 6.618 ( -4.418 5.380 0.611) 6.989 6.631 ( -0.544 3.799 0.876) 3.936 6.791 ( -1.499 4.557 -0.503) 4.823 6.841 ( 4.276 2.636 1.353) 5.203 6.977 ( 1.806 1.160 -0.194) 2.155 7.056 ( 0.662 -0.336 -5.981) 6.027 7.230 ( 7.659 3.914 -5.293) 10.100 7.296 ( 1.667 2.423 -3.535) 4.598 7.372 ( 0.708 -2.187 7.812) 8.143 7.455 ( -0.664 4.315 6.166) 7.556 7.573 ( 5.729 6.660 8.331) 12.107 7.677 ( 6.817 -2.572 1.013) 7.356 7.711 ( 2.793 -1.174 2.243) 3.770 7.852 ( 5.119 -4.251 1.021) 6.732 7.977 ( 0.819 2.110 -6.633) 7.009 8.107 ( 0.593 1.291 -7.740) 7.869 8.164 ( -1.908 5.178 1.735) 5.785 8.272 ( -4.639 -2.534 -0.406) 5.301 8.401 ( 6.065 2.212 -2.005) 6.759 8.463 ( 4.347 -4.484 -5.752) 8.490 8.510 ( 8.861 -2.511 -4.788) 10.380 8.646 ( -5.450 -0.627 -12.667) 13.804 8.819 ( 1.432 0.018 -2.356) 2.757 8.873 ( -5.665 0.212 -3.500) 6.663 9.005 ( 5.662 5.347 -3.348) 8.477 9.131 ( -1.114 1.204 -1.963) 2.558 9.196 ( -9.539 2.949 7.580) 12.536 9.253 ( -0.331 -2.231 -3.605) 4.253 9.313 ( -1.484 2.632 2.472) 3.904 9.441 ( -5.048 -3.426 -5.493) 8.210 9.555 ( -4.384 2.522 0.126) 5.059 9.611 ( 1.862 4.969 -3.744) 6.494 9.664 ( 2.896 -0.548 4.254) 5.175 9.804 ( -0.392 0.291 2.263) 2.315 9.905 ( -0.865 -1.780 1.746) 2.639 9.943 ( -4.414 7.442 -1.950) 8.870 10.029 ( -5.657 -4.969 5.091) 9.089 10.236 ( -3.744 -1.414 1.457) 4.259 10.297 ( 0.245 2.754 2.197) 3.532 10.388 ( -1.866 8.585 -2.081) 9.029 10.524 ( -2.060 6.781 -0.570) 7.109 10.575 ( -3.311 5.644 4.557) 7.974 10.697 ( 0.473 -0.084 -4.118) 4.146 10.828 ( -1.955 -2.906 -0.011) 3.502 10.891 ( -1.187 0.509 -1.274) 1.814 10.935 ( 3.185 -2.267 2.587) 4.688 10.962 ( -0.673 1.662 -1.421) 2.288 11.010 ( -0.445 -1.230 2.941) 3.218 11.132 ( -1.008 -0.471 4.178) 4.323 11.192 ( -3.013 3.203 4.171) 6.061 11.273 ( -2.110 -5.457 0.812) 5.907 11.381 ( 4.503 -6.188 2.641) 8.096 11.442 ( -4.049 -2.223 1.925) 5.004 11.524 ( -0.539 -1.338 -3.822) 4.085 11.632 ( 1.514 1.276 -2.583) 3.254 11.688 ( 0.540 -1.492 -0.491) 1.661 11.769 ( 0.797 -1.657 0.819) 2.013 11.825 ( 1.335 -2.211 -0.191) 2.590 11.878 ( 3.259 -0.193 1.729) 3.694 11.916 ( 1.884 -1.310 -0.268) 2.311 12.008 ( -0.781 -3.743 4.237) 5.707 12.078 ( 0.473 0.967 3.272) 3.445 12.099 ( 0.487 1.730 -4.232) 4.598 12.186 ( 1.366 -2.676 0.994) 3.165 12.327 ( -5.976 2.327 -1.854) 6.676 12.448 ( 4.980 0.505 4.230) 6.554 12.493 ( 0.831 -4.634 3.915) 6.123 12.525 ( -5.043 -1.242 -4.100) 6.617 12.567 ( -1.883 -3.996 -2.744) 5.201 12.642 ( -5.102 -1.799 -2.304) 5.880 12.673 ( -3.406 -0.268 1.366) 3.679 12.750 ( -1.280 -9.675 1.505) 9.875 12.854 ( 3.339 2.126 3.408) 5.223 12.868 ( -1.102 -7.638 -7.763) 10.946 12.943 ( -3.219 0.380 3.827) 5.015 13.108 ( -2.800 -3.932 0.587) 4.863 13.133 ( 1.163 4.521 2.895) 5.492 13.356 ( 3.465 1.022 -6.280) 7.244 13.502 ( -5.965 -2.924 -1.758) 6.871 13.677 ( 1.602 -3.179 1.139) 3.737 13.741 ( 0.600 -1.845 1.759) 2.618 13.782 ( 3.061 -4.511 -0.742) 5.502 13.858 ( 3.514 -5.507 2.400) 6.960 14.105 ( -4.349 -4.969 4.525) 8.005 14.134 ( 3.796 -1.405 3.084) 5.089 14.239 ( 4.040 -1.300 0.403) 4.263 14.297 ( 2.399 -12.013 -6.579) 13.905 14.325 ( 3.810 3.649 3.368) 6.259 14.567 ( 2.985 3.188 3.911) 5.862 14.670 ( -3.151 0.450 0.280) 3.195 14.697 ( -4.526 1.643 -2.355) 5.360 14.836 ( -8.413 5.726 1.583) 10.299 15.141 ( -3.078 -4.119 0.651) 5.183 15.188 ( 7.554 4.462 -11.548) 14.503 15.441 ( 4.712 4.258 2.344) 6.770 15.608 ( -3.140 -3.719 -0.191) 4.871 15.793 ( 3.431 1.460 2.920) 4.736 15.826 ( 9.775 2.872 8.275) 13.125 16.050 ( 4.609 -1.956 -1.216) 5.152 16.091 ( 1.638 -0.482 6.460) 6.682 16.193 ( 0.659 -12.861 -0.267) 12.881 16.271 ( 2.032 5.611 -4.334) 7.376 16.376 ( 3.508 5.977 1.019) 7.005 16.474 ( -4.515 0.346 3.362) 5.639 16.696 ( 3.370 1.214 1.484) 3.877 16.733 ( -1.430 -0.839 -6.638) 6.842 16.816 ( 1.166 2.602 4.652) 5.456 16.928 ( 0.973 6.206 -1.239) 6.403 17.073 ( 0.913 -5.040 -0.778) 5.181 17.133 ( 2.162 -1.106 0.059) 2.429 17.240 ( -1.025 9.039 -2.186) 9.356 17.274 ( 1.802 -3.477 -0.210) 3.922 17.549 ( -6.430 -8.073 -3.619) 10.937 17.612 ( 11.380 -2.147 1.135) 11.637 17.897 ( 0.482 1.165 0.151) 1.270 18.361 ( -13.218 13.372 6.754) 19.978 18.432 ( -3.101 4.960 14.056) 15.225 19.369 ( -4.398 -2.387 -4.304) 6.600 19.421 ( 9.797 -11.090 -3.986) 15.325 19.520 ( -0.892 -2.025 -1.035) 2.443 19.673 ( -15.973 -6.103 -20.907) 27.009 21.772 ( 0.845 0.611 -1.256) 1.632 22.039 ( -1.310 1.485 0.677) 2.093 22.675 ( -2.654 -4.367 6.708) 8.432 23.105 ( -5.124 -7.555 -9.929) 13.488 23.841 ( -1.599 -4.339 3.088) 5.561 23.885 ( -0.790 -3.623 3.799) 5.309 24.077 ( -1.205 5.715 4.116) 7.146 24.310 ( 2.343 1.150 -1.095) 2.831 24.463 ( -0.172 5.458 0.174) 5.463 24.688 ( 3.122 6.091 -4.372) 8.122 24.905 ( 1.120 3.081 0.616) 3.336 24.920 ( 0.323 0.477 -0.393) 0.697 25.013 ( -1.559 -1.448 0.944) 2.328 25.413 ( -1.588 -0.420 3.683) 4.033 25.639 ( 8.878 -0.515 -0.683) 8.919 25.859 ( 3.727 2.822 0.300) 4.685 ======================= Grid point 55 (26/65) ======================= q-point: ( 0.00 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.008 ( 3.187 35.002 23.048) 42.030 2.063 ( 1.778 33.434 24.026) 41.210 3.166 ( -2.775 53.393 21.186) 57.509 3.521 ( 1.778 13.314 -20.607) 24.599 3.765 ( 1.760 16.323 -19.065) 25.159 3.988 ( -20.931 6.312 -5.492) 22.541 4.137 ( 5.835 2.583 0.376) 6.392 4.324 ( 8.487 2.340 -11.677) 14.624 4.364 ( -0.095 12.777 3.233) 13.180 4.488 ( 5.421 6.843 4.749) 9.938 4.611 ( 6.708 9.093 4.034) 11.998 4.714 ( -3.403 2.401 3.380) 5.364 4.734 ( -2.103 7.032 0.328) 7.347 4.926 ( 1.521 -6.324 10.283) 12.167 4.990 ( 2.513 3.993 -1.644) 4.996 5.183 ( -0.529 8.208 -0.227) 8.228 5.307 ( 0.724 4.777 -2.125) 5.278 5.531 ( 4.218 -0.004 7.089) 8.249 5.579 ( -1.709 1.207 1.003) 2.320 5.793 ( 3.073 1.568 1.993) 3.984 5.865 ( -2.230 2.342 -2.436) 4.048 6.050 ( -1.238 3.570 2.495) 4.528 6.073 ( 2.469 2.904 3.070) 4.894 6.213 ( 1.792 -4.864 -3.643) 6.336 6.285 ( 3.635 3.892 0.178) 5.329 6.336 ( 2.320 5.181 2.492) 6.200 6.400 ( -0.871 7.530 -1.022) 7.649 6.470 ( 2.660 7.071 3.156) 8.188 6.612 ( 1.573 -0.826 1.576) 2.374 6.661 ( -1.661 -12.963 -8.335) 15.500 6.806 ( -4.522 2.407 2.179) 5.567 6.919 ( 4.117 9.516 0.477) 10.379 7.009 ( -5.630 -3.619 0.041) 6.693 7.061 ( 3.063 9.587 -4.222) 10.914 7.150 ( -4.255 1.672 -10.693) 11.629 7.234 ( -4.967 2.507 -4.774) 7.331 7.432 ( -8.346 -6.975 1.642) 11.000 7.535 ( -4.983 3.415 0.316) 6.049 7.633 ( -3.043 6.637 -4.775) 8.724 7.725 ( -2.775 -2.368 -4.627) 5.892 7.781 ( 3.785 2.848 -2.295) 5.264 7.857 ( 2.225 -4.198 1.529) 4.991 8.005 ( -1.500 0.146 -8.037) 8.177 8.027 ( -10.252 1.369 -9.838) 14.275 8.119 ( 3.009 7.644 3.778) 9.042 8.226 ( 0.623 2.127 -4.231) 4.777 8.342 ( -0.283 4.200 -4.524) 6.180 8.407 ( 1.598 -5.036 -2.567) 5.874 8.706 ( 1.834 0.775 2.449) 3.157 8.745 ( 1.148 6.087 3.068) 6.913 8.807 ( 2.539 0.636 3.794) 4.610 8.907 ( -7.970 -4.233 1.833) 9.209 9.049 ( 9.258 2.780 8.122) 12.626 9.053 ( 3.347 0.304 3.291) 4.704 9.208 ( 2.350 4.288 4.090) 6.374 9.330 ( 1.329 -0.346 -0.079) 1.375 9.424 ( -0.673 3.911 2.279) 4.577 9.474 ( 2.470 4.693 7.717) 9.363 9.601 ( 0.025 7.058 -1.703) 7.261 9.701 ( 3.039 -0.395 4.982) 5.849 9.787 ( -0.770 3.250 -2.821) 4.372 9.819 ( 2.906 -2.278 6.952) 7.872 9.928 ( -2.496 3.729 -3.576) 5.738 9.998 ( 3.598 3.288 5.366) 7.249 10.116 ( 6.689 -2.214 -2.552) 7.493 10.164 ( -1.990 6.525 1.965) 7.099 10.398 ( 0.621 1.019 3.104) 3.325 10.517 ( -3.090 -0.816 6.898) 7.602 10.567 ( 3.031 2.018 -7.023) 7.911 10.665 ( 1.803 0.100 -5.085) 5.396 10.734 ( -0.774 0.831 -5.660) 5.773 10.793 ( -0.701 7.045 -0.902) 7.137 10.859 ( -0.532 -2.997 0.661) 3.115 10.874 ( -4.663 0.641 1.311) 4.886 10.944 ( 3.130 -2.364 4.187) 5.737 11.046 ( 2.823 0.226 1.953) 3.440 11.102 ( -3.853 -2.275 -4.557) 6.387 11.160 ( -2.012 6.399 -0.542) 6.730 11.254 ( 2.571 -3.555 -0.409) 4.406 11.316 ( 2.332 -4.829 -3.055) 6.172 11.415 ( -1.604 -0.461 -1.301) 2.116 11.467 ( 1.545 2.824 3.255) 4.578 11.578 ( 2.540 -3.128 -2.409) 4.695 11.603 ( -3.049 -5.740 -2.331) 6.905 11.673 ( -5.119 -0.615 -3.810) 6.410 11.806 ( 2.373 -3.696 -2.661) 5.135 11.858 ( -0.180 0.280 -0.400) 0.520 11.876 ( -4.006 0.518 1.636) 4.358 11.971 ( -2.930 -6.451 10.106) 12.343 12.053 ( 1.234 -4.575 4.263) 6.374 12.099 ( -4.622 2.706 -0.451) 5.375 12.161 ( -3.133 -3.410 -1.193) 4.782 12.196 ( 0.218 -4.498 -0.077) 4.504 12.308 ( 0.773 -8.117 3.610) 8.917 12.418 ( -1.970 -0.142 -4.630) 5.034 12.431 ( -4.367 -0.594 -3.077) 5.375 12.553 ( 2.468 -4.276 2.811) 5.681 12.591 ( 0.637 -6.132 -0.559) 6.190 12.652 ( 0.780 1.916 3.748) 4.281 12.715 ( 6.706 -5.462 3.655) 9.389 12.813 ( 6.275 3.418 3.574) 7.989 12.881 ( -2.447 1.399 -2.136) 3.537 12.982 ( 3.236 -2.550 5.650) 6.993 13.035 ( -4.269 1.712 -2.358) 5.169 13.215 ( -0.303 1.002 1.455) 1.793 13.332 ( 1.934 -3.266 -7.392) 8.309 13.391 ( 1.381 -3.380 -0.949) 3.772 13.532 ( -3.929 -11.434 -3.470) 12.578 13.645 ( 0.435 -4.902 -1.757) 5.225 13.744 ( 1.553 0.067 2.536) 2.975 13.892 ( -2.776 -7.999 2.724) 8.894 13.909 ( -1.542 -2.769 1.573) 3.538 14.042 ( 3.652 -7.264 -4.354) 9.223 14.130 ( 0.440 -3.699 4.307) 5.694 14.225 ( 1.136 -5.269 -1.482) 5.590 14.499 ( 4.877 1.072 0.535) 5.022 14.532 ( -2.762 -1.462 -0.852) 3.239 14.637 ( -2.437 1.136 2.632) 3.763 14.778 ( 1.176 2.960 1.116) 3.375 14.932 ( -2.135 1.317 1.150) 2.760 14.999 ( 3.457 1.242 3.306) 4.942 15.209 ( 4.473 -4.892 -6.845) 9.528 15.366 ( -1.963 -2.181 -5.624) 6.344 15.631 ( 1.295 0.126 1.243) 1.799 15.703 ( 0.812 -10.403 -6.269) 12.173 15.896 ( 0.945 -0.460 0.250) 1.080 16.062 ( -0.169 -0.203 -1.319) 1.345 16.117 ( -3.292 3.789 5.328) 7.320 16.224 ( -6.295 1.075 1.776) 6.629 16.299 ( -4.595 -1.414 3.801) 6.128 16.412 ( 6.053 1.397 -1.573) 6.408 16.500 ( -4.048 5.205 -3.216) 7.336 16.673 ( 2.011 0.149 2.410) 3.143 16.738 ( -1.316 -0.678 0.825) 1.695 16.943 ( -4.730 -1.527 0.363) 4.983 16.991 ( 3.170 0.305 1.092) 3.366 17.125 ( -3.524 -1.902 -4.553) 6.063 17.159 ( 1.072 6.150 1.398) 6.398 17.255 ( -1.595 -0.388 1.684) 2.352 17.294 ( 4.612 3.267 2.933) 6.367 17.492 ( 2.469 8.638 -5.851) 10.721 17.707 ( 2.196 -3.501 2.842) 5.015 17.899 ( 2.210 -1.318 0.615) 2.645 18.370 ( 6.258 -0.484 1.179) 6.386 18.574 ( -5.160 12.381 2.147) 13.584 19.159 ( -4.946 -1.392 -3.508) 6.221 19.198 ( 1.398 -14.868 -2.077) 15.078 19.482 ( -0.780 -0.527 0.678) 1.160 19.548 ( -2.160 0.991 -2.116) 3.182 21.801 ( 0.560 1.148 -0.977) 1.609 22.077 ( -0.162 3.946 0.486) 3.979 22.548 ( -2.781 -5.351 3.445) 6.945 22.928 ( 4.751 -7.887 -0.631) 9.229 23.751 ( -0.938 -3.240 1.677) 3.767 23.849 ( -0.469 -1.506 1.782) 2.380 24.230 ( -0.401 7.994 1.567) 8.156 24.313 ( 0.127 -0.270 -0.399) 0.499 24.594 ( -0.401 6.655 0.578) 6.692 24.770 ( 2.567 0.231 -5.322) 5.913 24.907 ( 0.370 0.228 1.069) 1.154 24.947 ( -0.482 -2.842 0.106) 2.884 25.030 ( 0.963 3.072 -0.476) 3.254 25.356 ( -2.809 2.715 -0.601) 3.953 25.692 ( 1.350 -4.004 0.071) 4.226 25.947 ( -1.994 3.599 -1.324) 4.322 ======================= Grid point 56 (27/65) ======================= q-point: ( 0.20 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.300 ( 9.745 31.921 18.971) 38.390 2.420 ( 10.036 27.956 26.967) 40.118 3.395 ( -7.863 13.861 -16.833) 23.180 3.485 ( -9.334 11.936 -9.781) 18.035 3.591 ( 21.209 38.314 20.657) 48.420 3.743 ( 2.521 17.154 -14.933) 22.883 3.894 ( -11.131 11.505 -4.136) 16.534 4.360 ( -0.645 -2.535 3.089) 4.047 4.474 ( 6.441 2.489 -6.464) 9.458 4.599 ( -2.010 10.004 -0.459) 10.215 4.683 ( 0.438 0.333 3.423) 3.467 4.738 ( 3.943 0.694 1.299) 4.209 4.818 ( 4.572 9.677 4.565) 11.635 4.960 ( 2.298 2.097 1.471) 3.441 5.099 ( 1.729 8.417 0.902) 8.640 5.208 ( 4.098 -0.082 -5.505) 6.864 5.304 ( 0.322 4.568 0.002) 4.579 5.516 ( -3.983 0.544 1.285) 4.220 5.586 ( -6.178 1.210 5.190) 8.159 5.787 ( -1.824 0.252 0.390) 1.882 5.893 ( -3.325 -0.026 0.318) 3.340 5.965 ( -8.715 2.427 -5.566) 10.622 6.057 ( -1.919 2.292 2.788) 4.088 6.186 ( 5.922 8.865 -1.861) 10.822 6.302 ( -2.759 6.041 -6.109) 9.023 6.387 ( 0.789 4.669 6.490) 8.034 6.490 ( 7.119 5.534 3.489) 9.669 6.565 ( 0.108 -0.903 1.218) 1.520 6.634 ( 7.549 -0.916 -4.266) 8.719 6.730 ( -3.643 -1.143 5.817) 6.958 6.776 ( 5.553 -1.244 4.346) 7.161 6.822 ( -3.628 -1.773 -1.391) 4.271 6.941 ( 1.127 1.931 -4.816) 5.310 6.981 ( -5.431 1.655 -8.316) 10.069 7.114 ( 2.066 6.568 -6.210) 9.272 7.157 ( -1.780 2.767 -7.019) 7.752 7.292 ( -2.486 1.206 -0.017) 2.763 7.428 ( -2.578 1.943 2.493) 4.079 7.537 ( -9.292 7.792 -1.641) 12.237 7.604 ( -0.542 11.472 4.326) 12.272 7.722 ( -6.872 -4.501 -2.937) 8.724 7.763 ( -4.611 0.622 -0.228) 4.658 7.918 ( 4.991 2.292 1.597) 5.719 8.055 ( -1.155 5.632 -2.569) 6.297 8.096 ( 0.060 1.210 -2.331) 2.626 8.182 ( -0.214 0.441 -4.933) 4.958 8.363 ( 0.975 -4.722 -5.815) 7.554 8.428 ( 4.340 -0.804 -0.232) 4.420 8.694 ( -7.261 -2.046 -5.710) 9.461 8.729 ( -1.104 0.985 1.462) 2.080 8.841 ( 4.741 2.673 2.844) 6.141 8.931 ( 2.996 -1.362 2.142) 3.927 9.068 ( -7.600 -0.659 3.137) 8.248 9.205 ( 5.719 3.947 5.070) 8.602 9.386 ( 2.738 4.171 -1.942) 5.354 9.452 ( 9.308 4.396 5.343) 11.598 9.486 ( 4.263 -0.645 1.464) 4.553 9.508 ( 0.223 5.922 1.127) 6.032 9.653 ( 2.357 4.601 4.251) 6.693 9.731 ( -0.771 -1.837 0.802) 2.148 9.761 ( -0.078 -0.104 -1.241) 1.248 9.843 ( -0.005 0.681 -0.594) 0.904 9.967 ( 0.219 -0.496 12.689) 12.700 10.034 ( 0.223 5.486 -0.374) 5.503 10.169 ( -0.635 -3.369 6.107) 7.004 10.303 ( 9.130 1.846 -0.839) 9.352 10.391 ( -4.061 8.937 -7.526) 12.370 10.472 ( -4.228 -4.720 2.783) 6.921 10.509 ( -2.280 1.645 -4.386) 5.210 10.588 ( -2.310 -6.672 -7.214) 10.095 10.617 ( -1.605 -2.889 -3.678) 4.945 10.816 ( -0.241 -2.665 0.356) 2.699 10.836 ( 2.004 1.583 3.713) 4.506 10.924 ( 0.530 0.915 -1.473) 1.813 10.997 ( 0.715 -0.759 -4.333) 4.457 11.044 ( 0.876 0.062 5.014) 5.090 11.114 ( -2.178 4.568 -1.929) 5.416 11.173 ( 5.962 3.699 -2.266) 7.373 11.296 ( 3.752 -4.300 4.129) 7.044 11.348 ( 3.902 0.280 -3.075) 4.976 11.403 ( 0.702 -0.376 -2.451) 2.577 11.475 ( -1.391 4.714 1.385) 5.106 11.496 ( -1.649 -2.999 -1.575) 3.768 11.525 ( -2.237 1.312 -7.597) 8.027 11.688 ( -0.440 -4.062 8.319) 9.268 11.775 ( -8.542 -1.033 4.978) 9.941 11.803 ( -5.080 0.484 1.579) 5.342 11.905 ( 0.129 -2.918 0.741) 3.013 11.943 ( -0.555 -0.452 -1.953) 2.080 12.003 ( 1.085 -1.540 1.052) 2.157 12.084 ( -1.524 -5.460 3.678) 6.757 12.110 ( 1.288 -3.911 -3.637) 5.494 12.198 ( 0.213 2.650 -1.617) 3.111 12.269 ( -4.780 -5.329 1.773) 7.375 12.315 ( -1.424 -5.178 -0.064) 5.370 12.453 ( 1.512 -2.274 0.375) 2.757 12.613 ( 2.385 -7.914 -0.791) 8.303 12.618 ( -1.031 -2.232 4.745) 5.344 12.716 ( 3.867 -2.838 1.561) 5.044 12.851 ( 0.379 -0.091 -0.730) 0.828 12.890 ( 1.163 -1.519 2.254) 2.956 12.924 ( 2.232 1.994 -4.503) 5.407 13.010 ( 7.471 -3.385 5.942) 10.128 13.081 ( 3.791 -5.504 1.948) 6.962 13.249 ( 0.388 1.700 6.098) 6.342 13.276 ( 0.667 -1.598 -11.010) 11.145 13.415 ( 1.885 -0.716 -1.812) 2.711 13.426 ( -5.083 -14.880 -0.402) 15.729 13.615 ( -0.631 -2.265 -3.564) 4.269 13.791 ( -0.693 -0.716 1.708) 1.978 13.826 ( -3.455 -7.861 -0.378) 8.595 13.875 ( -1.175 -0.193 -1.019) 1.567 14.032 ( -0.536 -6.788 -2.587) 7.284 14.136 ( -2.660 -4.022 0.682) 4.870 14.230 ( -1.721 -5.790 5.367) 8.080 14.486 ( -0.637 2.667 0.984) 2.913 14.588 ( 4.314 0.432 -0.632) 4.381 14.686 ( 2.019 -1.037 2.024) 3.041 14.851 ( 2.697 -2.638 1.835) 4.195 14.952 ( 4.147 -2.171 3.763) 6.006 15.066 ( 0.595 5.889 -2.524) 6.434 15.262 ( 5.491 -6.551 -5.576) 10.206 15.302 ( -0.244 3.530 -5.765) 6.764 15.586 ( -6.728 2.706 -2.888) 7.806 15.683 ( -0.855 -5.436 1.479) 5.698 15.835 ( -5.716 -3.377 -1.896) 6.905 15.914 ( -4.755 1.049 4.514) 6.640 16.066 ( -2.839 -0.459 -2.088) 3.554 16.180 ( -4.435 6.831 1.577) 8.296 16.273 ( 3.604 -2.603 6.056) 7.512 16.405 ( -4.740 4.217 -0.688) 6.381 16.543 ( 3.922 3.534 -1.824) 5.586 16.681 ( -2.611 -0.635 3.494) 4.408 16.745 ( 2.063 -5.283 0.592) 5.703 16.834 ( -4.436 -1.139 1.848) 4.939 17.036 ( -3.314 -0.318 -0.834) 3.432 17.058 ( 1.670 0.241 0.049) 1.688 17.179 ( -0.708 0.855 2.849) 3.058 17.216 ( -2.394 3.400 0.088) 4.159 17.362 ( 0.823 6.124 -1.548) 6.370 17.491 ( 1.921 6.221 -5.322) 8.409 17.701 ( -2.520 -1.798 3.069) 4.359 17.934 ( 1.945 0.406 -3.653) 4.158 18.447 ( 2.752 12.565 -0.634) 12.879 18.663 ( 3.922 12.193 7.246) 14.716 19.144 ( 6.045 -17.664 -7.044) 19.954 19.223 ( 4.806 -13.810 -0.886) 14.649 19.471 ( -1.112 -2.006 0.685) 2.394 19.519 ( -0.296 -2.130 -1.246) 2.485 21.796 ( -0.180 0.770 -0.970) 1.252 22.088 ( 0.676 4.354 0.279) 4.415 22.511 ( -2.755 -4.329 2.814) 5.852 23.056 ( 6.868 -11.070 -1.615) 13.127 23.744 ( -0.926 -3.058 1.775) 3.655 23.851 ( -0.671 -1.635 1.636) 2.408 24.238 ( -0.055 7.853 1.577) 8.010 24.313 ( 0.234 0.136 -0.481) 0.552 24.593 ( -0.111 6.774 0.588) 6.800 24.788 ( 3.088 -0.106 -5.374) 6.199 24.916 ( -0.234 0.270 0.618) 0.714 24.943 ( 0.337 -2.193 -0.245) 2.233 25.045 ( 0.585 1.777 0.317) 1.897 25.294 ( -3.071 7.970 0.789) 8.577 25.630 ( -5.889 -2.736 -0.829) 6.546 25.903 ( -1.015 2.406 0.284) 2.627 ======================= Grid point 57 (28/65) ======================= q-point: ( 0.40 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.579 ( -12.489 26.689 11.655) 31.688 2.714 ( 7.835 20.319 10.626) 24.231 3.088 ( -12.419 16.230 10.141) 22.814 3.270 ( -0.159 20.374 -0.448) 20.380 3.595 ( 9.953 15.191 -18.958) 26.254 3.869 ( 12.934 7.900 -18.671) 24.048 4.310 ( -1.993 -0.902 3.274) 3.937 4.389 ( 1.897 14.943 -1.141) 15.106 4.458 ( 22.025 14.875 11.646) 29.017 4.604 ( -6.598 -1.813 -2.593) 7.318 4.655 ( 1.977 -0.284 -1.644) 2.587 4.741 ( -4.371 -0.058 -2.953) 5.275 4.830 ( -16.230 11.714 -0.135) 20.016 4.966 ( 2.861 10.811 0.934) 11.222 5.047 ( -1.277 2.619 5.333) 6.077 5.219 ( 0.191 6.161 -2.547) 6.669 5.264 ( -3.137 -6.151 -8.881) 11.249 5.416 ( -8.295 8.531 1.212) 11.961 5.499 ( 1.803 -3.561 -0.835) 4.077 5.673 ( -4.796 -3.418 -1.342) 6.040 5.830 ( -0.432 -1.718 5.186) 5.480 5.856 ( -1.452 2.500 -4.739) 5.551 6.112 ( 2.405 4.992 -0.574) 5.571 6.251 ( 3.651 -1.615 -6.549) 7.670 6.288 ( 2.631 12.594 -1.841) 12.997 6.376 ( -2.173 6.049 2.257) 6.812 6.466 ( -6.263 -1.465 -2.001) 6.736 6.586 ( 1.762 4.077 2.248) 4.978 6.669 ( -6.810 0.017 -0.235) 6.814 6.780 ( -2.105 1.375 5.327) 5.891 6.801 ( 3.534 6.092 1.431) 7.187 6.828 ( 4.827 4.443 0.563) 6.585 6.949 ( -4.617 4.069 -7.147) 9.431 7.032 ( 2.908 5.439 5.766) 8.443 7.079 ( 7.037 -0.461 -1.333) 7.177 7.169 ( 11.078 4.188 -0.871) 11.875 7.298 ( 0.705 -2.592 -4.980) 5.658 7.380 ( -1.182 8.783 8.090) 11.999 7.477 ( 2.691 11.062 5.743) 12.751 7.643 ( 0.281 5.997 0.288) 6.011 7.680 ( -7.667 4.621 13.299) 16.031 7.719 ( 2.103 10.932 8.067) 13.747 7.969 ( -1.754 1.864 0.899) 2.713 8.084 ( 1.670 -1.632 -2.892) 3.718 8.107 ( 1.054 -5.668 -5.320) 7.845 8.201 ( 11.509 3.239 2.704) 12.258 8.280 ( -3.865 -0.296 -7.326) 8.288 8.484 ( -0.699 2.907 -4.867) 5.712 8.562 ( 3.035 2.915 -6.741) 7.947 8.659 ( -7.033 0.586 0.170) 7.059 8.841 ( -1.847 5.963 0.488) 6.261 8.985 ( -3.072 -3.206 3.422) 5.606 9.028 ( 5.345 -0.335 -1.828) 5.659 9.333 ( 2.000 4.560 4.143) 6.477 9.378 ( -4.494 4.149 -1.472) 6.292 9.484 ( 4.117 -3.984 1.852) 6.021 9.509 ( -4.418 1.539 -3.557) 5.877 9.575 ( -3.767 -1.527 -0.830) 4.149 9.628 ( -0.125 2.781 0.147) 2.788 9.734 ( -1.013 -5.134 -3.126) 6.096 9.759 ( -1.758 -1.366 5.241) 5.694 9.834 ( -1.422 -1.005 -3.522) 3.929 10.009 ( -1.630 3.875 2.115) 4.706 10.078 ( -4.670 -1.009 -3.662) 6.020 10.179 ( 0.247 0.082 0.649) 0.699 10.301 ( 1.497 -2.229 -1.178) 2.932 10.326 ( -3.306 3.508 -5.236) 7.117 10.390 ( 0.306 -6.868 -2.838) 7.437 10.472 ( 5.339 -1.607 -2.063) 5.945 10.540 ( 1.491 -1.847 -4.572) 5.152 10.672 ( 5.814 -3.018 0.294) 6.557 10.809 ( -1.792 -2.273 1.773) 3.394 10.817 ( -1.657 -1.322 -2.928) 3.615 10.926 ( -2.069 -6.574 4.826) 8.413 11.018 ( -3.148 1.247 -4.890) 5.948 11.049 ( 1.287 0.209 4.007) 4.214 11.073 ( 3.380 8.473 -3.941) 9.938 11.222 ( 2.306 -6.549 -8.094) 10.664 11.361 ( -2.734 10.545 5.390) 12.154 11.371 ( -3.721 3.847 -0.619) 5.388 11.420 ( 5.382 3.919 1.987) 6.947 11.510 ( 2.277 -0.764 -0.235) 2.413 11.521 ( 3.544 -3.837 2.392) 5.745 11.542 ( 4.499 -1.037 1.927) 5.003 11.657 ( -4.541 -0.489 4.705) 6.557 11.692 ( -3.046 4.361 3.968) 6.637 11.737 ( -1.155 -4.904 4.854) 6.996 11.831 ( -2.859 0.028 3.630) 4.621 12.013 ( -1.106 1.818 -3.522) 4.115 12.027 ( 2.789 -3.613 -2.173) 5.055 12.067 ( -2.569 -5.188 4.336) 7.233 12.112 ( 1.909 -2.076 1.069) 3.016 12.207 ( -0.409 -0.894 -1.393) 1.706 12.244 ( 1.103 -4.545 3.890) 6.083 12.314 ( 2.301 -5.988 -0.781) 6.462 12.487 ( 0.433 -3.453 3.462) 4.909 12.608 ( -0.227 -1.552 1.635) 2.266 12.646 ( -0.234 -9.152 -2.133) 9.400 12.752 ( -4.320 -2.287 0.023) 4.889 12.828 ( 2.592 3.340 -1.669) 4.545 12.920 ( 1.437 -0.074 0.028) 1.439 12.950 ( 0.775 -2.867 1.103) 3.168 13.033 ( -4.267 -4.710 -10.391) 12.181 13.179 ( 3.159 -5.898 3.058) 7.356 13.267 ( -1.645 -0.498 -0.935) 1.957 13.294 ( -5.134 -10.333 -1.243) 11.605 13.369 ( 7.349 -5.755 -0.198) 9.336 13.476 ( 5.193 2.777 0.934) 5.963 13.562 ( -1.637 -2.648 0.209) 3.120 13.741 ( -2.016 -1.407 -0.207) 2.467 13.773 ( 0.596 -2.432 -4.110) 4.813 13.888 ( 1.288 -2.320 0.104) 2.655 14.009 ( -0.555 -7.042 -0.794) 7.108 14.081 ( -2.555 -5.632 2.089) 6.527 14.226 ( -4.566 -2.702 7.548) 9.226 14.513 ( 1.084 1.977 1.764) 2.863 14.599 ( -6.043 0.894 -3.316) 6.951 14.694 ( 2.826 0.547 -2.616) 3.890 14.844 ( -1.999 -4.136 -0.238) 4.600 14.969 ( -2.674 0.940 0.268) 2.848 15.190 ( 8.748 3.172 -1.592) 9.441 15.255 ( 2.190 1.393 -3.277) 4.181 15.348 ( 4.868 -0.808 -2.774) 5.661 15.493 ( -0.301 5.413 4.633) 7.131 15.668 ( -3.134 -2.429 1.992) 4.437 15.788 ( -1.171 -8.603 -0.892) 8.728 15.871 ( -3.163 -0.841 5.024) 5.996 15.932 ( -2.033 0.742 -9.137) 9.390 16.162 ( -0.979 3.908 3.178) 5.131 16.315 ( -2.050 8.551 3.099) 9.323 16.395 ( -0.516 -3.568 8.257) 9.010 16.584 ( 3.448 1.255 -1.853) 4.111 16.629 ( -4.206 -0.861 4.918) 6.528 16.750 ( -1.622 -2.375 -2.864) 4.058 16.877 ( 4.623 -4.915 3.426) 7.567 16.950 ( -2.834 -1.553 -3.066) 4.455 17.056 ( -1.770 0.229 -0.576) 1.875 17.140 ( -3.735 1.520 2.354) 4.669 17.206 ( 0.174 4.834 0.393) 4.853 17.338 ( 1.597 4.046 -5.405) 6.938 17.499 ( 1.720 6.480 -4.060) 7.838 17.678 ( -1.809 -0.426 1.326) 2.283 17.921 ( 0.516 0.289 -5.843) 5.873 18.551 ( 4.721 6.082 3.237) 8.352 18.703 ( -0.285 8.253 -1.696) 8.431 19.144 ( -3.650 -5.271 3.985) 7.549 19.441 ( -0.880 0.214 1.042) 1.380 19.447 ( 12.624 -16.891 -2.414) 21.225 19.502 ( -0.609 -4.202 -0.753) 4.313 21.786 ( 0.029 0.461 -1.035) 1.133 22.102 ( 0.384 4.173 0.222) 4.196 22.499 ( -0.790 -4.518 3.926) 6.037 23.129 ( 2.152 -13.065 -5.095) 14.187 23.743 ( -0.699 -3.005 2.148) 3.760 23.848 ( -0.789 -1.622 1.437) 2.306 24.246 ( -0.400 7.997 1.352) 8.120 24.314 ( 0.264 0.897 -0.490) 1.056 24.597 ( -0.042 6.938 0.767) 6.980 24.799 ( 1.956 1.358 -5.554) 6.043 24.909 ( -0.609 -0.005 0.071) 0.613 24.955 ( 1.143 -1.539 -1.139) 2.230 25.043 ( -1.445 1.283 0.375) 1.968 25.277 ( 0.083 10.553 5.600) 11.947 25.532 ( -2.107 -3.713 -1.121) 4.414 25.883 ( -1.201 1.228 -0.302) 1.744 ======================= Grid point 58 (29/65) ======================= q-point: (-0.40 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.204 ( -21.684 29.316 7.377) 37.203 2.430 ( -26.889 22.137 1.525) 34.863 3.331 ( 18.704 20.028 16.630) 32.055 3.620 ( 15.109 15.099 3.295) 21.612 3.734 ( 13.270 11.227 -6.094) 18.419 3.912 ( -5.394 11.837 -11.460) 17.336 4.051 ( -16.299 23.560 -7.880) 29.712 4.203 ( -6.615 8.000 -7.840) 13.009 4.286 ( -0.439 13.631 -9.750) 16.765 4.606 ( -4.028 -3.110 -3.591) 6.228 4.670 ( -1.575 -4.253 1.300) 4.718 4.757 ( 1.684 -3.361 0.327) 3.773 4.899 ( -13.367 2.114 9.266) 16.402 4.936 ( -0.345 8.420 3.447) 9.105 5.085 ( 2.125 -6.298 -6.215) 9.100 5.202 ( 5.974 9.079 7.356) 13.123 5.240 ( 2.428 2.579 -7.117) 7.949 5.367 ( 2.654 -3.138 -2.966) 5.068 5.493 ( 2.209 7.001 2.218) 7.669 5.664 ( 6.331 -6.814 -2.368) 9.598 5.766 ( 0.463 -3.923 -2.327) 4.585 5.908 ( 1.263 7.696 1.996) 8.051 6.162 ( 3.160 3.686 1.788) 5.174 6.211 ( -4.780 2.682 -5.791) 7.973 6.273 ( -6.000 6.354 0.568) 8.757 6.316 ( 1.864 6.536 -4.206) 7.993 6.383 ( -5.299 -0.461 0.115) 5.320 6.527 ( -2.973 1.901 -2.901) 4.568 6.674 ( -0.408 -0.147 -1.706) 1.760 6.722 ( 0.444 4.397 0.024) 4.419 6.826 ( 0.388 1.993 5.642) 5.996 6.926 ( 2.977 5.611 5.760) 8.574 6.965 ( 2.380 4.766 -1.701) 5.593 7.066 ( 2.435 6.133 0.920) 6.662 7.238 ( 9.216 10.944 -0.705) 14.325 7.345 ( -0.197 7.803 0.594) 7.828 7.375 ( 7.173 0.861 7.397) 10.340 7.474 ( -1.011 4.332 6.712) 8.052 7.566 ( 2.067 8.342 10.114) 13.272 7.643 ( -2.648 2.562 6.941) 7.859 7.693 ( -8.336 14.712 4.902) 17.606 7.811 ( 7.807 7.994 6.041) 12.702 8.021 ( 1.838 -6.462 -8.915) 11.163 8.072 ( 3.086 -2.167 -1.252) 3.973 8.116 ( 7.873 0.059 -2.966) 8.413 8.155 ( 2.916 0.908 -1.585) 3.441 8.396 ( -1.243 0.564 1.106) 1.757 8.498 ( 4.339 3.194 -7.612) 9.326 8.538 ( -1.992 5.474 0.997) 5.910 8.649 ( 6.571 -1.291 1.541) 6.872 8.855 ( 2.346 4.864 1.727) 5.670 8.936 ( -2.077 -3.514 -2.110) 4.595 9.044 ( -3.306 3.606 -5.698) 7.510 9.241 ( -10.663 -3.028 -0.719) 11.108 9.287 ( -5.046 0.034 3.725) 6.273 9.412 ( -1.154 1.978 -2.918) 3.709 9.489 ( -10.137 -3.330 -2.358) 10.927 9.506 ( -3.776 -4.714 0.092) 6.040 9.542 ( 0.843 2.127 -7.443) 7.786 9.649 ( -1.418 -0.787 1.203) 2.019 9.697 ( -4.897 1.813 -3.510) 6.292 9.815 ( 2.872 5.359 -1.093) 6.177 9.938 ( -1.418 -1.008 -0.807) 1.918 9.984 ( -0.088 -1.144 -1.067) 1.567 10.167 ( -3.287 2.545 -4.169) 5.888 10.211 ( -1.384 -0.453 4.461) 4.693 10.331 ( 1.049 0.283 -4.869) 4.989 10.481 ( 4.858 -2.757 -0.586) 5.617 10.550 ( 3.065 -4.899 -3.964) 7.008 10.583 ( 1.216 -6.030 -3.883) 7.275 10.714 ( 4.048 -4.116 -0.920) 5.846 10.774 ( 1.900 0.648 0.029) 2.007 10.858 ( -1.261 1.764 -1.184) 2.471 10.924 ( 0.464 -3.010 8.437) 8.970 10.955 ( -2.431 0.672 -2.222) 3.362 11.051 ( 2.110 -0.189 -2.388) 3.192 11.103 ( 2.337 2.233 -4.557) 5.588 11.191 ( -5.719 -1.374 0.824) 5.940 11.286 ( -0.965 0.570 1.458) 1.839 11.362 ( -4.395 3.935 4.027) 7.143 11.469 ( -1.958 0.755 1.510) 2.585 11.535 ( 2.568 -0.158 -3.031) 3.976 11.591 ( 2.467 -2.272 -0.137) 3.356 11.666 ( 7.144 -1.554 0.557) 7.332 11.685 ( -1.081 -0.884 7.789) 7.914 11.726 ( -0.186 0.116 4.461) 4.467 11.749 ( 2.198 3.546 2.359) 4.793 11.827 ( 0.055 1.794 1.683) 2.460 11.958 ( 0.056 -3.475 -1.214) 3.682 12.035 ( -5.369 -1.672 8.520) 10.208 12.083 ( 5.194 -0.666 -3.158) 6.115 12.211 ( 0.795 -8.543 3.426) 9.239 12.227 ( 4.222 -5.173 5.208) 8.468 12.280 ( 0.791 -2.183 -0.553) 2.387 12.339 ( -2.091 -4.620 0.323) 5.082 12.508 ( -0.238 -4.755 2.529) 5.392 12.568 ( -2.527 -9.104 -2.843) 9.867 12.636 ( 0.381 1.224 -3.258) 3.501 12.682 ( -2.406 -4.030 4.840) 6.742 12.796 ( -5.182 0.471 -8.647) 10.092 12.822 ( -3.310 -2.066 -7.422) 8.385 12.894 ( -3.863 -1.896 -2.277) 4.868 12.991 ( 1.127 -0.114 0.792) 1.382 13.163 ( -5.397 -0.147 5.097) 7.425 13.214 ( -1.600 -0.411 2.651) 3.123 13.283 ( 4.151 -4.223 -5.661) 8.192 13.438 ( 1.741 -4.030 -0.500) 4.418 13.532 ( 0.191 -6.611 2.320) 7.009 13.624 ( 3.865 -0.716 -3.419) 5.210 13.728 ( -0.696 -1.157 1.718) 2.185 13.792 ( 3.340 0.823 -3.946) 5.235 13.925 ( 2.774 -8.307 -1.632) 8.908 14.020 ( 2.543 -4.673 2.506) 5.881 14.066 ( -1.844 -6.391 0.982) 6.724 14.152 ( -5.590 -2.165 7.170) 9.346 14.415 ( -4.566 -0.305 -2.654) 5.290 14.574 ( 1.325 3.691 0.626) 3.971 14.682 ( -0.975 0.225 -1.206) 1.567 14.803 ( -1.257 -1.580 -4.192) 4.653 15.001 ( 2.942 -2.531 2.571) 4.655 15.177 ( -1.423 3.167 -6.686) 7.533 15.278 ( -7.518 3.630 -0.759) 8.383 15.412 ( 5.447 1.142 1.789) 5.845 15.585 ( 2.119 1.371 -2.623) 3.640 15.655 ( 2.929 1.103 8.761) 9.303 15.779 ( 1.181 -11.723 -2.091) 11.966 15.846 ( 0.303 -4.247 -4.735) 6.368 15.906 ( 3.530 0.479 3.332) 4.878 16.164 ( -0.845 3.955 1.523) 4.322 16.376 ( 1.460 5.974 3.333) 6.995 16.426 ( 1.544 5.623 8.708) 10.480 16.567 ( -5.757 0.395 -1.073) 5.870 16.645 ( 0.728 0.866 5.057) 5.182 16.734 ( 4.528 -3.686 -0.657) 5.876 16.851 ( -3.611 -0.783 -3.097) 4.821 16.962 ( -0.028 -0.574 -3.081) 3.134 17.044 ( 2.769 0.452 1.786) 3.326 17.100 ( -0.983 1.948 0.049) 2.182 17.210 ( 0.231 1.394 0.041) 1.414 17.381 ( 4.751 0.297 -1.308) 4.937 17.479 ( -0.835 5.715 -3.393) 6.698 17.628 ( -2.283 2.384 -4.397) 5.498 17.888 ( 0.194 -1.253 -3.150) 3.395 18.502 ( -7.728 -1.170 -1.554) 7.969 18.802 ( 5.864 0.030 3.022) 6.597 19.057 ( -5.985 -0.027 2.204) 6.378 19.414 ( -1.484 -0.071 -0.407) 1.540 19.482 ( -0.305 -2.584 0.099) 2.604 19.659 ( 5.729 -7.605 1.150) 9.590 21.783 ( 0.542 0.771 -1.084) 1.436 22.105 ( -0.352 3.724 0.277) 3.750 22.533 ( -0.002 -5.677 5.595) 7.970 23.060 ( -3.498 -12.675 -7.653) 15.214 23.749 ( -0.526 -3.230 2.383) 4.048 23.843 ( -0.666 -1.427 1.396) 2.104 24.241 ( -0.991 8.300 1.174) 8.441 24.316 ( 0.173 0.882 -0.380) 0.976 24.601 ( -0.293 6.903 0.868) 6.964 24.785 ( 1.180 2.742 -5.560) 6.310 24.897 ( -0.511 -0.471 0.034) 0.696 24.966 ( 0.611 -2.540 -1.107) 2.838 25.012 ( -1.166 3.342 0.504) 3.575 25.371 ( 2.182 4.847 7.501) 9.193 25.525 ( 2.798 -2.485 -2.317) 4.401 25.869 ( 1.015 2.769 -0.622) 3.014 ======================= Grid point 59 (30/65) ======================= q-point: (-0.20 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( -14.208 31.777 20.743) 40.521 2.036 ( -12.761 35.872 9.355) 39.206 3.361 ( -25.979 46.300 11.488) 54.319 3.667 ( -0.126 12.899 -15.660) 20.289 3.859 ( 16.462 9.473 5.295) 19.718 3.906 ( 1.807 15.265 -9.640) 18.145 4.086 ( 6.155 6.269 1.940) 8.997 4.160 ( 14.673 8.367 -12.469) 20.995 4.325 ( 5.825 13.292 -5.657) 15.576 4.429 ( -5.158 1.312 -5.701) 7.799 4.679 ( -2.581 -1.352 2.668) 3.951 4.723 ( -6.250 0.581 3.418) 7.147 4.779 ( -4.421 -0.973 8.965) 10.043 4.855 ( -3.870 4.544 3.256) 6.799 5.025 ( -3.511 2.041 -1.596) 4.364 5.236 ( -1.193 4.019 -4.767) 6.348 5.302 ( -0.229 2.605 2.538) 3.644 5.352 ( 7.011 -1.727 0.338) 7.229 5.597 ( 0.924 4.096 1.294) 4.394 5.741 ( 1.698 2.025 -1.001) 2.826 5.926 ( -0.922 3.278 0.523) 3.446 5.987 ( 12.566 -10.190 0.007) 16.178 6.058 ( 0.162 6.197 -5.498) 8.287 6.129 ( -5.309 1.421 3.159) 6.338 6.275 ( -0.362 2.482 0.215) 2.517 6.295 ( 1.545 4.513 -0.956) 4.865 6.340 ( 2.828 7.764 1.167) 8.345 6.455 ( -1.139 3.075 -3.434) 4.748 6.618 ( -2.581 -3.404 1.384) 4.490 6.758 ( 1.960 3.759 2.883) 5.127 6.856 ( -4.193 6.011 -2.861) 7.867 6.899 ( -7.089 -1.527 6.072) 9.458 7.001 ( 4.972 12.314 -5.031) 14.201 7.194 ( -1.530 3.633 -5.883) 7.082 7.272 ( -1.883 -1.288 4.894) 5.399 7.299 ( 0.002 3.926 -3.069) 4.983 7.448 ( -2.546 6.078 3.107) 7.285 7.548 ( 0.901 0.553 4.202) 4.333 7.640 ( 8.197 -1.857 1.154) 8.484 7.675 ( 4.833 3.796 3.159) 6.910 7.810 ( -1.356 5.932 -7.091) 9.344 7.847 ( -0.999 5.567 7.386) 9.303 7.933 ( 3.556 6.423 -2.189) 7.661 8.088 ( 6.804 -4.188 -10.305) 13.040 8.243 ( -3.627 -0.764 0.221) 3.714 8.326 ( -5.700 6.314 -3.089) 9.050 8.336 ( 3.859 1.169 -1.722) 4.384 8.497 ( -5.297 2.559 -0.756) 5.932 8.547 ( 5.288 2.434 -4.037) 7.084 8.661 ( 4.918 2.131 4.964) 7.305 8.829 ( -5.317 -3.920 -3.628) 7.537 8.889 ( 3.498 4.384 -1.099) 5.716 9.057 ( 0.637 -2.649 0.767) 2.831 9.123 ( -3.519 3.478 2.999) 5.786 9.148 ( -11.229 -4.121 4.528) 12.790 9.273 ( -3.361 -1.923 5.692) 6.884 9.383 ( 4.436 5.333 -7.649) 10.326 9.424 ( -1.066 1.793 4.793) 5.228 9.614 ( 0.114 0.531 1.699) 1.783 9.637 ( 1.636 1.978 1.503) 2.974 9.698 ( 3.145 2.055 2.803) 4.687 9.825 ( -2.630 2.380 0.148) 3.550 9.911 ( 1.966 2.913 -3.642) 5.061 9.998 ( -1.807 1.479 2.986) 3.791 10.088 ( 0.114 2.813 -7.094) 7.632 10.237 ( -3.987 2.836 0.590) 4.928 10.318 ( 4.674 -1.553 4.456) 6.642 10.510 ( -0.984 -5.406 0.630) 5.531 10.541 ( 1.700 0.981 -4.422) 4.838 10.617 ( 5.483 1.296 -3.310) 6.534 10.778 ( -0.040 -6.971 -6.882) 9.796 10.795 ( -1.130 7.150 -4.531) 8.539 10.854 ( 2.550 -3.601 1.130) 4.555 10.880 ( 1.567 -1.557 2.450) 3.299 11.013 ( -3.897 5.128 5.897) 8.733 11.025 ( -4.146 1.769 2.317) 5.069 11.102 ( 3.527 -3.131 -1.346) 4.904 11.188 ( 2.081 0.352 1.112) 2.385 11.228 ( -1.778 -0.415 2.690) 3.251 11.356 ( -6.568 -2.981 -3.014) 7.818 11.385 ( 2.413 4.813 0.316) 5.393 11.487 ( -2.764 -2.689 -2.180) 4.430 11.599 ( 1.394 -4.047 -7.283) 8.448 11.700 ( -2.241 -3.034 -2.145) 4.339 11.725 ( -0.435 -1.882 1.559) 2.482 11.806 ( 0.946 0.490 1.410) 1.767 11.835 ( 2.675 -2.061 -0.652) 3.439 11.875 ( 1.160 0.966 10.921) 11.025 11.954 ( -1.311 -3.421 2.702) 4.553 12.044 ( -0.059 -4.533 5.535) 7.155 12.120 ( -3.369 -3.739 -0.293) 5.042 12.204 ( -0.165 1.972 -0.529) 2.048 12.215 ( -0.593 -5.189 -3.194) 6.122 12.251 ( -1.534 -10.195 4.584) 11.283 12.429 ( 3.825 -4.448 1.081) 5.965 12.536 ( -0.860 -2.415 1.799) 3.132 12.540 ( -1.321 -4.197 -1.773) 4.744 12.593 ( 2.133 -2.601 0.214) 3.371 12.624 ( -1.965 -5.754 -2.473) 6.564 12.677 ( -2.768 3.430 -1.194) 4.566 12.726 ( -4.671 3.007 1.220) 5.687 12.858 ( 3.470 -0.069 2.691) 4.391 12.975 ( -2.470 0.925 -2.443) 3.595 13.118 ( -3.709 2.924 3.666) 5.978 13.218 ( 0.221 1.740 0.173) 1.762 13.319 ( 3.720 -4.994 -5.795) 8.507 13.414 ( -2.762 -5.620 -1.679) 6.483 13.583 ( 2.883 -5.231 2.905) 6.642 13.624 ( -0.178 -6.230 -4.651) 7.777 13.724 ( -0.090 -1.839 -0.084) 1.843 13.847 ( 3.378 1.086 0.575) 3.594 13.972 ( -3.867 -7.534 4.485) 9.583 13.975 ( 2.621 -12.199 -3.524) 12.965 14.095 ( 0.794 -3.366 1.954) 3.972 14.199 ( 3.139 -2.502 -0.367) 4.031 14.386 ( 2.820 0.781 1.889) 3.483 14.582 ( -0.841 -0.834 -0.875) 1.472 14.682 ( -0.753 0.705 2.200) 2.430 14.769 ( 1.542 4.114 -1.129) 4.536 14.940 ( -9.132 2.702 2.032) 9.737 15.080 ( -4.981 -0.225 0.453) 5.007 15.181 ( 3.291 -3.322 -9.630) 10.705 15.481 ( -4.626 -2.404 -4.479) 6.873 15.554 ( 4.462 1.016 2.266) 5.106 15.742 ( 0.637 -9.972 -7.047) 12.227 15.815 ( 4.880 -3.825 1.720) 6.435 15.991 ( 10.666 0.333 6.328) 12.406 16.034 ( 3.680 1.529 3.137) 5.071 16.164 ( 0.261 3.854 3.478) 5.198 16.376 ( -3.063 3.983 -0.724) 5.077 16.437 ( -3.747 -0.228 0.867) 3.852 16.557 ( 3.766 6.435 4.298) 8.606 16.683 ( -6.211 -1.449 -3.897) 7.474 16.725 ( 0.977 0.598 3.670) 3.845 16.892 ( 3.724 3.720 7.025) 8.778 16.970 ( 3.579 -0.950 -3.657) 5.204 17.108 ( 2.731 5.153 0.128) 5.834 17.121 ( 4.120 -0.257 1.854) 4.526 17.207 ( -0.386 -0.940 -1.992) 2.236 17.369 ( -6.784 -0.543 -0.690) 6.841 17.498 ( 3.904 2.766 -7.023) 8.498 17.570 ( 4.332 2.993 -1.338) 5.433 17.880 ( -0.146 -2.493 0.324) 2.518 18.350 ( -3.844 -6.570 -2.335) 7.962 18.749 ( -12.551 16.225 7.157) 21.725 19.095 ( 8.150 -18.027 -4.160) 20.216 19.340 ( -5.891 -0.291 -0.624) 5.932 19.488 ( 0.024 -0.686 0.477) 0.836 19.658 ( -5.405 1.658 -0.686) 5.695 21.791 ( 1.003 1.172 -1.058) 1.871 22.091 ( -1.139 3.419 0.295) 3.616 22.561 ( -1.564 -6.149 4.893) 8.013 22.927 ( -2.638 -8.979 -5.012) 10.615 23.754 ( -0.731 -3.392 2.026) 4.018 23.844 ( -0.424 -1.349 1.657) 2.178 24.231 ( -0.841 8.295 1.377) 8.450 24.314 ( 0.010 0.138 -0.369) 0.394 24.599 ( -0.502 6.717 0.735) 6.776 24.770 ( 1.567 1.803 -5.337) 5.847 24.894 ( 0.089 -0.205 0.532) 0.578 24.958 ( -0.737 -3.475 0.191) 3.558 25.013 ( 1.003 4.091 -0.714) 4.273 25.406 ( -2.246 0.061 2.473) 3.341 25.613 ( 5.942 -1.570 -1.533) 6.334 25.928 ( 3.631 3.503 0.729) 5.098 ======================= Grid point 60 (31/65) ======================= q-point: ( 0.00 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.688 ( 1.842 32.749 21.034) 38.966 2.771 ( 2.024 30.808 6.732) 31.600 3.724 ( 3.848 7.459 -9.688) 12.818 3.842 ( -2.039 -10.788 -5.699) 12.370 4.071 ( -5.424 8.420 0.646) 10.037 4.177 ( -9.062 8.949 -2.274) 12.937 4.212 ( 0.046 24.235 5.738) 24.905 4.390 ( 6.778 0.598 -12.524) 14.253 4.481 ( 4.208 0.058 0.347) 4.223 4.561 ( -3.961 3.756 -9.097) 10.609 4.625 ( 8.473 2.231 4.575) 9.884 4.743 ( 6.951 3.197 1.389) 7.777 4.840 ( 1.289 2.535 5.469) 6.165 4.891 ( 2.691 1.843 4.115) 5.251 5.205 ( 0.744 0.775 -4.284) 4.416 5.272 ( 1.730 4.879 -2.936) 5.951 5.477 ( -2.780 3.724 2.105) 5.102 5.565 ( -0.692 7.993 3.909) 8.924 5.650 ( 3.823 4.793 7.445) 9.645 5.681 ( -1.415 -3.110 -1.481) 3.724 5.909 ( 0.217 2.544 1.503) 2.963 5.965 ( 6.892 -9.767 2.088) 12.135 6.043 ( 1.324 -7.111 -0.603) 7.259 6.206 ( -2.319 3.517 2.014) 4.669 6.296 ( 2.949 -2.273 1.365) 3.966 6.428 ( 6.085 -2.822 -4.618) 8.144 6.508 ( -2.934 3.159 0.417) 4.332 6.570 ( -1.973 0.982 8.843) 9.114 6.646 ( -2.801 6.564 0.626) 7.164 6.706 ( -1.766 12.514 -2.261) 12.839 6.854 ( -5.690 0.919 1.413) 5.934 6.933 ( -6.800 2.624 -0.521) 7.307 7.068 ( 2.852 0.785 -5.346) 6.110 7.188 ( 3.047 2.702 -4.759) 6.264 7.208 ( -5.077 2.130 -6.615) 8.607 7.329 ( -2.058 4.114 -5.394) 7.089 7.428 ( -6.656 11.102 2.442) 13.172 7.536 ( 4.908 -7.758 -0.981) 9.232 7.630 ( -2.547 1.343 -1.843) 3.419 7.707 ( -4.266 -5.570 -3.284) 7.746 7.831 ( 5.822 7.043 -1.887) 9.331 7.867 ( -3.518 4.814 -8.209) 10.145 8.044 ( -7.858 -2.947 -3.957) 9.278 8.070 ( -0.997 -1.821 -5.301) 5.693 8.151 ( -2.821 6.374 -6.379) 9.449 8.341 ( -2.890 4.500 1.662) 5.600 8.444 ( 0.005 7.109 8.061) 10.749 8.530 ( -2.451 1.706 -5.099) 5.909 8.617 ( -3.184 -3.053 -5.441) 7.005 8.675 ( 3.892 -2.078 4.133) 6.046 8.858 ( -1.790 0.312 3.880) 4.285 8.978 ( -0.520 8.295 6.313) 10.437 9.097 ( -1.882 4.447 7.888) 9.249 9.162 ( 1.179 -0.381 9.787) 9.865 9.227 ( 8.453 5.237 7.793) 12.633 9.363 ( 1.233 2.594 6.066) 6.711 9.450 ( -1.284 -0.648 4.202) 4.441 9.547 ( 2.788 1.687 1.138) 3.452 9.659 ( -0.157 -2.057 5.546) 5.918 9.740 ( -0.307 5.391 -2.073) 5.784 9.796 ( 5.535 -0.326 3.302) 6.454 9.886 ( 0.975 5.027 -1.986) 5.492 9.970 ( -0.687 -0.544 1.588) 1.814 9.999 ( 1.001 -1.100 -1.407) 2.047 10.127 ( 6.465 4.089 -0.616) 7.674 10.233 ( -4.200 0.041 0.179) 4.204 10.380 ( 2.942 -7.359 3.074) 8.501 10.460 ( 3.409 4.387 0.553) 5.583 10.528 ( -1.734 -12.581 -3.813) 13.260 10.633 ( 1.738 -2.125 -5.108) 5.799 10.736 ( 2.871 2.952 -3.283) 5.266 10.758 ( 6.775 -4.639 -5.610) 9.944 10.859 ( -0.237 -0.389 -2.727) 2.764 10.941 ( 2.933 0.122 -3.972) 4.939 10.987 ( -8.609 4.629 1.273) 9.857 11.041 ( 4.400 2.135 2.539) 5.510 11.095 ( -2.386 1.590 -2.464) 3.781 11.163 ( -4.033 -2.982 -2.492) 5.601 11.232 ( 6.057 0.637 -4.947) 7.847 11.312 ( 1.358 5.145 -1.724) 5.593 11.387 ( -2.257 -5.718 2.926) 6.809 11.426 ( 2.195 -5.487 -4.442) 7.393 11.495 ( 2.632 -4.665 -1.305) 5.513 11.592 ( 1.240 -5.806 -1.138) 6.045 11.622 ( -3.341 4.811 4.515) 7.396 11.723 ( -1.316 0.390 -6.334) 6.481 11.830 ( 0.535 -7.407 0.804) 7.469 11.882 ( -2.289 -1.147 7.784) 8.194 11.924 ( -0.316 0.212 -0.199) 0.429 11.976 ( -2.552 1.313 4.758) 5.557 12.024 ( -3.036 -4.223 1.002) 5.297 12.117 ( -0.084 -4.799 7.202) 8.655 12.165 ( 0.500 1.818 0.842) 2.065 12.225 ( -10.073 3.099 1.393) 10.630 12.323 ( 1.939 -7.320 0.913) 7.627 12.395 ( -5.512 -1.512 -1.681) 5.958 12.499 ( -0.988 -5.082 2.471) 5.736 12.543 ( 3.427 0.758 3.576) 5.011 12.681 ( 4.020 2.432 1.544) 4.945 12.726 ( 1.040 3.705 -2.545) 4.614 12.872 ( 4.283 0.178 2.219) 4.827 12.893 ( -1.065 -0.100 -1.167) 1.583 12.953 ( 2.618 1.132 -5.129) 5.869 13.067 ( -4.812 -0.388 -0.834) 4.899 13.141 ( 0.067 -9.224 1.048) 9.283 13.212 ( -0.200 -1.312 2.831) 3.126 13.295 ( 1.521 -5.599 -4.699) 7.466 13.414 ( -0.256 -1.310 -8.545) 8.649 13.543 ( 2.182 -4.618 -2.835) 5.842 13.714 ( -2.619 -4.542 2.690) 5.893 13.757 ( 0.259 -0.385 4.609) 4.632 13.835 ( -0.018 -4.225 1.316) 4.425 14.005 ( 0.609 0.925 0.346) 1.161 14.059 ( 0.265 -2.563 3.888) 4.665 14.132 ( -1.460 -3.351 -2.288) 4.312 14.459 ( 2.411 -2.283 -0.638) 3.381 14.536 ( 6.050 -0.879 -4.402) 7.534 14.643 ( -5.647 0.013 3.658) 6.728 14.827 ( -0.948 1.762 0.088) 2.003 14.944 ( -6.024 1.617 -1.928) 6.528 15.058 ( 7.529 2.402 7.301) 10.759 15.110 ( 2.304 -3.939 -4.347) 6.302 15.302 ( 0.685 -4.060 -6.041) 7.310 15.487 ( 0.041 -7.014 -4.676) 8.430 15.654 ( 2.409 0.785 -0.433) 2.571 15.869 ( 3.483 -2.043 -2.500) 4.750 16.094 ( -6.384 2.578 -1.489) 7.044 16.212 ( -1.156 3.126 2.838) 4.377 16.263 ( -9.969 2.715 6.961) 12.458 16.276 ( 1.829 -0.323 4.665) 5.021 16.434 ( 6.340 0.619 -0.476) 6.388 16.558 ( -4.612 1.556 1.876) 5.217 16.699 ( -0.777 -2.629 0.925) 2.894 16.770 ( -0.665 6.762 -2.652) 7.294 16.899 ( -2.360 -2.133 -2.069) 3.795 16.977 ( 1.112 -1.349 2.527) 3.073 17.078 ( -1.147 -1.492 -1.016) 2.139 17.228 ( -1.969 0.644 -0.124) 2.075 17.346 ( -0.575 7.469 2.385) 7.862 17.406 ( 5.095 5.903 3.572) 8.577 17.524 ( 1.501 -2.841 0.338) 3.231 17.709 ( -1.773 -1.599 1.576) 2.861 17.932 ( 6.851 7.735 -2.826) 10.712 18.279 ( 10.742 -5.160 1.652) 12.031 18.663 ( 1.109 -12.372 -8.263) 14.919 18.952 ( -3.330 2.718 3.243) 5.384 19.209 ( -7.870 1.521 -1.192) 8.104 19.486 ( -1.230 0.635 -0.520) 1.479 19.563 ( -4.255 0.147 -3.614) 5.585 21.825 ( 0.307 0.995 -0.959) 1.415 22.171 ( 0.456 4.837 0.911) 4.943 22.437 ( -0.925 -5.118 1.494) 5.411 22.781 ( 1.692 -5.767 2.127) 6.375 23.700 ( -0.351 -1.643 0.483) 1.748 23.825 ( -0.090 -0.821 0.470) 0.951 24.317 ( -0.229 0.479 0.743) 0.914 24.397 ( 0.151 7.715 -0.475) 7.731 24.696 ( -0.288 2.647 0.718) 2.758 24.742 ( 1.097 -2.317 -3.692) 4.495 24.862 ( -0.365 -4.076 1.057) 4.227 24.950 ( 0.303 3.109 0.952) 3.266 25.068 ( 1.217 0.584 -3.548) 3.796 25.411 ( -1.154 2.325 2.780) 3.804 25.629 ( 0.424 -2.106 -0.918) 2.336 26.011 ( -0.870 2.347 -0.603) 2.575 ======================= Grid point 61 (32/65) ======================= q-point: ( 0.20 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.937 ( 7.942 27.880 10.809) 30.939 2.983 ( 8.774 26.318 19.435) 33.873 3.693 ( -6.725 13.438 -11.345) 18.829 3.756 ( -8.913 13.745 -7.560) 18.042 3.824 ( 4.500 -3.921 -5.749) 8.287 4.041 ( -8.870 2.721 -2.319) 9.563 4.282 ( -6.925 -0.309 -0.655) 6.962 4.372 ( 5.988 8.601 3.576) 11.073 4.487 ( 4.682 4.605 -9.462) 11.518 4.561 ( 3.014 0.649 4.892) 5.783 4.742 ( 1.679 -0.502 -5.690) 5.953 4.769 ( -0.458 3.042 1.781) 3.554 4.921 ( -1.782 1.021 3.387) 3.961 4.999 ( 5.840 5.626 7.008) 10.718 5.211 ( 1.969 0.485 1.734) 2.668 5.298 ( 1.872 0.768 -6.790) 7.085 5.389 ( -3.227 -1.779 -5.585) 6.692 5.536 ( -6.236 6.661 2.988) 9.602 5.607 ( -6.092 2.480 -2.877) 7.179 5.740 ( 0.428 1.940 2.653) 3.315 5.962 ( 3.507 3.227 -5.057) 6.949 5.988 ( -5.632 3.497 8.866) 11.071 6.103 ( 0.640 -2.668 1.685) 3.220 6.215 ( 2.888 -4.941 -3.346) 6.630 6.355 ( 1.131 -0.516 4.337) 4.512 6.398 ( -1.556 -0.618 0.256) 1.693 6.518 ( -6.250 -2.222 6.233) 9.102 6.618 ( 6.689 0.261 7.107) 9.763 6.699 ( 5.647 2.374 -6.518) 8.945 6.744 ( 2.336 4.524 4.672) 6.910 6.796 ( 5.756 6.425 2.786) 9.065 6.908 ( 2.610 11.160 0.973) 11.503 7.001 ( -1.716 1.029 -7.266) 7.537 7.065 ( -1.003 3.336 -6.706) 7.557 7.189 ( -1.546 3.902 -5.063) 6.577 7.318 ( -1.349 12.102 0.355) 12.182 7.324 ( -2.559 1.481 -11.488) 11.862 7.526 ( -2.291 5.362 -1.639) 6.056 7.590 ( -1.086 -5.578 -6.293) 8.480 7.651 ( 4.496 -2.613 3.535) 6.288 7.798 ( -0.335 4.359 -0.485) 4.399 7.826 ( 0.491 4.851 3.781) 6.170 8.007 ( -1.592 5.902 3.926) 7.265 8.049 ( 6.692 -2.686 -1.341) 7.334 8.155 ( 2.624 7.359 -1.897) 8.040 8.313 ( -3.440 6.183 2.399) 7.471 8.422 ( -4.713 8.848 -2.307) 10.287 8.485 ( 3.019 2.772 -4.013) 5.736 8.576 ( 3.324 -2.741 -2.522) 4.992 8.695 ( -1.811 -1.146 1.782) 2.787 8.888 ( -0.513 -0.822 5.276) 5.364 8.963 ( -4.737 1.128 1.464) 5.085 9.044 ( -7.907 -0.473 7.705) 11.050 9.219 ( 2.987 -2.154 4.427) 5.758 9.368 ( -1.610 -2.419 5.029) 5.808 9.465 ( 1.729 -3.078 3.908) 5.267 9.522 ( -0.198 2.419 2.488) 3.475 9.597 ( -1.022 -0.780 1.034) 1.650 9.656 ( 8.205 1.983 0.902) 8.489 9.775 ( -1.381 1.812 4.391) 4.947 9.851 ( -2.727 10.117 -6.430) 12.294 9.907 ( -2.695 -0.619 -0.190) 2.771 9.981 ( -2.903 -5.452 4.633) 7.721 10.001 ( 3.879 2.340 4.281) 6.233 10.145 ( 0.605 1.137 2.206) 2.554 10.235 ( -0.480 -1.978 0.156) 2.042 10.410 ( -0.117 -5.921 -3.978) 7.134 10.469 ( 0.489 -6.955 -2.964) 7.576 10.494 ( -2.208 -1.024 -5.350) 5.878 10.576 ( -3.055 -2.656 0.331) 4.062 10.613 ( -2.343 9.452 -12.296) 15.685 10.775 ( -4.361 -0.951 4.144) 6.091 10.818 ( -0.955 0.616 2.028) 2.325 10.908 ( -3.005 1.661 -0.484) 3.467 10.991 ( -0.254 -3.377 -3.350) 4.764 11.073 ( 2.871 3.585 -2.935) 5.450 11.128 ( 6.636 -1.532 -3.903) 7.849 11.196 ( 5.769 -1.903 2.777) 6.679 11.277 ( -0.788 3.924 -2.488) 4.712 11.346 ( -0.167 -3.215 -0.941) 3.354 11.384 ( 9.593 3.081 -5.058) 11.274 11.439 ( 1.167 -4.244 -1.709) 4.722 11.507 ( -2.804 -1.211 -4.648) 5.562 11.581 ( -0.653 -4.084 1.146) 4.292 11.648 ( 0.011 4.221 2.179) 4.750 11.703 ( 4.194 -7.335 -0.303) 8.455 11.816 ( -5.216 3.046 5.511) 8.176 11.860 ( -0.495 -3.585 0.204) 3.625 11.907 ( -2.921 -2.656 1.961) 4.408 11.961 ( -7.292 -2.580 3.899) 8.662 12.008 ( 0.160 -3.391 -0.283) 3.406 12.075 ( 5.072 2.287 0.041) 5.564 12.160 ( -1.036 -1.240 3.088) 3.485 12.205 ( 1.229 1.429 3.073) 3.605 12.300 ( -0.591 -2.975 -2.205) 3.750 12.381 ( 0.706 -4.188 2.462) 4.909 12.459 ( -3.379 -2.137 0.913) 4.101 12.582 ( -2.462 -1.365 4.298) 5.138 12.750 ( 1.532 1.930 4.482) 5.115 12.821 ( 3.471 -1.251 0.633) 3.744 12.890 ( 1.176 1.575 -1.615) 2.544 12.926 ( -1.102 -1.624 -4.900) 5.278 12.962 ( 5.176 -1.490 -3.254) 6.293 13.007 ( 2.666 -1.453 2.701) 4.064 13.128 ( -2.492 -9.413 -0.384) 9.744 13.217 ( -2.176 -4.467 -4.682) 6.827 13.280 ( 0.695 -0.147 1.641) 1.788 13.399 ( 3.080 -1.554 -2.375) 4.188 13.552 ( 1.076 -2.909 -3.602) 4.753 13.698 ( 0.048 -3.509 1.045) 3.662 13.791 ( -1.639 0.476 2.154) 2.748 13.828 ( -0.683 -3.885 -0.245) 3.952 13.962 ( -3.336 0.970 -0.154) 3.477 14.062 ( -4.653 -5.116 1.474) 7.070 14.087 ( 0.619 -5.739 3.389) 6.694 14.510 ( 3.380 0.101 -0.692) 3.452 14.625 ( 5.913 1.294 -7.168) 9.382 14.630 ( -0.904 -2.738 5.017) 5.787 14.845 ( -0.517 1.502 1.858) 2.445 14.913 ( 2.627 -1.527 5.943) 6.674 15.129 ( 2.779 -3.530 -5.744) 7.292 15.181 ( 3.396 2.922 -3.662) 5.786 15.327 ( 4.790 -1.128 -3.606) 6.100 15.453 ( 0.274 -7.273 -4.689) 8.658 15.684 ( 0.254 2.260 0.002) 2.274 15.853 ( -4.197 -3.834 -3.526) 6.689 15.878 ( -7.527 3.158 1.308) 8.267 16.129 ( -7.158 3.963 9.548) 12.574 16.231 ( 0.196 -1.526 4.021) 4.305 16.327 ( -1.746 5.122 -0.966) 5.497 16.451 ( -0.249 1.038 -2.113) 2.367 16.592 ( 0.388 0.287 1.822) 1.885 16.653 ( -2.553 -2.464 2.815) 4.529 16.730 ( -1.051 5.079 -0.520) 5.213 16.844 ( -1.391 1.237 0.235) 1.876 16.996 ( -2.645 -2.413 1.125) 3.753 17.058 ( -0.175 0.458 1.606) 1.679 17.173 ( -3.824 -0.935 2.497) 4.661 17.311 ( -2.129 4.074 -0.394) 4.614 17.501 ( -2.149 2.448 0.457) 3.290 17.532 ( 2.075 2.809 1.837) 3.946 17.695 ( 0.688 -0.754 0.281) 1.059 18.002 ( 3.240 7.308 -5.409) 9.652 18.554 ( 3.190 -10.607 -9.745) 14.753 18.671 ( 15.507 -0.815 2.623) 15.749 18.936 ( -3.315 -3.659 -6.705) 8.327 19.109 ( 1.491 2.611 9.024) 9.512 19.461 ( -0.790 0.119 0.331) 0.864 19.492 ( -1.229 -0.792 -1.491) 2.088 21.812 ( -0.697 0.640 -0.875) 1.288 22.195 ( 1.128 5.764 0.236) 5.878 22.425 ( -1.408 -3.994 1.724) 4.573 22.841 ( 2.318 -8.780 1.188) 9.158 23.697 ( -0.402 -1.570 0.655) 1.748 23.825 ( -0.185 -0.849 0.295) 0.918 24.322 ( 0.125 0.557 0.677) 0.885 24.402 ( 0.624 7.532 -0.466) 7.572 24.700 ( -0.063 2.995 1.056) 3.176 24.755 ( 2.867 -2.679 -3.594) 5.322 24.865 ( -0.038 -3.934 0.598) 3.980 24.956 ( -0.304 3.232 0.409) 3.272 25.069 ( 1.156 -0.046 -2.593) 2.840 25.413 ( -0.388 3.931 2.199) 4.521 25.582 ( -4.136 -1.898 -0.713) 4.607 25.965 ( -2.654 2.798 -0.047) 3.857 ======================= Grid point 62 (33/65) ======================= q-point: ( 0.40 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.152 ( -0.915 22.591 8.546) 24.171 3.162 ( -9.632 27.093 0.040) 28.754 3.441 ( 0.264 17.374 6.941) 18.711 3.632 ( 1.983 14.188 -0.591) 14.338 3.863 ( 5.659 3.261 -6.123) 8.953 3.977 ( 3.083 4.587 -6.458) 8.500 4.169 ( -3.381 -7.429 -2.328) 8.487 4.340 ( -0.272 -14.023 -3.540) 14.466 4.548 ( 2.319 -2.421 -2.609) 4.249 4.686 ( 0.487 -3.277 -8.332) 8.967 4.724 ( -1.637 7.789 -3.441) 8.671 4.795 ( 6.722 3.621 1.085) 7.712 4.912 ( 1.467 -3.178 -9.623) 10.240 5.075 ( -1.302 6.335 3.871) 7.537 5.141 ( -9.248 -4.021 -7.877) 12.796 5.268 ( 2.924 2.523 -10.567) 11.251 5.305 ( -1.967 -6.039 5.116) 8.156 5.393 ( -9.070 8.332 1.046) 12.361 5.440 ( -3.229 2.432 0.376) 4.060 5.787 ( 0.225 4.239 3.641) 5.593 5.880 ( -7.278 9.396 5.043) 12.911 6.003 ( 1.472 7.921 5.080) 9.524 6.114 ( 1.611 -1.432 -4.342) 4.848 6.173 ( -2.031 -2.587 -4.806) 5.824 6.342 ( -1.875 -0.041 -6.202) 6.479 6.446 ( 5.244 0.208 -1.462) 5.448 6.546 ( 0.175 -4.325 15.118) 15.725 6.707 ( -1.754 10.447 -0.040) 10.593 6.798 ( -0.100 4.640 1.629) 4.919 6.828 ( -6.500 5.369 -5.954) 10.321 6.834 ( 3.130 -0.728 2.522) 4.086 6.960 ( 2.690 7.217 1.862) 7.924 7.053 ( 2.796 8.367 7.099) 11.323 7.117 ( 6.200 2.147 -0.230) 6.566 7.133 ( 6.773 -0.603 -4.670) 8.249 7.213 ( 1.122 6.892 5.354) 8.800 7.418 ( 11.330 4.307 3.672) 12.665 7.481 ( 3.527 5.293 -1.695) 6.583 7.633 ( 4.051 1.017 1.601) 4.473 7.746 ( -3.361 4.357 8.141) 9.826 7.903 ( 4.067 3.478 4.465) 6.970 7.912 ( -0.027 14.959 11.086) 18.619 7.992 ( 5.023 -3.763 -3.858) 7.367 8.139 ( -10.565 12.556 2.928) 16.669 8.178 ( -0.992 9.936 2.541) 10.303 8.256 ( 8.047 9.373 4.254) 13.066 8.364 ( 0.732 3.707 -8.621) 9.413 8.512 ( 1.114 2.622 -4.303) 5.161 8.620 ( 2.755 2.036 -6.003) 6.912 8.661 ( -4.806 -0.455 0.788) 4.891 8.832 ( -2.173 -4.968 2.985) 6.190 8.917 ( -9.571 -5.343 8.249) 13.719 9.023 ( 6.948 -2.754 1.187) 7.567 9.274 ( -1.478 -11.413 3.113) 11.922 9.324 ( -3.979 -6.774 1.554) 8.008 9.420 ( -3.843 -2.419 4.446) 6.355 9.490 ( -5.499 -0.796 -4.933) 7.431 9.601 ( -6.230 7.963 -3.704) 10.768 9.694 ( -0.955 1.922 -1.844) 2.829 9.730 ( 6.162 -1.286 -3.588) 7.246 9.780 ( -1.995 2.347 0.308) 3.096 9.831 ( -2.193 3.918 -3.381) 5.621 10.013 ( 1.480 -3.143 6.420) 7.300 10.063 ( -4.760 -4.495 -2.615) 7.050 10.184 ( 0.782 0.042 -0.682) 1.039 10.197 ( -1.056 1.092 -0.513) 1.603 10.333 ( -1.462 1.916 -8.034) 8.387 10.378 ( -0.893 -6.594 -3.276) 7.417 10.423 ( 0.134 0.355 -6.509) 6.520 10.527 ( 0.830 -7.730 -2.543) 8.180 10.587 ( -0.272 3.665 -1.518) 3.976 10.716 ( -6.474 -9.097 0.338) 11.171 10.801 ( -0.064 -2.813 2.459) 3.737 10.887 ( 4.538 9.160 2.415) 10.504 10.999 ( 2.073 -0.548 -0.034) 2.144 11.081 ( -0.274 0.792 -5.992) 6.050 11.147 ( -1.711 1.451 -8.312) 8.610 11.200 ( 0.054 0.584 -11.234) 11.250 11.347 ( 3.220 -3.525 -2.055) 5.197 11.351 ( 1.843 -6.091 2.228) 6.743 11.374 ( 4.010 -8.269 2.080) 9.423 11.487 ( -1.051 -0.282 0.517) 1.205 11.539 ( 0.528 4.223 -0.403) 4.275 11.626 ( -1.175 -3.284 3.318) 4.814 11.663 ( 2.624 -0.596 3.210) 4.188 11.687 ( -0.003 2.720 1.753) 3.236 11.795 ( -3.987 9.717 5.589) 11.898 11.831 ( -0.158 -3.062 -1.470) 3.400 11.910 ( 1.298 -3.247 7.193) 7.998 11.964 ( 5.249 -1.979 1.035) 5.705 12.054 ( -0.684 0.628 2.992) 3.133 12.107 ( -2.129 -0.593 0.551) 2.278 12.192 ( 3.190 1.820 -4.685) 5.953 12.240 ( 0.440 -0.074 4.395) 4.418 12.295 ( -1.808 0.518 0.720) 2.014 12.393 ( 1.893 -3.212 0.905) 3.837 12.427 ( -1.559 -4.578 0.175) 4.839 12.565 ( -0.245 -5.337 1.513) 5.553 12.736 ( -5.854 0.176 3.445) 6.795 12.832 ( -0.947 -2.374 -2.748) 3.753 12.889 ( 1.389 -0.963 0.377) 1.731 12.927 ( 1.206 -0.785 -5.628) 5.809 12.967 ( -0.626 -0.745 -3.783) 3.907 13.073 ( 0.268 -3.694 0.665) 3.763 13.119 ( -3.300 -5.531 1.120) 6.537 13.183 ( 4.593 -8.242 3.342) 10.010 13.307 ( 1.720 0.741 -0.155) 1.879 13.492 ( 7.417 -2.959 -2.158) 8.272 13.527 ( -0.527 0.037 -4.006) 4.041 13.703 ( -3.580 -1.751 0.876) 4.081 13.733 ( 0.990 -2.353 -1.147) 2.799 13.830 ( 0.222 -1.095 2.623) 2.851 13.909 ( -2.206 -1.245 1.421) 2.905 14.006 ( -1.918 -2.647 2.464) 4.094 14.149 ( 1.099 -4.709 4.076) 6.324 14.510 ( -9.532 -1.684 3.624) 10.336 14.612 ( 3.193 0.162 -4.911) 5.860 14.691 ( 5.495 0.022 -3.132) 6.325 14.823 ( -4.276 1.455 0.491) 4.544 14.968 ( -0.958 -0.553 2.621) 2.845 15.139 ( 1.969 -5.255 -6.023) 8.232 15.280 ( 9.402 1.907 -1.800) 9.761 15.407 ( 5.651 2.296 -3.949) 7.266 15.453 ( 4.506 -6.609 -3.622) 8.780 15.653 ( -4.218 3.389 3.116) 6.244 15.710 ( -4.441 0.136 -3.001) 5.361 15.836 ( -2.471 -2.781 1.061) 3.868 16.031 ( -6.931 6.086 2.868) 9.659 16.243 ( -2.211 0.333 1.262) 2.568 16.343 ( 2.565 0.145 8.276) 8.666 16.438 ( 0.610 2.110 0.452) 2.242 16.586 ( 1.177 -1.992 0.159) 2.320 16.635 ( -3.743 1.337 8.617) 9.489 16.725 ( -0.255 4.029 -2.029) 4.518 16.858 ( 1.749 0.634 0.852) 2.046 16.909 ( -3.721 -1.926 -1.368) 4.407 17.058 ( -2.194 0.338 3.148) 3.853 17.129 ( -2.848 -1.823 3.803) 5.089 17.299 ( 0.379 2.876 1.347) 3.198 17.431 ( -1.798 2.583 -4.552) 5.534 17.563 ( -0.565 2.561 2.581) 3.680 17.723 ( 1.421 2.042 -1.782) 3.060 17.982 ( 1.053 7.071 -10.483) 12.689 18.495 ( 1.541 -10.884 -12.046) 16.308 18.705 ( -2.398 -6.729 -21.842) 22.981 19.048 ( 7.106 0.621 16.581) 18.050 19.349 ( 7.899 3.248 17.279) 19.275 19.450 ( -1.057 0.356 1.105) 1.571 19.469 ( -0.535 -1.010 -0.174) 1.156 21.795 ( -0.137 0.366 -0.628) 0.740 22.209 ( 0.315 5.996 -0.720) 6.047 22.415 ( -0.829 -3.543 2.139) 4.220 22.866 ( -0.103 -11.160 -1.606) 11.275 23.696 ( -0.260 -1.558 0.856) 1.797 23.823 ( -0.202 -0.790 0.174) 0.834 24.328 ( -0.027 0.609 0.523) 0.804 24.410 ( 0.481 7.328 -0.471) 7.359 24.707 ( -0.226 3.165 1.269) 3.417 24.789 ( 2.664 -2.136 -3.397) 4.817 24.869 ( 0.052 -4.177 0.404) 4.197 24.945 ( -0.804 3.360 -0.110) 3.456 25.072 ( 0.997 0.147 -2.445) 2.645 25.437 ( 1.421 4.126 1.648) 4.664 25.485 ( -4.198 -0.508 0.601) 4.271 25.923 ( -1.350 2.122 0.515) 2.567 ======================= Grid point 63 (34/65) ======================= q-point: (-0.40 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.840 ( -15.573 31.124 0.362) 34.805 2.959 ( -13.736 28.198 2.079) 31.434 3.703 ( 13.373 14.684 7.129) 21.101 3.876 ( 11.970 4.684 6.653) 14.474 3.956 ( -0.147 10.753 -6.943) 12.801 3.992 ( -4.235 -9.916 -1.312) 10.862 4.057 ( 12.813 -7.500 -1.077) 14.885 4.413 ( 4.128 0.049 -9.692) 10.535 4.502 ( -1.717 7.233 -9.706) 12.226 4.606 ( -3.191 2.116 -6.358) 7.422 4.654 ( -2.861 -0.040 -2.367) 3.714 4.728 ( -7.260 6.051 -4.791) 10.596 4.822 ( -1.762 -12.193 -4.110) 12.987 4.859 ( -3.597 -4.481 -13.146) 14.347 5.095 ( 0.236 1.009 4.435) 4.555 5.265 ( 1.768 1.196 -9.278) 9.521 5.309 ( -0.824 2.357 4.661) 5.288 5.455 ( 13.860 -4.648 -2.750) 14.875 5.477 ( 3.000 11.573 8.369) 14.593 5.741 ( -5.712 5.742 4.541) 9.285 5.829 ( -2.544 7.453 0.477) 7.889 6.017 ( -1.657 2.658 0.373) 3.155 6.081 ( -3.831 -4.385 -0.424) 5.838 6.188 ( 5.392 -0.263 -3.816) 6.611 6.249 ( -0.500 1.238 -6.432) 6.569 6.508 ( -4.479 0.247 0.505) 4.515 6.587 ( -8.578 3.342 -8.190) 12.322 6.633 ( -2.072 5.861 6.757) 9.182 6.678 ( 4.236 7.900 6.307) 10.961 6.805 ( 1.962 3.919 0.611) 4.425 6.834 ( -3.579 -0.724 4.099) 5.490 7.002 ( -0.088 5.292 -2.726) 5.954 7.145 ( 4.262 11.590 2.755) 12.653 7.209 ( -0.420 1.396 14.418) 14.491 7.304 ( 4.544 2.725 -2.035) 5.676 7.426 ( 6.403 -1.133 9.618) 11.610 7.560 ( -1.473 4.734 0.872) 5.034 7.617 ( -4.851 12.462 4.941) 14.256 7.690 ( 4.370 8.835 -1.346) 9.948 7.774 ( 2.982 3.097 5.251) 6.786 7.895 ( -4.557 3.016 4.040) 6.796 7.986 ( -6.089 5.701 0.881) 8.388 8.060 ( 1.881 10.368 13.226) 16.910 8.084 ( 4.860 3.322 5.651) 8.160 8.217 ( 1.489 9.066 -6.265) 11.121 8.266 ( 7.773 12.335 -0.708) 14.597 8.388 ( -1.221 0.070 2.014) 2.356 8.506 ( 2.681 -0.180 -9.995) 10.350 8.574 ( -5.467 -6.234 2.643) 8.702 8.594 ( 0.003 -0.494 4.931) 4.955 8.805 ( -2.185 -7.874 0.143) 8.173 8.885 ( 0.446 -2.787 3.536) 4.525 9.099 ( -0.720 -2.827 -5.211) 5.972 9.211 ( -6.507 -1.281 -0.378) 6.643 9.250 ( -8.091 -0.603 9.031) 12.141 9.357 ( 3.082 -4.678 1.755) 5.870 9.444 ( -3.899 2.225 -10.035) 10.994 9.477 ( 1.082 0.571 0.853) 1.491 9.630 ( -1.733 5.026 -11.314) 12.501 9.666 ( -0.701 3.755 2.391) 4.507 9.782 ( -1.322 4.573 1.406) 4.964 9.928 ( 6.422 0.664 -4.357) 7.789 9.931 ( -1.788 0.165 -4.582) 4.921 9.985 ( 0.405 0.907 -2.179) 2.395 10.135 ( -1.626 -2.185 4.315) 5.103 10.195 ( -2.565 0.849 -5.194) 5.855 10.332 ( 0.470 -3.715 -4.967) 6.221 10.376 ( 3.905 -4.896 -1.924) 6.551 10.450 ( 5.081 -4.088 -2.302) 6.916 10.490 ( 0.482 -6.161 -2.482) 6.660 10.579 ( 1.984 -7.760 -0.704) 8.040 10.636 ( 0.359 -4.471 -4.162) 6.119 10.807 ( -1.279 -3.451 1.801) 4.098 10.933 ( -1.291 -1.847 -3.552) 4.207 11.068 ( 5.698 6.611 6.260) 10.740 11.078 ( 3.687 2.126 -5.177) 6.702 11.109 ( 0.807 -0.672 -9.003) 9.065 11.123 ( 0.191 0.605 -2.478) 2.558 11.338 ( -3.049 -2.535 -2.188) 4.528 11.390 ( -2.819 -1.113 1.467) 3.367 11.422 ( 0.190 -6.556 -4.333) 7.861 11.482 ( 4.431 -5.542 -3.061) 7.728 11.545 ( -1.786 4.582 0.832) 4.987 11.601 ( 1.498 -4.103 2.305) 4.939 11.678 ( -1.160 2.785 4.350) 5.294 11.763 ( -0.011 -5.649 2.433) 6.151 11.806 ( -1.201 -2.131 5.590) 6.101 11.850 ( 2.425 2.830 1.409) 3.984 11.955 ( -1.534 6.649 4.322) 8.077 12.007 ( -5.022 0.192 4.228) 6.568 12.048 ( -3.278 -1.061 -0.487) 3.480 12.104 ( 2.082 -0.568 7.252) 7.566 12.190 ( 2.324 -0.456 -1.384) 2.743 12.253 ( -3.238 0.206 0.723) 3.324 12.301 ( 1.692 -0.868 -1.476) 2.407 12.398 ( 1.452 -3.631 1.338) 4.133 12.453 ( 2.208 -1.076 0.085) 2.458 12.572 ( -0.077 -4.445 -3.521) 5.671 12.633 ( -5.714 -1.066 4.136) 7.133 12.760 ( -1.896 -0.199 -2.210) 2.919 12.851 ( -0.791 -0.344 -1.950) 2.132 12.931 ( -2.099 -2.154 1.560) 3.389 12.946 ( -0.028 0.656 -3.785) 3.842 13.086 ( 0.543 -6.076 1.254) 6.227 13.129 ( 2.448 -5.068 3.147) 6.448 13.230 ( -0.490 -3.314 -0.490) 3.386 13.339 ( 1.272 -2.101 -1.930) 3.123 13.496 ( 1.210 1.030 -3.546) 3.886 13.569 ( 1.522 -3.923 -6.812) 8.007 13.661 ( -0.747 -3.938 1.340) 4.226 13.765 ( 0.813 -3.516 2.526) 4.405 13.865 ( 0.867 2.543 0.465) 2.727 13.952 ( 4.541 -1.853 5.629) 7.466 14.011 ( -2.601 0.101 2.113) 3.353 14.109 ( -6.353 -1.981 5.085) 8.375 14.353 ( -2.087 -4.593 -1.678) 5.317 14.626 ( -1.972 0.752 -2.719) 3.442 14.706 ( -0.899 2.779 -2.520) 3.858 14.787 ( 3.067 -0.266 -1.798) 3.565 14.966 ( -1.160 -0.911 2.667) 3.048 15.116 ( 0.915 -5.293 -6.335) 8.306 15.403 ( -10.054 5.220 0.610) 11.345 15.457 ( 5.993 2.095 -1.831) 6.608 15.499 ( 5.074 -7.088 0.185) 8.718 15.593 ( -4.116 -2.106 -5.129) 6.906 15.651 ( 3.180 -2.413 -4.624) 6.109 15.814 ( 3.911 -0.257 1.709) 4.276 15.989 ( 0.622 4.921 7.184) 8.730 16.230 ( -0.101 1.521 0.610) 1.642 16.441 ( -0.220 0.925 6.870) 6.936 16.503 ( 3.168 0.116 4.600) 5.586 16.604 ( -6.599 4.158 1.229) 7.896 16.648 ( 1.720 -1.211 3.620) 4.187 16.722 ( 4.849 2.654 5.264) 7.633 16.864 ( -0.292 1.683 -3.356) 3.766 16.919 ( 2.556 -2.152 -1.164) 3.538 17.051 ( 0.471 0.030 5.162) 5.183 17.107 ( -1.695 -1.081 3.431) 3.977 17.302 ( -0.547 5.806 -2.030) 6.175 17.401 ( 2.220 0.952 -2.768) 3.674 17.534 ( -3.718 3.189 -0.986) 4.997 17.719 ( -0.381 -0.243 0.008) 0.452 17.907 ( 1.097 6.576 -12.781) 14.416 18.356 ( -5.895 -10.319 -10.899) 16.125 18.594 ( 5.723 -12.770 -13.780) 19.640 19.195 ( -5.659 7.009 13.969) 16.621 19.420 ( -3.240 0.462 2.460) 4.095 19.451 ( 1.263 -0.251 0.945) 1.597 19.623 ( 4.372 1.123 11.317) 12.184 21.799 ( 0.875 0.644 -0.571) 1.227 22.198 ( -0.756 5.107 -0.822) 5.228 22.425 ( -0.128 -4.633 2.462) 5.248 22.817 ( -2.392 -9.843 -2.917) 10.541 23.699 ( -0.110 -1.635 0.824) 1.834 23.821 ( -0.117 -0.716 0.265) 0.772 24.327 ( -0.461 0.567 0.507) 0.889 24.411 ( -0.098 7.416 -0.477) 7.432 24.708 ( -0.661 3.029 1.153) 3.308 24.795 ( 0.476 -1.540 -3.522) 3.874 24.870 ( -0.467 -4.618 0.750) 4.702 24.930 ( -0.389 3.387 0.106) 3.411 25.072 ( 1.178 1.238 -3.145) 3.580 25.430 ( -2.244 0.933 2.546) 3.519 25.507 ( 4.038 0.531 0.176) 4.076 25.931 ( 1.791 2.651 0.686) 3.272 ======================= Grid point 64 (35/65) ======================= q-point: (-0.20 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.626 ( -8.959 34.781 12.208) 37.934 2.772 ( -6.264 33.542 3.983) 34.353 3.773 ( -2.735 2.679 -7.825) 8.711 3.916 ( 0.706 -13.015 -1.849) 13.165 4.057 ( 4.643 1.600 2.719) 5.614 4.195 ( 10.776 8.854 5.091) 14.847 4.265 ( -7.362 21.068 2.517) 22.459 4.326 ( 10.744 9.506 -11.612) 18.457 4.400 ( 3.851 -0.745 -6.731) 7.790 4.478 ( -2.223 1.837 -4.021) 4.948 4.627 ( 1.383 6.663 -0.854) 6.858 4.679 ( 1.043 -0.699 -7.245) 7.353 4.746 ( 1.132 -2.843 1.914) 3.609 4.820 ( 3.905 -5.496 -5.520) 8.714 5.197 ( 3.569 0.268 -1.452) 3.862 5.267 ( -0.323 3.938 2.439) 4.643 5.377 ( 8.296 5.317 1.302) 9.940 5.521 ( -1.259 13.672 5.393) 14.751 5.652 ( -5.374 -1.203 3.038) 6.289 5.752 ( -1.145 1.037 0.763) 1.723 5.781 ( 9.998 -6.654 -2.496) 12.266 5.972 ( -2.907 1.414 -0.874) 3.349 6.012 ( -2.181 -6.754 0.688) 7.131 6.155 ( 3.305 2.975 -5.740) 7.261 6.327 ( 4.660 -1.949 -3.223) 5.992 6.364 ( -7.819 4.200 4.241) 9.836 6.479 ( 2.821 2.869 -2.180) 4.576 6.645 ( -5.634 6.368 6.628) 10.781 6.694 ( -4.952 9.905 5.781) 12.492 6.819 ( -4.468 3.161 3.068) 6.274 6.861 ( 2.054 4.395 3.317) 5.877 7.028 ( 0.309 3.933 -3.767) 5.455 7.150 ( 4.169 -3.941 -3.254) 6.595 7.182 ( -11.873 1.334 2.538) 12.214 7.292 ( -1.524 4.606 -4.161) 6.392 7.441 ( -4.193 4.983 -0.104) 6.513 7.496 ( -1.658 -1.540 -3.279) 3.984 7.560 ( -7.899 5.799 6.061) 11.522 7.657 ( 0.933 5.878 1.547) 6.149 7.759 ( -1.279 4.877 -1.361) 5.222 7.894 ( -4.313 1.660 -4.318) 6.325 7.951 ( -1.918 5.306 -2.992) 6.386 8.043 ( 3.961 0.523 -7.248) 8.276 8.207 ( -3.142 -0.353 0.011) 3.162 8.296 ( 4.493 13.101 11.630) 18.085 8.364 ( -5.704 -0.520 -2.191) 6.132 8.395 ( -2.769 -0.387 -2.943) 4.059 8.542 ( 5.506 4.973 7.847) 10.799 8.585 ( 7.541 -1.457 3.401) 8.400 8.645 ( -3.042 -3.366 -0.296) 4.547 8.775 ( 2.980 0.792 4.079) 5.113 8.946 ( 0.397 1.961 5.980) 6.305 9.008 ( 0.971 1.133 -0.643) 1.625 9.160 ( -5.432 3.579 5.355) 8.425 9.194 ( -6.517 0.654 -2.349) 6.958 9.271 ( 0.710 2.995 5.954) 6.703 9.368 ( 2.108 -2.525 3.674) 4.931 9.525 ( 0.904 5.345 -6.001) 8.087 9.617 ( 2.266 0.054 2.459) 3.344 9.682 ( 2.587 3.241 2.304) 4.744 9.796 ( 0.468 4.298 -0.381) 4.340 9.879 ( -1.099 2.486 -1.959) 3.351 9.984 ( 6.938 1.783 -4.866) 8.660 10.026 ( -5.212 -3.350 -4.373) 7.583 10.061 ( -2.470 4.131 -3.655) 6.044 10.220 ( 7.883 -6.526 7.487) 12.680 10.298 ( 1.345 -0.628 -4.298) 4.547 10.423 ( -1.159 -0.411 2.399) 2.695 10.539 ( 3.072 -8.107 -1.546) 8.806 10.562 ( 8.224 -3.023 -7.208) 11.346 10.636 ( 4.439 -3.727 -2.659) 6.377 10.653 ( 5.441 -8.796 -1.919) 10.519 10.836 ( 4.086 -1.307 -1.107) 4.431 10.931 ( 0.380 -1.889 -1.128) 2.232 11.031 ( -3.146 4.247 -4.117) 6.700 11.093 ( 4.371 2.290 -4.193) 6.475 11.139 ( -1.101 2.932 1.622) 3.527 11.186 ( 3.383 0.008 -0.678) 3.450 11.253 ( -1.500 0.746 -4.314) 4.628 11.281 ( -3.762 -8.139 -6.282) 10.948 11.419 ( -2.106 0.245 4.307) 4.801 11.486 ( -2.307 -0.676 1.515) 2.841 11.501 ( -0.342 -2.602 -4.270) 5.012 11.601 ( -3.926 -2.838 -1.292) 5.013 11.682 ( -0.423 -0.039 -1.049) 1.132 11.749 ( -1.291 -4.739 -1.044) 5.021 11.815 ( 0.555 -3.177 2.036) 3.814 11.912 ( -5.080 -0.251 7.903) 9.399 11.941 ( -0.422 3.067 3.873) 4.959 11.955 ( -1.928 -2.631 6.328) 7.119 12.015 ( -0.189 -0.786 3.712) 3.799 12.122 ( -2.694 1.087 3.374) 4.452 12.182 ( -1.487 -1.534 -2.308) 3.145 12.249 ( 0.414 -3.821 2.655) 4.672 12.354 ( 3.349 2.223 -2.389) 4.676 12.439 ( -0.135 -1.441 5.216) 5.414 12.477 ( 0.269 -4.588 -0.572) 4.631 12.533 ( -4.897 -1.268 0.915) 5.141 12.591 ( 3.448 0.316 -0.339) 3.479 12.766 ( 1.946 3.012 2.175) 4.194 12.809 ( -6.225 0.576 0.970) 6.326 12.880 ( 3.358 1.937 -1.173) 4.050 12.955 ( 1.982 -1.180 -6.117) 6.537 13.116 ( 0.845 -7.002 1.964) 7.321 13.143 ( -3.188 -6.518 0.733) 7.293 13.232 ( 0.460 0.890 1.195) 1.559 13.306 ( -1.467 -4.256 -3.782) 5.880 13.502 ( -0.035 -3.949 -10.582) 11.295 13.516 ( 2.401 -1.888 -3.469) 4.622 13.684 ( 1.658 -1.181 2.678) 3.363 13.800 ( -2.318 -2.089 3.661) 4.810 13.827 ( -6.051 -5.983 5.584) 10.178 13.936 ( 3.760 3.264 -1.728) 5.271 14.040 ( -0.101 -2.101 3.040) 3.696 14.151 ( 1.607 -1.843 0.595) 2.516 14.371 ( 3.368 -1.058 2.081) 4.098 14.536 ( -1.463 -3.557 -5.254) 6.511 14.725 ( -0.205 3.391 0.228) 3.404 14.832 ( 3.810 1.680 1.321) 4.368 14.925 ( -5.290 -2.282 4.203) 7.131 15.094 ( 0.914 -3.826 -6.095) 7.254 15.154 ( -9.629 5.082 -1.334) 10.969 15.408 ( -6.438 -4.936 -6.829) 10.605 15.512 ( 1.513 -6.744 -4.559) 8.280 15.598 ( 3.202 0.822 0.360) 3.326 15.741 ( 9.104 -2.894 -2.148) 9.792 16.038 ( 10.804 1.779 5.461) 12.235 16.100 ( 3.121 3.750 6.803) 8.372 16.231 ( -0.385 2.556 0.427) 2.620 16.424 ( -3.336 -0.270 -1.460) 3.651 16.457 ( -9.849 3.343 6.858) 12.458 16.599 ( 2.384 -0.299 0.876) 2.557 16.686 ( -1.355 -1.448 4.516) 4.932 16.792 ( -1.111 6.754 -2.726) 7.368 16.906 ( 4.561 -3.823 0.822) 6.007 16.938 ( 1.116 -0.197 1.733) 2.070 17.081 ( 0.189 -1.202 1.152) 1.676 17.211 ( 4.543 0.808 4.861) 6.703 17.284 ( 2.033 8.361 -1.141) 8.680 17.401 ( -4.955 4.043 -2.438) 6.844 17.457 ( 3.582 -2.041 -1.523) 4.395 17.719 ( -0.575 -1.150 1.645) 2.088 17.856 ( 3.164 7.245 -8.662) 11.728 18.210 ( -0.795 -5.636 -5.544) 7.945 18.641 ( 5.832 -19.627 -7.612) 21.845 19.082 ( -10.686 9.976 6.083) 15.834 19.345 ( -5.867 0.317 2.219) 6.281 19.494 ( 0.717 1.314 0.929) 1.761 19.677 ( -4.177 -0.235 2.715) 4.988 21.815 ( 1.143 1.034 -0.877) 1.773 22.173 ( -1.022 4.336 0.078) 4.456 22.438 ( -0.380 -5.479 1.800) 5.779 22.763 ( -0.941 -6.310 -0.295) 6.386 23.702 ( -0.174 -1.690 0.582) 1.796 23.822 ( -0.041 -0.736 0.460) 0.869 24.320 ( -0.590 0.481 0.649) 1.000 24.402 ( -0.258 7.679 -0.468) 7.697 24.701 ( -0.665 2.724 0.794) 2.914 24.765 ( -0.279 -1.778 -3.679) 4.096 24.864 ( -0.728 -4.310 1.241) 4.544 24.934 ( 0.422 3.078 0.666) 3.178 25.071 ( 1.378 1.351 -3.796) 4.258 25.416 ( -1.613 0.640 3.252) 3.686 25.589 ( 3.860 -0.657 -1.118) 4.072 25.991 ( 2.721 2.273 0.398) 3.568 ======================= Grid point 65 (36/65) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.151 ( 0.756 0.000 0.980) 1.237 3.337 ( 0.414 0.000 7.618) 7.630 3.366 ( 0.713 0.000 11.886) 11.907 3.767 ( 3.464 0.000 1.888) 3.946 4.125 ( -1.156 0.000 0.038) 1.157 4.267 ( -4.024 0.000 -6.277) 7.456 4.315 ( -2.890 0.000 -11.691) 12.043 4.518 ( -0.448 0.000 -7.360) 7.374 4.585 ( 4.484 0.000 3.502) 5.690 4.608 ( 4.185 0.000 -13.393) 14.032 4.735 ( 2.841 0.000 4.681) 5.476 4.764 ( 2.081 0.000 -4.629) 5.075 4.867 ( 8.658 0.000 10.022) 13.244 4.902 ( 6.988 0.000 3.034) 7.618 5.143 ( 1.550 0.000 -10.715) 10.826 5.307 ( -5.080 0.000 7.555) 9.104 5.441 ( -4.502 0.000 0.361) 4.516 5.673 ( -1.199 0.000 -0.564) 1.325 5.748 ( 5.376 0.000 -4.778) 7.192 5.787 ( 8.745 0.000 7.306) 11.395 5.800 ( 1.205 -0.000 3.177) 3.398 5.889 ( 0.231 0.000 4.951) 4.956 5.988 ( -0.777 -0.000 3.392) 3.479 6.244 ( -7.814 0.000 1.853) 8.031 6.257 ( 4.180 0.000 -2.781) 5.021 6.395 ( 3.577 0.000 -0.152) 3.581 6.517 ( -0.830 0.000 10.889) 10.921 6.560 ( -5.239 0.000 -0.058) 5.239 6.757 ( -9.775 0.000 -2.336) 10.051 6.765 ( -1.496 -0.000 0.163) 1.505 6.921 ( 1.120 0.000 -3.335) 3.518 7.034 ( 1.866 0.000 -3.604) 4.058 7.056 ( -6.461 0.000 0.399) 6.473 7.206 ( 4.264 0.000 -0.912) 4.361 7.272 ( 4.611 -0.000 -5.510) 7.185 7.352 ( -2.374 0.000 -6.434) 6.858 7.383 ( -0.750 0.000 -7.127) 7.166 7.593 ( -3.065 0.000 6.408) 7.104 7.638 ( -4.651 0.000 -10.289) 11.291 7.703 ( -1.903 0.000 2.055) 2.801 7.867 ( -7.889 0.000 1.343) 8.003 7.947 ( -3.089 0.000 -0.508) 3.130 7.986 ( -1.059 0.000 -7.686) 7.759 8.091 ( -2.372 0.000 -4.940) 5.480 8.254 ( -1.107 0.000 6.893) 6.981 8.336 ( -1.836 0.000 -5.389) 5.693 8.407 ( -1.769 0.000 -3.892) 4.276 8.513 ( 3.060 0.000 -1.700) 3.500 8.685 ( -4.864 0.000 5.683) 7.480 8.692 ( 2.160 -0.000 -2.534) 3.329 8.842 ( 5.358 0.000 5.092) 7.392 9.080 ( -7.529 0.000 3.586) 8.339 9.116 ( -3.283 0.000 10.509) 11.010 9.212 ( -0.631 0.000 4.083) 4.131 9.343 ( 2.583 0.000 11.475) 11.762 9.389 ( 2.854 0.000 6.370) 6.980 9.420 ( 3.786 0.000 7.005) 7.963 9.527 ( 0.766 0.000 -0.344) 0.839 9.725 ( 4.624 0.000 3.964) 6.090 9.728 ( -3.279 -0.000 -7.025) 7.753 9.768 ( -1.170 0.000 -1.414) 1.836 9.911 ( -0.547 0.000 0.116) 0.559 10.014 ( 8.057 0.000 10.519) 13.250 10.119 ( 3.297 0.000 6.717) 7.483 10.138 ( -0.452 0.000 -2.805) 2.841 10.194 ( -0.578 -0.000 0.175) 0.604 10.225 ( -1.781 0.000 -2.586) 3.140 10.359 ( 0.836 -0.000 -7.900) 7.945 10.518 ( 0.535 0.000 5.926) 5.950 10.544 ( 1.133 -0.000 -4.193) 4.343 10.728 ( 9.323 0.000 -4.590) 10.392 10.793 ( 11.255 0.000 -10.794) 15.594 10.877 ( 2.968 0.000 -6.003) 6.697 10.923 ( 2.521 0.000 -4.849) 5.465 10.981 ( -4.712 0.000 -1.628) 4.985 11.110 ( 0.884 0.000 -5.213) 5.287 11.132 ( 1.729 0.000 1.583) 2.344 11.214 ( -8.881 0.000 5.627) 10.514 11.259 ( 7.363 0.000 -3.554) 8.176 11.277 ( 2.313 0.000 -4.797) 5.325 11.284 ( 0.896 -0.000 0.969) 1.320 11.363 ( 3.652 0.000 0.226) 3.659 11.489 ( -3.385 0.000 -0.680) 3.452 11.497 ( -3.829 -0.000 2.199) 4.416 11.635 ( -5.519 0.000 -2.190) 5.937 11.749 ( 4.598 0.000 -1.532) 4.846 11.774 ( -4.817 -0.000 -0.087) 4.818 11.801 ( 1.869 0.000 1.632) 2.481 11.909 ( -2.106 0.000 0.241) 2.119 11.995 ( -3.703 0.000 6.390) 7.386 12.070 ( 0.273 0.000 0.397) 0.481 12.146 ( -0.199 -0.000 9.425) 9.427 12.175 ( -0.981 0.000 3.447) 3.584 12.182 ( -7.032 -0.000 0.894) 7.088 12.288 ( -2.635 0.000 -1.399) 2.984 12.338 ( -5.340 0.000 7.695) 9.367 12.437 ( -1.407 0.000 -5.413) 5.593 12.542 ( 4.056 -0.000 3.294) 5.225 12.736 ( 2.208 -0.000 -1.977) 2.964 12.762 ( 1.961 0.000 2.649) 3.296 12.823 ( 4.222 0.000 -3.521) 5.498 12.901 ( -1.320 0.000 -0.356) 1.367 13.005 ( 3.075 0.000 -4.322) 5.304 13.043 ( 1.440 0.000 -0.039) 1.441 13.080 ( -1.157 0.000 -0.299) 1.195 13.138 ( -2.116 -0.000 -0.648) 2.213 13.254 ( -1.514 0.000 1.102) 1.872 13.408 ( 0.812 0.000 -8.502) 8.541 13.488 ( 2.636 0.000 -4.024) 4.810 13.666 ( -3.296 0.000 4.331) 5.443 13.750 ( 0.567 0.000 2.765) 2.823 13.797 ( -0.204 0.000 4.269) 4.274 14.001 ( -3.023 0.000 3.298) 4.474 14.049 ( 2.427 0.000 1.073) 2.653 14.095 ( -2.953 0.000 -3.720) 4.750 14.432 ( 3.738 0.000 -6.232) 7.267 14.516 ( 6.987 0.000 0.327) 6.994 14.644 ( -6.507 0.000 2.871) 7.112 14.845 ( -1.475 0.000 -0.005) 1.475 14.978 ( -7.539 0.000 -2.869) 8.067 15.063 ( 2.628 0.000 -3.531) 4.401 15.085 ( 9.503 0.000 7.033) 11.822 15.240 ( 0.304 0.000 -4.235) 4.246 15.422 ( 0.144 0.000 -5.662) 5.664 15.663 ( 3.107 0.000 -0.974) 3.256 15.844 ( 2.484 0.000 -1.850) 3.097 16.125 ( -7.456 0.000 -1.694) 7.646 16.239 ( -1.722 0.000 -0.241) 1.739 16.276 ( 5.647 0.000 2.198) 6.059 16.302 ( -13.326 0.000 11.560) 17.642 16.435 ( 7.865 0.000 0.596) 7.887 16.599 ( -6.270 0.000 4.666) 7.816 16.647 ( -0.250 0.000 0.165) 0.300 16.863 ( -1.237 -0.000 -1.758) 2.150 16.870 ( 0.754 0.000 -2.981) 3.075 16.954 ( 0.651 0.000 1.542) 1.674 17.066 ( -0.888 0.000 1.034) 1.363 17.230 ( -2.185 0.000 -0.337) 2.211 17.447 ( -2.381 0.000 1.877) 3.032 17.488 ( 1.700 0.000 0.085) 1.702 17.496 ( 5.932 0.000 0.333) 5.942 17.633 ( -1.970 0.000 7.590) 7.841 18.151 ( 9.745 0.000 -5.912) 11.398 18.163 ( 1.930 0.000 -0.102) 1.933 18.428 ( 11.399 0.000 -5.036) 12.462 19.023 ( -8.012 0.000 -0.642) 8.037 19.223 ( -6.762 0.000 0.733) 6.802 19.497 ( -1.942 0.000 -1.048) 2.206 19.560 ( -3.868 0.000 -3.487) 5.208 21.836 ( 0.180 0.000 -0.992) 1.008 22.242 ( 0.584 0.000 2.765) 2.826 22.365 ( 0.375 0.000 -1.461) 1.509 22.717 ( 0.094 0.000 3.747) 3.749 23.683 ( -0.149 0.000 0.056) 0.159 23.816 ( 0.057 0.000 -0.006) 0.057 24.323 ( -0.391 0.000 1.259) 1.318 24.502 ( 0.891 0.000 -2.438) 2.596 24.681 ( 0.239 0.000 -1.920) 1.934 24.735 ( -0.841 0.000 2.039) 2.206 24.814 ( 0.137 0.000 0.117) 0.180 24.995 ( 0.186 0.000 1.939) 1.948 25.067 ( 1.442 0.000 -5.872) 6.046 25.438 ( -0.572 0.000 4.311) 4.349 25.607 ( -0.180 0.000 -1.518) 1.529 26.036 ( -0.476 0.000 -0.320) 0.573 ======================= Grid point 67 (37/65) ======================= q-point: ( 0.20 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.281 ( 10.183 0.000 1.993) 10.377 3.455 ( 4.687 0.000 7.261) 8.642 3.532 ( 5.043 -0.000 11.530) 12.585 3.877 ( 4.220 0.000 2.569) 4.941 4.015 ( -8.144 0.000 -1.659) 8.311 4.049 ( -12.175 0.000 -5.124) 13.209 4.161 ( -4.533 0.000 -7.051) 8.382 4.291 ( -12.526 0.000 -5.353) 13.621 4.538 ( 1.485 0.000 -11.908) 12.000 4.680 ( 0.010 0.000 -8.628) 8.628 4.713 ( 2.496 0.000 0.847) 2.635 4.868 ( 5.342 0.000 5.045) 7.348 4.972 ( -3.891 0.000 -3.181) 5.026 5.073 ( 3.866 0.000 7.677) 8.596 5.168 ( 6.802 -0.000 3.495) 7.648 5.219 ( -6.039 0.000 -3.898) 7.188 5.369 ( -3.670 0.000 -4.423) 5.747 5.642 ( -0.666 0.000 -2.782) 2.860 5.677 ( -12.361 0.000 -3.514) 12.851 5.820 ( 2.273 0.000 -2.238) 3.190 5.942 ( 1.065 0.000 2.406) 2.631 5.998 ( 3.407 0.000 7.740) 8.457 6.125 ( 9.822 -0.000 13.290) 16.525 6.175 ( -1.601 0.000 3.320) 3.686 6.253 ( -2.453 0.000 -4.191) 4.856 6.418 ( 0.796 0.000 -5.781) 5.835 6.508 ( -5.492 0.000 11.248) 12.517 6.618 ( 7.425 0.000 7.543) 10.584 6.700 ( 3.538 0.000 -6.655) 7.537 6.812 ( 3.034 0.000 4.350) 5.304 6.862 ( 1.451 0.000 0.071) 1.453 7.006 ( 0.243 0.000 -6.533) 6.537 7.086 ( 7.515 0.000 5.073) 9.067 7.135 ( -1.485 0.000 -8.694) 8.820 7.267 ( -0.978 0.000 -4.534) 4.638 7.334 ( -6.646 0.000 -17.004) 18.257 7.439 ( -0.207 -0.000 -2.963) 2.970 7.464 ( 1.315 0.000 0.565) 1.431 7.566 ( 0.016 0.000 -5.575) 5.575 7.651 ( 6.480 0.000 -0.066) 6.481 7.854 ( -0.359 0.000 10.895) 10.901 7.883 ( 0.771 0.000 2.579) 2.692 7.927 ( -0.568 0.000 5.262) 5.293 8.210 ( 10.082 0.000 -2.207) 10.321 8.295 ( 1.443 0.000 2.754) 3.109 8.343 ( 4.717 0.000 -2.294) 5.245 8.379 ( 2.928 -0.000 -1.691) 3.382 8.571 ( -1.827 0.000 5.935) 6.210 8.587 ( -0.684 0.000 -4.169) 4.225 8.720 ( 1.948 0.000 -0.089) 1.950 8.935 ( -12.173 0.000 8.680) 14.951 8.942 ( 1.077 -0.000 -6.327) 6.418 8.981 ( -13.298 0.000 5.036) 14.219 9.246 ( -0.437 0.000 12.278) 12.285 9.319 ( -10.372 0.000 5.009) 11.518 9.422 ( -0.072 0.000 -0.481) 0.486 9.517 ( 2.102 0.000 3.586) 4.157 9.556 ( -3.629 0.000 -3.117) 4.784 9.733 ( 7.411 -0.000 2.031) 7.684 9.781 ( -0.512 0.000 -0.242) 0.566 9.816 ( 2.751 0.000 4.380) 5.173 9.897 ( -0.891 0.000 3.198) 3.320 10.083 ( -1.490 0.000 -1.794) 2.332 10.092 ( -5.347 -0.000 -9.880) 11.234 10.162 ( -0.154 -0.000 3.161) 3.165 10.246 ( 4.086 0.000 2.210) 4.646 10.254 ( -2.414 -0.000 0.902) 2.577 10.328 ( 2.839 -0.000 2.829) 4.007 10.441 ( -4.133 -0.000 -7.438) 8.509 10.542 ( 0.269 0.000 -3.757) 3.766 10.754 ( -6.998 0.000 -7.267) 10.089 10.792 ( -3.516 0.000 -4.676) 5.851 10.803 ( -3.504 -0.000 5.540) 6.555 10.910 ( 0.800 0.000 -1.588) 1.778 11.001 ( 4.069 0.000 1.002) 4.190 11.095 ( 4.350 -0.000 1.374) 4.562 11.168 ( 1.237 0.000 -0.365) 1.290 11.250 ( -2.591 0.000 -0.163) 2.596 11.252 ( 4.107 -0.000 -9.839) 10.662 11.311 ( 0.601 0.000 -1.206) 1.348 11.358 ( -0.723 0.000 -4.489) 4.547 11.430 ( 4.537 0.000 -2.920) 5.395 11.491 ( 4.607 0.000 -0.508) 4.635 11.498 ( 6.911 -0.000 -3.262) 7.642 11.579 ( 1.108 0.000 0.450) 1.196 11.702 ( -0.485 0.000 0.476) 0.680 11.756 ( -3.038 0.000 0.502) 3.079 11.845 ( 1.578 0.000 3.172) 3.543 11.883 ( -0.373 0.000 -2.382) 2.411 11.978 ( -0.370 0.000 3.505) 3.524 12.009 ( -8.088 0.000 8.528) 11.753 12.089 ( 1.634 0.000 -1.053) 1.944 12.200 ( 0.053 0.000 1.438) 1.439 12.216 ( -1.398 0.000 -1.013) 1.726 12.244 ( -2.615 0.000 11.840) 12.125 12.348 ( 4.461 0.000 -0.808) 4.533 12.395 ( 0.068 0.000 -2.879) 2.880 12.576 ( -4.047 0.000 4.085) 5.751 12.786 ( -2.118 0.000 3.026) 3.694 12.799 ( 5.129 0.000 1.372) 5.309 12.891 ( 2.822 0.000 -3.519) 4.511 12.923 ( 4.923 0.000 -0.513) 4.950 12.999 ( -2.147 0.000 0.663) 2.247 13.005 ( -3.777 -0.000 -1.214) 3.968 13.057 ( 1.706 0.000 -5.792) 6.038 13.068 ( -3.640 -0.000 -1.256) 3.850 13.283 ( 1.684 0.000 1.682) 2.380 13.389 ( 2.451 0.000 -4.203) 4.866 13.518 ( 2.519 0.000 -3.632) 4.421 13.669 ( 0.294 0.000 2.289) 2.307 13.751 ( -1.562 0.000 2.271) 2.756 13.858 ( 1.561 0.000 6.510) 6.694 13.935 ( -5.938 0.000 -1.570) 6.142 14.000 ( -2.070 0.000 0.151) 2.076 14.034 ( -2.333 0.000 -0.400) 2.367 14.508 ( 7.014 0.000 -5.501) 8.914 14.591 ( -2.761 0.000 8.816) 9.238 14.642 ( 5.185 0.000 -7.899) 9.448 14.880 ( 2.821 -0.000 4.914) 5.666 14.885 ( -1.645 0.000 2.529) 3.017 15.084 ( 2.187 0.000 -4.589) 5.083 15.218 ( 2.360 0.000 -6.414) 6.835 15.305 ( 8.017 0.000 -0.173) 8.018 15.380 ( 0.071 0.000 -4.684) 4.685 15.716 ( 2.309 0.000 -0.833) 2.454 15.799 ( -3.477 0.000 -2.649) 4.371 15.921 ( -8.854 0.000 0.673) 8.880 16.175 ( -8.434 0.000 13.840) 16.208 16.209 ( -1.255 -0.000 0.482) 1.344 16.374 ( 2.178 0.000 -1.363) 2.569 16.474 ( -2.568 0.000 -2.662) 3.699 16.582 ( -4.148 0.000 -0.538) 4.183 16.620 ( 2.041 0.000 5.472) 5.840 16.828 ( -1.169 0.000 1.721) 2.081 16.851 ( -0.165 0.000 -1.640) 1.649 16.964 ( -2.634 0.000 1.692) 3.131 17.069 ( 0.116 0.000 2.961) 2.963 17.152 ( -5.627 0.000 2.062) 5.992 17.361 ( -3.976 0.000 -0.874) 4.071 17.486 ( -1.081 0.000 -0.463) 1.176 17.616 ( -3.560 0.000 4.616) 5.830 17.658 ( 7.011 0.000 0.333) 7.019 18.180 ( 0.118 0.000 0.009) 0.118 18.307 ( 8.978 0.000 -11.987) 14.977 18.664 ( 12.382 0.000 -11.913) 17.183 18.912 ( -1.782 0.000 4.835) 5.153 19.157 ( 0.830 0.000 7.046) 7.094 19.463 ( -0.794 0.000 0.127) 0.804 19.484 ( -1.502 0.000 -1.840) 2.375 21.819 ( -0.942 0.000 -0.844) 1.265 22.288 ( 1.531 0.000 2.009) 2.526 22.358 ( 0.054 0.000 -1.257) 1.259 22.740 ( -0.594 0.000 2.987) 3.045 23.680 ( -0.218 0.000 0.241) 0.325 23.816 ( 0.023 0.000 -0.196) 0.198 24.329 ( -0.058 0.000 1.192) 1.194 24.503 ( 1.065 0.000 -2.407) 2.632 24.693 ( 2.121 0.000 -1.497) 2.596 24.740 ( -0.375 0.000 2.219) 2.250 24.820 ( 0.468 0.000 -0.219) 0.517 25.008 ( -0.468 0.000 1.703) 1.766 25.055 ( 1.836 0.000 -5.433) 5.735 25.457 ( -0.785 0.000 3.664) 3.747 25.559 ( -2.878 0.000 -1.255) 3.140 25.996 ( -2.806 0.000 -0.109) 2.808 ======================= Grid point 69 (38/65) ======================= q-point: ( 0.40 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.519 ( 6.373 0.000 2.666) 6.908 3.578 ( 0.200 0.000 4.131) 4.136 3.621 ( -5.041 -0.000 2.208) 5.503 3.773 ( -5.972 0.000 -0.325) 5.981 3.801 ( -5.282 0.000 -4.431) 6.894 3.888 ( -3.906 0.000 -2.890) 4.859 4.162 ( 3.822 0.000 1.023) 3.956 4.172 ( 6.027 -0.000 5.596) 8.224 4.537 ( 5.578 0.000 -7.575) 9.407 4.593 ( -0.949 -0.000 -6.864) 6.929 4.742 ( -1.380 0.000 -12.417) 12.493 4.835 ( -0.649 -0.000 -1.715) 1.834 4.912 ( -4.531 0.000 -21.128) 21.608 4.973 ( -0.419 0.000 -9.531) 9.540 5.193 ( -8.464 0.000 -3.926) 9.330 5.226 ( 1.702 0.000 12.731) 12.844 5.329 ( 7.412 0.000 -7.296) 10.400 5.406 ( -11.929 0.000 2.841) 12.263 5.576 ( -4.023 0.000 3.380) 5.254 5.869 ( 2.584 0.000 3.705) 4.517 5.909 ( -4.753 0.000 0.787) 4.818 6.111 ( 3.217 0.000 -7.929) 8.556 6.127 ( -5.861 0.000 1.671) 6.095 6.194 ( -1.814 0.000 16.806) 16.904 6.363 ( -0.931 0.000 -2.190) 2.380 6.410 ( -5.243 0.000 -4.213) 6.726 6.458 ( 11.774 0.000 5.751) 13.103 6.794 ( 0.491 -0.000 -1.918) 1.980 6.800 ( 3.429 0.000 2.301) 4.129 6.865 ( -6.226 0.000 -3.800) 7.294 6.952 ( 8.374 -0.000 5.225) 9.871 6.979 ( 1.247 0.000 -1.936) 2.303 7.142 ( 4.352 0.000 -3.822) 5.792 7.186 ( -3.763 0.000 -5.738) 6.862 7.216 ( 10.218 -0.000 5.299) 11.510 7.310 ( 0.791 0.000 9.724) 9.756 7.407 ( 9.037 -0.000 8.758) 12.585 7.423 ( -1.210 0.000 5.630) 5.759 7.688 ( 6.225 0.000 -1.236) 6.347 7.833 ( 7.952 0.000 -3.062) 8.521 7.909 ( 1.539 0.000 3.111) 3.471 8.002 ( 7.056 0.000 -1.709) 7.260 8.034 ( -0.383 -0.000 20.110) 20.114 8.331 ( -3.500 0.000 6.522) 7.402 8.366 ( 4.438 0.000 -4.157) 6.081 8.412 ( 0.432 0.000 -4.982) 5.000 8.448 ( 2.145 -0.000 0.330) 2.170 8.475 ( -1.240 -0.000 7.490) 7.592 8.688 ( -15.419 0.000 -0.660) 15.433 8.724 ( 1.972 -0.000 1.371) 2.402 8.755 ( 0.084 0.000 1.109) 1.113 8.799 ( 0.680 0.000 5.742) 5.782 8.912 ( 2.724 0.000 -3.738) 4.626 9.011 ( -18.347 0.000 3.384) 18.657 9.307 ( 0.635 0.000 5.107) 5.147 9.396 ( -2.528 0.000 -0.237) 2.539 9.511 ( 0.738 0.000 -4.370) 4.432 9.622 ( 7.551 0.000 -0.070) 7.551 9.691 ( -9.723 0.000 -9.890) 13.869 9.772 ( -0.805 0.000 -6.139) 6.191 9.797 ( -2.404 -0.000 5.865) 6.339 9.934 ( -2.684 0.000 -3.987) 4.807 9.950 ( 1.738 0.000 2.930) 3.406 10.043 ( -2.352 0.000 -5.996) 6.440 10.203 ( 0.905 0.000 3.988) 4.090 10.221 ( 3.709 0.000 4.107) 5.534 10.249 ( -7.102 0.000 -5.217) 8.812 10.298 ( 2.216 0.000 -2.582) 3.402 10.457 ( -3.099 0.000 -12.261) 12.647 10.459 ( 2.301 -0.000 2.888) 3.693 10.538 ( -7.512 0.000 -4.996) 9.021 10.667 ( -4.027 0.000 -6.315) 7.490 10.785 ( -1.728 0.000 5.707) 5.963 10.989 ( 5.282 0.000 -0.143) 5.284 11.047 ( 1.580 0.000 -1.766) 2.370 11.142 ( -0.716 0.000 -5.279) 5.328 11.147 ( -8.252 -0.000 -6.459) 10.479 11.180 ( 3.418 -0.000 -10.813) 11.341 11.237 ( -0.333 0.000 3.754) 3.769 11.292 ( 7.555 -0.000 -0.783) 7.596 11.303 ( 1.215 0.000 -6.727) 6.836 11.499 ( 2.557 0.000 1.552) 2.991 11.529 ( -1.714 -0.000 -2.941) 3.404 11.545 ( 0.924 0.000 -1.002) 1.363 11.629 ( 0.321 0.000 3.079) 3.096 11.761 ( -0.698 -0.000 3.472) 3.542 11.774 ( 1.493 0.000 5.708) 5.900 11.882 ( -0.736 0.000 5.938) 5.983 11.968 ( -0.351 0.000 6.359) 6.369 11.980 ( 8.624 0.000 3.706) 9.387 12.032 ( 1.804 0.000 2.154) 2.810 12.093 ( 0.459 0.000 -4.952) 4.973 12.168 ( -3.988 0.000 3.268) 5.156 12.209 ( -0.061 0.000 0.429) 0.434 12.285 ( 1.348 0.000 2.278) 2.647 12.426 ( 5.709 0.000 -4.322) 7.160 12.430 ( 3.027 -0.000 -0.262) 3.038 12.483 ( -6.944 0.000 3.246) 7.666 12.736 ( -3.971 0.000 3.072) 5.020 12.813 ( -4.074 0.000 -2.683) 4.878 12.904 ( -1.765 0.000 -3.301) 3.743 12.917 ( -2.784 -0.000 -2.277) 3.596 12.943 ( -2.301 0.000 -1.226) 2.608 13.019 ( 2.234 0.000 3.287) 3.974 13.048 ( 2.798 0.000 3.230) 4.273 13.090 ( 3.089 0.000 0.468) 3.124 13.321 ( 2.437 0.000 -3.055) 3.908 13.450 ( 6.042 0.000 -2.161) 6.417 13.525 ( 1.180 0.000 -3.853) 4.030 13.688 ( -5.312 0.000 -0.321) 5.322 13.692 ( 0.519 -0.000 1.693) 1.771 13.866 ( -0.378 0.000 4.835) 4.850 13.883 ( -3.343 0.000 6.445) 7.260 13.982 ( -0.361 0.000 0.778) 0.857 14.074 ( 5.465 0.000 -0.940) 5.546 14.487 ( -13.021 0.000 4.910) 13.916 14.615 ( 6.268 0.000 -3.187) 7.032 14.693 ( 5.353 0.000 -4.451) 6.962 14.846 ( -4.646 0.000 -0.889) 4.730 14.959 ( 0.950 0.000 2.747) 2.907 15.077 ( 0.516 0.000 -4.980) 5.007 15.295 ( 8.996 0.000 -3.278) 9.575 15.367 ( 1.935 0.000 -3.265) 3.796 15.443 ( 8.354 0.000 -3.647) 9.116 15.704 ( -1.570 0.000 -3.905) 4.209 15.717 ( -2.700 -0.000 -2.568) 3.727 15.797 ( -7.065 0.000 5.059) 8.689 16.113 ( -8.738 0.000 9.165) 12.663 16.211 ( 0.678 0.000 1.319) 1.483 16.362 ( 0.009 0.000 4.142) 4.142 16.441 ( 1.384 0.000 -1.077) 1.754 16.558 ( 2.257 0.000 -1.160) 2.537 16.658 ( -1.232 0.000 7.481) 7.581 16.843 ( -1.818 -0.000 3.984) 4.379 16.850 ( 1.017 0.000 -1.882) 2.140 16.865 ( -4.611 -0.000 -0.516) 4.640 17.066 ( -4.871 -0.000 4.972) 6.960 17.096 ( -0.612 0.000 3.370) 3.425 17.330 ( 0.534 0.000 2.190) 2.254 17.445 ( -1.248 0.000 -3.216) 3.450 17.597 ( -1.598 0.000 4.358) 4.642 17.745 ( 1.835 0.000 -2.866) 3.403 18.180 ( 0.007 0.000 -0.403) 0.403 18.238 ( 0.802 -0.000 -25.354) 25.366 18.621 ( 0.994 0.000 -25.329) 25.349 19.075 ( 6.080 0.000 17.920) 18.923 19.396 ( 7.149 0.000 19.588) 20.852 19.453 ( -0.962 0.000 0.677) 1.177 19.458 ( -0.091 0.000 -0.387) 0.397 21.799 ( -0.223 0.000 -0.452) 0.504 22.313 ( -0.249 -0.000 0.006) 0.249 22.352 ( 0.288 0.000 -1.041) 1.080 22.734 ( -1.587 0.000 1.120) 1.942 23.679 ( -0.105 0.000 0.396) 0.410 23.815 ( 0.022 0.000 -0.288) 0.289 24.335 ( -0.234 0.000 1.002) 1.029 24.506 ( 1.006 0.000 -2.321) 2.529 24.730 ( 1.850 0.000 -0.879) 2.048 24.750 ( -0.602 0.000 2.502) 2.574 24.827 ( 0.448 0.000 -0.678) 0.812 25.000 ( -1.197 0.000 0.734) 1.404 25.060 ( 2.551 0.000 -4.883) 5.510 25.457 ( -1.678 0.000 2.636) 3.125 25.502 ( -1.326 0.000 -0.247) 1.349 25.948 ( -1.437 0.000 0.599) 1.557 ======================= Grid point 71 (39/65) ======================= q-point: (-0.40 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.399 ( -10.755 0.000 -0.604) 10.772 3.477 ( -8.943 0.000 1.734) 9.110 3.485 ( -7.643 -0.000 3.673) 8.480 3.704 ( -0.597 0.000 -4.567) 4.606 3.935 ( 7.296 0.000 1.165) 7.389 3.965 ( 14.894 -0.000 1.442) 14.964 4.293 ( 2.943 0.000 5.337) 6.094 4.360 ( 6.782 0.000 7.620) 10.201 4.537 ( 6.022 0.000 -18.587) 19.538 4.577 ( 1.025 0.000 -9.200) 9.257 4.628 ( 0.810 0.000 -4.551) 4.622 4.662 ( 0.905 0.000 -20.905) 20.924 4.807 ( -6.460 0.000 -9.930) 11.847 4.838 ( -0.567 -0.000 -7.603) 7.624 5.074 ( 2.320 0.000 -0.001) 2.320 5.316 ( -4.649 0.000 13.677) 14.445 5.351 ( 4.869 0.000 -11.531) 12.517 5.400 ( 10.298 0.000 0.650) 10.319 5.604 ( 0.691 0.000 8.036) 8.066 5.794 ( -6.712 0.000 1.714) 6.927 5.894 ( -3.960 0.000 1.561) 4.257 6.042 ( -1.683 0.000 0.425) 1.735 6.065 ( -2.844 0.000 -0.229) 2.854 6.253 ( -1.840 0.000 -13.408) 13.533 6.320 ( 0.440 0.000 -4.964) 4.983 6.360 ( 1.141 0.000 14.216) 14.262 6.608 ( -7.679 0.000 -5.142) 9.242 6.721 ( 0.300 -0.000 13.063) 13.067 6.729 ( -1.197 0.000 -1.089) 1.618 6.858 ( 1.720 0.000 0.464) 1.781 6.923 ( 1.844 0.000 -8.128) 8.334 7.047 ( -1.669 0.000 -2.029) 2.627 7.209 ( -4.921 0.000 0.662) 4.965 7.237 ( 4.326 0.000 11.207) 12.013 7.378 ( 2.874 0.000 9.932) 10.340 7.398 ( -0.229 0.000 9.254) 9.257 7.610 ( -0.747 0.000 2.072) 2.203 7.709 ( 14.509 0.000 14.042) 20.191 7.756 ( -1.927 0.000 2.828) 3.422 7.935 ( 5.996 0.000 -5.141) 7.899 7.974 ( -5.284 0.000 -9.487) 10.859 8.016 ( 3.828 -0.000 7.732) 8.628 8.131 ( -5.601 0.000 10.420) 11.830 8.183 ( -13.970 0.000 14.408) 20.069 8.262 ( -8.462 -0.000 -2.477) 8.818 8.381 ( -0.799 0.000 -2.439) 2.566 8.456 ( -6.012 0.000 6.389) 8.773 8.473 ( 1.527 -0.000 -4.508) 4.760 8.549 ( 5.832 0.000 0.046) 5.833 8.676 ( -7.624 0.000 7.431) 10.646 8.742 ( 5.336 -0.000 3.851) 6.581 8.764 ( 2.483 0.000 -4.180) 4.862 8.961 ( -1.024 0.000 0.991) 1.425 9.134 ( 11.201 0.000 4.292) 11.996 9.287 ( -0.035 0.000 -2.971) 2.971 9.359 ( -4.933 0.000 5.251) 7.205 9.442 ( -6.282 0.000 -7.895) 10.089 9.538 ( 2.706 0.000 -0.824) 2.829 9.674 ( -1.347 0.000 -8.237) 8.347 9.805 ( -0.640 0.000 1.752) 1.866 9.841 ( 3.285 0.000 1.272) 3.523 9.882 ( -1.383 0.000 -0.189) 1.396 9.910 ( 7.265 0.000 -7.050) 10.123 9.917 ( -0.362 -0.000 -7.528) 7.537 10.171 ( -0.896 0.000 -4.088) 4.185 10.218 ( -7.182 0.000 -8.959) 11.482 10.274 ( 1.676 -0.000 4.004) 4.340 10.282 ( 1.094 0.000 -4.934) 5.054 10.373 ( 3.196 0.000 2.512) 4.065 10.469 ( 2.884 0.000 -0.938) 3.032 10.474 ( 3.570 -0.000 -1.227) 3.775 10.571 ( -2.412 0.000 -5.482) 5.989 10.788 ( 1.549 0.000 -2.747) 3.154 10.914 ( -3.309 0.000 -3.238) 4.630 11.083 ( 0.387 0.000 -0.547) 0.670 11.105 ( 5.172 0.000 -12.034) 13.099 11.138 ( 4.229 0.000 -2.821) 5.083 11.222 ( -1.557 0.000 -5.308) 5.532 11.232 ( 7.200 -0.000 -4.750) 8.626 11.262 ( -0.338 -0.000 -4.710) 4.722 11.367 ( -2.101 0.000 -3.848) 4.384 11.510 ( -0.900 0.000 9.584) 9.626 11.563 ( 3.273 0.000 0.656) 3.338 11.585 ( 0.092 -0.000 3.698) 3.699 11.633 ( -0.443 0.000 5.157) 5.176 11.713 ( -3.815 0.000 0.357) 3.832 11.816 ( -2.277 0.000 6.302) 6.701 11.862 ( -3.543 0.000 4.630) 5.830 12.000 ( -6.048 0.000 -1.181) 6.163 12.037 ( -2.601 0.000 2.584) 3.666 12.067 ( 1.019 0.000 4.426) 4.541 12.107 ( 1.303 0.000 0.795) 1.526 12.167 ( 0.045 0.000 3.557) 3.557 12.240 ( 3.365 0.000 -0.660) 3.430 12.313 ( 0.561 0.000 -1.004) 1.150 12.393 ( -2.551 0.000 3.426) 4.271 12.483 ( 0.938 0.000 3.022) 3.164 12.507 ( 5.330 0.000 -6.323) 8.270 12.690 ( -4.505 0.000 -2.572) 5.188 12.694 ( -4.388 -0.000 7.815) 8.962 12.849 ( -3.307 0.000 0.993) 3.453 12.858 ( 1.187 -0.000 -2.710) 2.959 12.907 ( 1.883 0.000 -4.760) 5.119 13.050 ( 0.848 0.000 -0.476) 0.973 13.120 ( -0.291 0.000 -2.135) 2.155 13.142 ( 2.467 0.000 2.674) 3.638 13.340 ( 1.102 0.000 -2.031) 2.311 13.513 ( 1.250 -0.000 -5.304) 5.449 13.517 ( 1.067 0.000 -4.338) 4.467 13.621 ( -1.264 0.000 3.353) 3.583 13.728 ( 0.795 0.000 4.226) 4.300 13.874 ( -2.878 0.000 5.844) 6.514 13.959 ( 4.173 0.000 4.141) 5.879 14.023 ( 3.532 0.000 3.925) 5.281 14.080 ( -8.137 0.000 -0.800) 8.177 14.291 ( -1.803 0.000 0.580) 1.894 14.627 ( -4.866 0.000 -3.657) 6.087 14.755 ( 1.127 0.000 -3.361) 3.545 14.781 ( 4.437 0.000 -1.648) 4.733 14.957 ( -3.039 0.000 2.159) 3.728 15.046 ( 1.174 0.000 -5.211) 5.342 15.375 ( 0.274 0.000 -1.158) 1.190 15.491 ( 8.372 0.000 2.593) 8.765 15.527 ( -6.757 -0.000 1.749) 6.979 15.571 ( -1.065 0.000 -7.487) 7.562 15.592 ( -4.285 0.000 -10.768) 11.589 15.812 ( 7.745 0.000 2.947) 8.287 16.052 ( -1.659 0.000 9.519) 9.662 16.238 ( 0.600 0.000 1.867) 1.961 16.464 ( 3.695 0.000 6.671) 7.626 16.468 ( 0.174 -0.000 0.579) 0.605 16.615 ( 0.065 0.000 0.662) 0.665 16.708 ( -2.019 -0.000 8.766) 8.996 16.736 ( -1.682 0.000 1.802) 2.465 16.886 ( 3.851 0.000 -3.732) 5.363 16.895 ( 1.936 0.000 0.605) 2.028 17.050 ( 0.766 0.000 6.972) 7.014 17.092 ( -1.930 0.000 2.772) 3.378 17.391 ( 2.253 0.000 4.447) 4.985 17.397 ( -0.094 -0.000 -4.696) 4.697 17.606 ( -1.212 0.000 4.454) 4.616 17.657 ( -6.165 0.000 -8.122) 10.197 18.082 ( 3.140 0.000 -20.150) 20.393 18.166 ( -0.839 -0.000 -1.310) 1.555 18.434 ( 0.311 0.000 -21.332) 21.334 19.270 ( -3.198 0.000 14.422) 14.772 19.423 ( -3.374 0.000 2.595) 4.256 19.455 ( 2.378 0.000 1.360) 2.739 19.641 ( 1.665 0.000 13.223) 13.327 21.806 ( 1.056 0.000 -0.309) 1.100 22.281 ( -2.203 0.000 -0.680) 2.306 22.355 ( 0.813 0.000 -1.036) 1.317 22.704 ( -1.575 0.000 0.548) 1.668 23.682 ( 0.040 0.000 0.313) 0.316 23.814 ( 0.058 0.000 -0.161) 0.171 24.333 ( -0.667 0.000 0.964) 1.172 24.507 ( 0.814 0.000 -2.307) 2.447 24.739 ( -0.398 0.000 -0.780) 0.876 24.751 ( -1.222 0.000 2.481) 2.766 24.824 ( -0.177 0.000 -0.782) 0.802 24.980 ( -0.893 0.000 0.492) 1.019 25.076 ( 2.539 0.000 -4.913) 5.530 25.435 ( -2.135 0.000 2.634) 3.390 25.518 ( 2.693 0.000 0.031) 2.693 25.960 ( 1.893 0.000 0.792) 2.052 ======================= Grid point 73 (40/65) ======================= q-point: (-0.20 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.220 ( -7.075 0.000 1.125) 7.164 3.342 ( -5.746 0.000 4.781) 7.475 3.357 ( -7.366 -0.000 7.624) 10.601 3.706 ( 2.070 0.000 -0.397) 2.108 4.092 ( 5.066 0.000 0.304) 5.075 4.247 ( 10.285 0.000 -2.080) 10.493 4.438 ( 11.762 0.000 -4.844) 12.721 4.443 ( 0.972 0.000 -16.387) 16.416 4.507 ( 1.486 0.000 -6.506) 6.674 4.553 ( 3.315 0.000 -4.829) 5.857 4.610 ( 6.799 0.000 7.512) 10.132 4.672 ( 4.257 0.000 -0.190) 4.261 4.726 ( 2.442 0.000 -8.594) 8.934 4.802 ( 3.395 0.000 -4.105) 5.327 5.159 ( 5.971 0.000 -10.973) 12.492 5.329 ( -4.722 0.000 12.616) 13.471 5.473 ( 11.477 0.000 2.131) 11.673 5.584 ( -7.887 0.000 1.052) 7.957 5.628 ( 10.155 -0.000 -0.526) 10.169 5.734 ( -1.323 0.000 5.932) 6.078 5.805 ( -3.596 0.000 -0.297) 3.608 5.953 ( -7.701 0.000 0.923) 7.756 6.005 ( -2.478 0.000 0.028) 2.478 6.187 ( 4.772 0.000 -8.030) 9.342 6.311 ( 3.546 0.000 -7.431) 8.234 6.417 ( -9.916 0.000 7.192) 12.249 6.452 ( -1.310 0.000 10.756) 10.836 6.690 ( -6.896 0.000 3.424) 7.699 6.790 ( 4.955 0.000 4.996) 7.036 6.887 ( -5.237 0.000 4.016) 6.600 7.012 ( 1.415 -0.000 -8.109) 8.232 7.046 ( 1.707 0.000 -0.596) 1.808 7.080 ( 8.339 0.000 -1.624) 8.496 7.118 ( -16.601 0.000 -3.558) 16.978 7.413 ( -12.733 0.000 -0.468) 12.741 7.462 ( -1.745 0.000 0.983) 2.003 7.474 ( -0.500 0.000 1.254) 1.350 7.646 ( -6.223 0.000 2.994) 6.906 7.758 ( -7.918 0.000 1.030) 7.985 7.828 ( -11.040 0.000 1.201) 11.105 7.960 ( -3.377 0.000 0.662) 3.441 7.979 ( 4.122 0.000 -11.003) 11.750 8.083 ( -3.152 0.000 -2.312) 3.909 8.178 ( -1.990 0.000 9.523) 9.729 8.235 ( -0.083 0.000 3.253) 3.254 8.410 ( 3.078 0.000 -0.622) 3.140 8.412 ( 0.749 0.000 0.514) 0.908 8.562 ( -5.308 0.000 -6.922) 8.722 8.590 ( 5.873 0.000 5.542) 8.075 8.677 ( -1.707 0.000 11.769) 11.892 8.785 ( 1.311 0.000 0.358) 1.359 8.977 ( 3.849 0.000 8.984) 9.774 9.024 ( 14.101 0.000 12.705) 18.980 9.203 ( -3.524 0.000 -5.722) 6.720 9.223 ( -6.536 0.000 1.901) 6.807 9.326 ( 2.304 0.000 -2.025) 3.068 9.345 ( -2.068 0.000 7.461) 7.742 9.587 ( 2.182 0.000 -5.588) 5.999 9.634 ( 3.149 0.000 -3.457) 4.676 9.754 ( 0.078 0.000 4.376) 4.376 9.835 ( -0.960 0.000 -1.747) 1.993 9.904 ( -1.806 0.000 -6.121) 6.381 9.918 ( 3.251 -0.000 -1.646) 3.644 9.974 ( -1.349 0.000 3.937) 4.161 10.122 ( 2.765 0.000 -1.257) 3.037 10.199 ( 5.558 0.000 -0.809) 5.616 10.274 ( 0.025 0.000 -2.137) 2.138 10.399 ( 3.398 0.000 -2.757) 4.375 10.443 ( 0.765 -0.000 7.631) 7.669 10.469 ( 3.284 0.000 -6.119) 6.945 10.581 ( 8.965 0.000 -6.155) 10.874 10.606 ( 10.027 0.000 -4.908) 11.164 10.824 ( 4.000 0.000 -2.869) 4.923 10.887 ( 2.115 0.000 -3.856) 4.398 11.086 ( 1.422 0.000 -5.974) 6.141 11.117 ( -1.241 0.000 -6.963) 7.073 11.132 ( 6.264 -0.000 -10.214) 11.981 11.167 ( 2.447 0.000 -3.928) 4.628 11.252 ( -2.893 0.000 -3.537) 4.569 11.264 ( 0.289 0.000 2.821) 2.835 11.319 ( 1.615 -0.000 -1.747) 2.379 11.462 ( -12.399 0.000 9.257) 15.474 11.559 ( -4.401 0.000 4.671) 6.417 11.577 ( -2.427 -0.000 -1.629) 2.923 11.679 ( 2.096 0.000 -2.589) 3.331 11.718 ( 2.076 0.000 5.019) 5.431 11.776 ( -4.600 0.000 1.057) 4.720 11.871 ( -5.389 0.000 0.531) 5.415 11.885 ( 1.435 0.000 7.248) 7.389 12.000 ( -2.248 0.000 3.743) 4.367 12.090 ( -2.529 0.000 0.610) 2.602 12.099 ( 0.999 -0.000 0.360) 1.062 12.176 ( -1.386 0.000 3.464) 3.730 12.281 ( -5.686 0.000 7.903) 9.736 12.302 ( 1.949 -0.000 -0.408) 1.991 12.432 ( 2.896 0.000 -0.731) 2.987 12.447 ( -7.206 0.000 6.061) 9.416 12.521 ( -0.315 0.000 -5.960) 5.969 12.665 ( 4.191 0.000 -1.850) 4.582 12.686 ( 0.513 -0.000 4.800) 4.827 12.818 ( -0.142 0.000 -0.355) 0.383 12.909 ( 2.166 0.000 -0.218) 2.177 12.943 ( 5.441 0.000 -5.057) 7.429 13.035 ( -0.667 0.000 -2.982) 3.055 13.094 ( -0.448 0.000 0.108) 0.461 13.169 ( -0.681 -0.000 0.214) 0.714 13.312 ( -3.342 0.000 0.713) 3.417 13.467 ( 0.478 0.000 -9.149) 9.161 13.493 ( 1.178 0.000 -6.180) 6.292 13.678 ( 2.791 0.000 4.337) 5.158 13.757 ( -6.939 0.000 5.609) 8.922 13.785 ( -3.971 0.000 5.386) 6.692 13.978 ( 2.374 0.000 -1.793) 2.975 14.016 ( -0.388 0.000 2.951) 2.976 14.131 ( 1.450 0.000 1.055) 1.793 14.365 ( 5.431 0.000 2.727) 6.077 14.482 ( -3.253 0.000 -6.688) 7.437 14.784 ( -3.499 0.000 -3.435) 4.903 14.835 ( 7.567 0.000 2.748) 8.050 14.895 ( -4.647 0.000 4.734) 6.633 15.047 ( 1.900 0.000 -3.907) 4.345 15.249 ( -13.918 -0.000 -2.753) 14.187 15.300 ( -4.111 0.000 -3.672) 5.512 15.458 ( 0.533 0.000 -7.107) 7.127 15.606 ( 3.608 0.000 -2.125) 4.187 15.713 ( 9.969 0.000 -0.150) 9.970 16.052 ( 10.504 0.000 4.328) 11.361 16.148 ( 2.767 0.000 8.147) 8.604 16.258 ( 0.023 0.000 1.296) 1.296 16.425 ( -3.578 0.000 -2.878) 4.592 16.492 ( -11.390 0.000 7.043) 13.392 16.585 ( 4.809 0.000 1.053) 4.923 16.691 ( -5.651 0.000 6.268) 8.439 16.841 ( 5.400 0.000 -0.622) 5.435 16.874 ( 0.100 0.000 -2.927) 2.929 16.932 ( 0.918 0.000 1.444) 1.711 17.073 ( -1.333 0.000 2.069) 2.461 17.209 ( 4.905 0.000 4.021) 6.343 17.400 ( 4.616 0.000 -2.288) 5.152 17.458 ( -2.899 0.000 1.172) 3.127 17.467 ( -0.103 0.000 -4.106) 4.108 17.612 ( -1.863 0.000 5.822) 6.113 18.057 ( 6.198 0.000 -11.725) 13.263 18.139 ( 0.641 0.000 -3.025) 3.093 18.347 ( 3.695 -0.000 -11.031) 11.633 19.190 ( -9.155 0.000 4.627) 10.258 19.348 ( -6.255 0.000 3.048) 6.958 19.521 ( 0.380 0.000 1.870) 1.909 19.664 ( -4.693 0.000 3.003) 5.572 21.827 ( 1.226 0.000 -0.799) 1.464 22.237 ( -1.661 0.000 1.137) 2.013 22.364 ( 0.817 0.000 -1.352) 1.579 22.693 ( -0.422 0.000 2.299) 2.337 23.684 ( 0.011 0.000 0.098) 0.099 23.815 ( 0.081 0.000 0.021) 0.084 24.326 ( -0.766 0.000 1.126) 1.362 24.504 ( 0.746 0.000 -2.378) 2.493 24.709 ( -1.281 0.000 -1.556) 2.015 24.742 ( -1.331 0.000 2.213) 2.582 24.815 ( -0.227 0.000 -0.139) 0.266 24.978 ( 0.041 0.000 1.238) 1.239 25.080 ( 1.827 0.000 -5.618) 5.908 25.423 ( -1.310 0.000 3.741) 3.964 25.583 ( 3.121 0.000 -0.760) 3.212 26.015 ( 2.368 0.000 0.236) 2.380 ======================= Grid point 90 (41/65) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( -7.547 0.000 38.994) 39.717 1.738 ( -4.418 0.000 40.400) 40.640 2.439 ( 6.546 0.000 -36.517) 37.099 2.545 ( 6.884 0.000 -36.595) 37.236 3.144 ( -2.012 0.000 67.436) 67.466 3.798 ( -12.173 0.000 -3.086) 12.558 3.843 ( -8.158 0.000 -0.027) 8.158 4.010 ( 9.961 0.000 -3.348) 10.509 4.136 ( -0.613 0.000 3.272) 3.329 4.220 ( 14.716 0.000 0.189) 14.718 4.404 ( 0.858 0.000 -45.529) 45.537 4.451 ( -5.014 0.000 -1.756) 5.312 4.673 ( 1.237 0.000 3.469) 3.683 4.946 ( -1.748 0.000 11.299) 11.433 4.957 ( -8.109 0.000 16.629) 18.501 5.113 ( 0.697 0.000 -4.793) 4.844 5.351 ( 8.445 0.000 -8.678) 12.109 5.515 ( -2.225 0.000 1.410) 2.634 5.550 ( -2.484 0.000 6.438) 6.901 5.739 ( 13.183 0.000 6.555) 14.723 5.787 ( -0.415 0.000 1.639) 1.691 5.837 ( -0.760 0.000 -0.548) 0.937 5.941 ( -1.141 0.000 1.924) 2.237 6.034 ( -8.298 0.000 -18.847) 20.593 6.078 ( -3.461 0.000 -2.907) 4.520 6.300 ( 7.955 0.000 3.509) 8.694 6.414 ( 1.585 0.000 8.602) 8.747 6.437 ( -4.151 0.000 -8.011) 9.023 6.575 ( 4.253 0.000 7.252) 8.407 6.694 ( -0.446 0.000 1.016) 1.110 6.729 ( -3.356 0.000 -5.737) 6.646 6.820 ( 2.883 0.000 -4.158) 5.060 7.011 ( -4.095 0.000 -9.538) 10.380 7.029 ( 0.857 0.000 1.791) 1.985 7.188 ( 10.083 0.000 9.064) 13.558 7.347 ( -2.648 0.000 9.136) 9.512 7.434 ( -10.576 0.000 -6.087) 12.203 7.463 ( 0.160 0.000 2.977) 2.981 7.569 ( -18.383 0.000 5.665) 19.236 7.599 ( -1.317 0.000 -3.677) 3.905 7.803 ( 6.975 0.000 -8.298) 10.840 7.830 ( 1.287 0.000 -9.810) 9.894 7.895 ( 4.538 0.000 -4.513) 6.400 7.993 ( -4.274 0.000 -0.775) 4.343 8.127 ( 6.603 0.000 2.763) 7.157 8.215 ( 6.547 0.000 2.403) 6.975 8.304 ( -0.446 0.000 2.288) 2.331 8.330 ( -4.331 0.000 -7.950) 9.054 8.401 ( 0.988 0.000 -2.128) 2.346 8.804 ( -0.110 0.000 -3.784) 3.786 8.854 ( -7.231 0.000 5.094) 8.845 8.901 ( 14.515 0.000 4.912) 15.324 9.080 ( 5.942 0.000 0.013) 5.942 9.145 ( 8.328 0.000 3.945) 9.215 9.185 ( -3.479 0.000 -3.442) 4.894 9.211 ( 10.210 0.000 -12.439) 16.092 9.250 ( -9.883 0.000 -2.722) 10.251 9.262 ( -9.916 0.000 -4.436) 10.863 9.356 ( 11.171 0.000 -3.442) 11.689 9.556 ( 4.457 0.000 12.709) 13.468 9.608 ( -2.732 0.000 1.577) 3.154 9.748 ( -2.876 0.000 -2.526) 3.828 9.976 ( 4.712 0.000 5.775) 7.454 10.012 ( -4.777 0.000 3.255) 5.780 10.119 ( 1.955 0.000 -5.468) 5.807 10.325 ( -0.581 0.000 -1.495) 1.604 10.328 ( -3.458 0.000 1.043) 3.612 10.413 ( -4.343 0.000 8.801) 9.814 10.538 ( 2.594 0.000 0.168) 2.600 10.682 ( 4.569 0.000 8.658) 9.789 10.710 ( 2.769 0.000 0.563) 2.825 10.743 ( 2.567 0.000 1.847) 3.162 10.909 ( -0.217 0.000 -0.321) 0.387 10.926 ( -5.788 0.000 1.868) 6.082 11.008 ( -0.578 0.000 -2.799) 2.859 11.025 ( 1.023 0.000 -2.308) 2.525 11.142 ( 1.795 0.000 6.807) 7.040 11.166 ( -9.178 0.000 -10.329) 13.818 11.302 ( 1.404 0.000 -2.034) 2.472 11.356 ( -5.255 0.000 5.698) 7.751 11.475 ( 3.465 0.000 7.827) 8.559 11.503 ( -1.777 0.000 6.340) 6.584 11.604 ( -6.647 0.000 -2.520) 7.109 11.660 ( 4.145 0.000 -0.011) 4.145 11.712 ( -0.696 0.000 -7.128) 7.162 11.779 ( 0.088 0.000 -6.729) 6.730 11.823 ( 1.534 0.000 -2.293) 2.759 11.868 ( 1.165 0.000 -1.114) 1.612 11.946 ( -0.273 0.000 -3.300) 3.311 12.067 ( -5.979 0.000 2.555) 6.502 12.152 ( 4.174 0.000 -3.328) 5.338 12.235 ( -3.693 0.000 2.312) 4.356 12.329 ( 0.056 0.000 2.691) 2.691 12.361 ( -2.069 0.000 -0.565) 2.145 12.495 ( -0.808 0.000 6.579) 6.628 12.622 ( 0.641 0.000 3.698) 3.753 12.680 ( 6.413 0.000 -4.954) 8.103 12.702 ( 0.766 0.000 -3.061) 3.155 12.756 ( 2.074 0.000 -4.127) 4.619 12.808 ( 1.896 0.000 0.917) 2.106 12.856 ( 0.613 0.000 -0.008) 0.613 12.965 ( -1.069 0.000 7.385) 7.462 13.037 ( -0.545 0.000 6.322) 6.345 13.095 ( 1.396 0.000 -8.418) 8.533 13.266 ( -0.022 0.000 -1.508) 1.508 13.279 ( 5.229 0.000 8.746) 10.190 13.488 ( -5.209 0.000 6.068) 7.997 13.704 ( 0.497 0.000 -1.001) 1.117 13.735 ( -5.669 0.000 -15.927) 16.906 13.747 ( 0.149 0.000 -0.236) 0.279 13.967 ( -0.377 0.000 -2.456) 2.485 14.015 ( 3.197 0.000 1.897) 3.717 14.195 ( -3.694 0.000 -3.180) 4.875 14.299 ( 0.212 0.000 2.048) 2.059 14.409 ( 3.194 0.000 5.905) 6.714 14.502 ( -4.088 0.000 -1.446) 4.336 14.556 ( 1.121 0.000 -0.930) 1.456 14.732 ( -3.103 0.000 5.078) 5.951 14.761 ( 4.829 0.000 3.383) 5.896 14.966 ( 2.933 0.000 -7.586) 8.134 14.970 ( 6.494 0.000 10.126) 12.029 15.134 ( 2.368 0.000 -1.221) 2.664 15.186 ( -8.854 0.000 -10.464) 13.707 15.757 ( -0.202 0.000 6.381) 6.384 15.812 ( -0.180 0.000 2.423) 2.430 15.972 ( -5.958 0.000 3.021) 6.680 16.055 ( 2.621 0.000 -7.755) 8.186 16.090 ( 3.669 0.000 -6.803) 7.730 16.267 ( -4.873 0.000 2.203) 5.348 16.306 ( -1.176 0.000 0.537) 1.293 16.380 ( 1.854 0.000 -0.200) 1.865 16.458 ( -9.690 0.000 5.807) 11.297 16.601 ( 13.125 0.000 -8.528) 15.652 16.762 ( -0.288 0.000 0.517) 0.592 16.879 ( 0.476 0.000 2.181) 2.233 16.977 ( -3.805 0.000 -3.744) 5.338 17.037 ( 2.799 0.000 -0.835) 2.921 17.108 ( 0.191 0.000 -0.131) 0.232 17.206 ( -0.490 0.000 0.288) 0.568 17.285 ( -1.507 0.000 -0.620) 1.629 17.622 ( -3.915 0.000 -0.403) 3.936 17.662 ( -0.378 0.000 0.326) 0.499 17.843 ( -0.491 0.000 0.853) 0.984 18.151 ( -4.131 0.000 3.831) 5.634 18.246 ( -2.437 0.000 1.972) 3.135 19.302 ( 3.802 0.000 -0.437) 3.827 19.480 ( 1.547 0.000 -1.055) 1.872 19.585 ( 5.890 0.000 1.652) 6.117 19.727 ( 2.423 0.000 -0.312) 2.443 21.755 ( 0.458 0.000 -0.592) 0.748 22.005 ( -0.494 0.000 0.273) 0.565 22.795 ( -5.806 0.000 5.109) 7.734 23.037 ( 7.869 0.000 -5.135) 9.397 23.930 ( -1.050 0.000 2.077) 2.327 23.936 ( 0.020 0.000 -0.033) 0.038 24.119 ( -0.042 0.000 0.084) 0.094 24.346 ( 1.419 0.000 -2.187) 2.607 24.403 ( 0.004 0.000 0.015) 0.015 24.583 ( 0.007 0.000 -0.057) 0.057 24.878 ( -2.290 0.000 0.631) 2.375 24.919 ( 1.068 0.000 -0.659) 1.255 24.982 ( -0.145 0.000 0.772) 0.786 25.247 ( -3.645 0.000 0.366) 3.663 25.824 ( 0.263 0.000 -0.593) 0.649 25.850 ( -0.492 0.000 -0.314) 0.584 ======================= Grid point 91 (42/65) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( 11.922 0.000 34.670) 36.663 2.234 ( 20.350 0.000 33.826) 39.476 2.430 ( 18.627 0.000 -33.133) 38.010 2.600 ( 23.719 0.000 -36.172) 43.255 3.159 ( -30.980 0.000 13.135) 33.650 3.422 ( -28.291 0.000 6.562) 29.042 3.866 ( 17.917 0.000 30.962) 35.772 4.036 ( -10.979 0.000 -7.099) 13.074 4.125 ( 11.494 0.000 -26.612) 28.988 4.407 ( 8.869 0.000 -6.027) 10.723 4.510 ( 24.948 0.000 -10.741) 27.162 4.581 ( -9.388 0.000 -0.306) 9.393 4.601 ( 11.829 0.000 4.347) 12.602 4.922 ( -9.988 0.000 8.338) 13.011 4.951 ( -6.059 0.000 9.351) 11.143 5.077 ( 0.965 0.000 -4.800) 4.896 5.251 ( -19.291 0.000 0.322) 19.294 5.549 ( 1.882 0.000 -4.234) 4.633 5.593 ( 6.124 0.000 5.316) 8.109 5.701 ( -7.317 0.000 0.039) 7.317 5.725 ( 1.865 0.000 -14.619) 14.738 5.839 ( 0.258 0.000 -0.803) 0.843 5.948 ( 1.002 0.000 3.763) 3.894 6.002 ( 2.954 0.000 8.111) 8.632 6.068 ( 1.207 0.000 1.520) 1.940 6.356 ( 2.706 0.000 -8.469) 8.891 6.485 ( -0.414 0.000 1.776) 1.824 6.550 ( 8.833 0.000 2.348) 9.139 6.642 ( -3.765 0.000 -1.455) 4.036 6.656 ( 4.468 0.000 -5.978) 7.463 6.753 ( -4.677 0.000 -6.882) 8.321 6.786 ( 8.331 0.000 5.934) 10.229 6.859 ( -7.444 0.000 1.501) 7.594 6.951 ( -5.835 0.000 -1.925) 6.144 7.059 ( -11.560 0.000 -6.118) 13.079 7.225 ( -10.047 0.000 2.034) 10.250 7.331 ( -8.815 0.000 18.516) 20.507 7.461 ( 2.577 0.000 8.194) 8.590 7.481 ( -4.144 0.000 15.411) 15.959 7.608 ( 3.987 0.000 -6.070) 7.262 7.765 ( -1.396 0.000 -8.609) 8.721 7.794 ( -10.896 0.000 9.197) 14.258 7.956 ( 6.623 0.000 -8.400) 10.697 7.980 ( 7.026 0.000 -6.058) 9.277 8.120 ( -5.792 0.000 -7.865) 9.768 8.214 ( -6.203 0.000 -4.400) 7.605 8.234 ( -1.560 0.000 9.544) 9.671 8.421 ( 10.879 0.000 -9.344) 14.341 8.487 ( 5.230 0.000 0.051) 5.230 8.633 ( -15.433 0.000 9.418) 18.080 8.636 ( -5.474 0.000 -3.046) 6.264 8.888 ( -16.573 0.000 -6.713) 17.881 8.965 ( -1.188 0.000 -14.559) 14.608 9.126 ( 11.034 0.000 -3.924) 11.711 9.254 ( 7.278 0.000 -2.189) 7.600 9.326 ( 8.498 0.000 -6.245) 10.546 9.365 ( 9.720 0.000 5.388) 11.113 9.389 ( 5.790 0.000 1.891) 6.091 9.542 ( -3.571 0.000 -1.683) 3.948 9.664 ( -0.830 0.000 -1.903) 2.076 9.756 ( 4.564 0.000 7.718) 8.967 9.776 ( 23.671 0.000 -10.227) 25.785 9.925 ( -5.026 0.000 -1.685) 5.301 10.131 ( 3.571 0.000 -4.633) 5.850 10.145 ( 5.282 0.000 -0.773) 5.339 10.270 ( -7.002 0.000 2.038) 7.292 10.369 ( 3.331 0.000 7.131) 7.870 10.424 ( 7.837 0.000 6.254) 10.026 10.604 ( 1.351 0.000 -4.830) 5.015 10.651 ( -9.302 0.000 -9.592) 13.361 10.694 ( -3.023 0.000 -1.580) 3.411 10.711 ( -0.898 0.000 1.645) 1.874 10.826 ( -6.628 0.000 7.572) 10.063 10.934 ( 0.832 0.000 -1.836) 2.015 11.023 ( -3.283 0.000 3.562) 4.844 11.023 ( 3.251 0.000 2.093) 3.866 11.113 ( -3.814 0.000 -5.109) 6.376 11.198 ( 0.921 0.000 1.496) 1.757 11.218 ( 9.072 0.000 12.389) 15.356 11.356 ( -10.180 0.000 -2.295) 10.435 11.449 ( 0.663 0.000 7.104) 7.134 11.572 ( 1.215 0.000 5.517) 5.650 11.578 ( -1.305 0.000 3.832) 4.048 11.676 ( 0.918 0.000 -2.541) 2.701 11.679 ( -5.785 0.000 1.690) 6.027 11.770 ( 5.074 0.000 -1.676) 5.344 11.809 ( -4.263 0.000 -1.337) 4.468 11.825 ( 2.907 0.000 -4.327) 5.213 11.979 ( 4.644 0.000 -1.899) 5.017 12.021 ( -1.347 0.000 4.442) 4.642 12.215 ( 4.236 0.000 -1.113) 4.380 12.217 ( 0.141 0.000 5.577) 5.579 12.350 ( -0.986 0.000 1.142) 1.509 12.362 ( -0.118 0.000 3.661) 3.663 12.524 ( -1.048 0.000 2.093) 2.341 12.618 ( -2.517 0.000 2.193) 3.338 12.653 ( -2.285 0.000 -7.091) 7.450 12.656 ( -1.443 0.000 -6.361) 6.523 12.839 ( 0.814 0.000 -2.852) 2.966 12.856 ( -2.006 0.000 12.420) 12.581 12.902 ( 9.955 0.000 -11.753) 15.402 12.983 ( 5.409 0.000 -5.284) 7.562 13.079 ( 1.327 0.000 3.545) 3.785 13.112 ( 0.103 0.000 -4.905) 4.906 13.247 ( -0.624 0.000 -2.165) 2.253 13.276 ( -3.073 0.000 -5.238) 6.073 13.533 ( -0.920 0.000 17.966) 17.989 13.650 ( 6.482 0.000 0.004) 6.482 13.656 ( -1.306 0.000 -0.890) 1.581 13.815 ( 2.969 0.000 -0.776) 3.069 13.953 ( 0.092 0.000 -0.211) 0.231 13.956 ( -8.019 0.000 -7.934) 11.280 14.120 ( -3.812 0.000 8.342) 9.172 14.344 ( 2.363 0.000 1.147) 2.626 14.394 ( -4.709 0.000 -0.804) 4.777 14.485 ( -0.896 0.000 2.712) 2.856 14.578 ( 3.272 0.000 -2.074) 3.874 14.706 ( 3.265 0.000 -2.785) 4.292 14.779 ( -9.658 0.000 -0.140) 9.659 14.930 ( -7.925 0.000 -7.333) 10.797 15.044 ( 13.231 0.000 -3.872) 13.786 15.157 ( 1.562 0.000 10.315) 10.432 15.256 ( 7.605 0.000 -3.727) 8.469 15.631 ( -12.511 0.000 7.730) 14.706 15.793 ( -0.594 0.000 5.010) 5.045 15.923 ( -3.755 0.000 5.993) 7.072 15.964 ( -2.890 0.000 -6.316) 6.946 16.083 ( 1.153 0.000 -8.547) 8.624 16.184 ( -11.045 0.000 9.952) 14.868 16.281 ( -0.496 0.000 -1.114) 1.220 16.426 ( 1.388 0.000 -2.822) 3.145 16.486 ( 9.782 0.000 -0.683) 9.806 16.731 ( 3.805 0.000 -7.761) 8.644 16.762 ( -0.201 0.000 0.654) 0.684 16.864 ( -4.795 0.000 0.864) 4.873 16.935 ( 0.252 0.000 2.037) 2.053 17.003 ( -2.524 0.000 -2.024) 3.235 17.121 ( 1.106 0.000 -0.461) 1.198 17.207 ( -2.470 0.000 -1.048) 2.683 17.209 ( 0.316 0.000 1.312) 1.350 17.432 ( -8.430 0.000 4.068) 9.360 17.781 ( 1.628 0.000 -2.478) 2.965 17.855 ( 0.672 0.000 1.169) 1.349 18.214 ( 11.527 0.000 9.608) 15.007 18.416 ( 7.017 0.000 10.963) 13.017 19.286 ( -2.760 0.000 -5.457) 6.115 19.490 ( 0.145 0.000 -2.233) 2.238 19.558 ( -4.765 0.000 -3.792) 6.090 19.765 ( 5.316 0.000 -14.924) 15.842 21.753 ( 0.058 0.000 -1.029) 1.030 22.018 ( 0.974 0.000 0.841) 1.287 22.735 ( -2.931 0.000 6.876) 7.475 23.179 ( 9.402 0.000 -9.835) 13.606 23.937 ( -0.028 0.000 2.674) 2.674 23.938 ( 0.148 0.000 -0.046) 0.155 24.119 ( -0.086 0.000 0.103) 0.134 24.305 ( -3.795 0.000 -1.182) 3.975 24.403 ( 0.045 0.000 -0.004) 0.046 24.581 ( -0.083 0.000 -0.027) 0.088 24.838 ( -2.002 0.000 3.143) 3.727 24.933 ( 0.464 0.000 -0.901) 1.013 25.031 ( 4.230 0.000 0.175) 4.234 25.208 ( -3.145 0.000 7.486) 8.120 25.684 ( -6.125 0.000 -1.271) 6.255 25.897 ( -0.643 0.000 -1.263) 1.417 ======================= Grid point 92 (43/65) ======================= q-point: ( 0.40 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.532 ( 3.206 0.000 8.788) 9.354 2.541 ( -27.639 0.000 18.501) 33.260 2.620 ( 18.899 0.000 6.165) 19.879 2.869 ( 18.323 0.000 -8.073) 20.022 2.973 ( -7.901 0.000 -1.047) 7.970 3.014 ( 25.728 0.000 4.986) 26.206 3.662 ( -15.076 0.000 -18.215) 23.645 4.104 ( 11.362 0.000 -34.025) 35.872 4.217 ( -17.036 0.000 -9.217) 19.370 4.419 ( -28.268 0.000 1.815) 28.326 4.509 ( 3.633 0.000 -2.156) 4.225 4.684 ( 19.106 0.000 24.727) 31.248 4.805 ( 4.538 0.000 3.081) 5.485 4.878 ( -6.802 0.000 8.160) 10.623 4.896 ( 15.931 0.000 1.163) 15.973 5.024 ( -4.959 0.000 10.110) 11.260 5.089 ( 2.230 0.000 -2.090) 3.056 5.536 ( -0.846 0.000 -4.949) 5.021 5.573 ( -4.415 0.000 0.974) 4.521 5.739 ( 2.500 0.000 -6.414) 6.883 5.767 ( 4.901 0.000 5.620) 7.457 5.901 ( 4.919 0.000 -0.479) 4.942 5.940 ( -8.561 0.000 2.400) 8.891 6.037 ( 4.215 0.000 -1.457) 4.460 6.099 ( 0.999 0.000 5.073) 5.171 6.380 ( 3.048 0.000 -4.923) 5.790 6.398 ( -6.611 0.000 -3.907) 7.679 6.504 ( -4.587 0.000 -7.933) 9.164 6.509 ( -4.857 0.000 -4.611) 6.697 6.650 ( 0.244 0.000 1.139) 1.165 6.757 ( -4.009 0.000 2.273) 4.608 6.848 ( -2.403 0.000 -0.152) 2.408 6.863 ( -5.002 0.000 -4.179) 6.518 6.911 ( 10.417 0.000 1.534) 10.529 6.940 ( 7.664 0.000 5.509) 9.438 7.317 ( 13.970 0.000 7.074) 15.659 7.414 ( -2.423 0.000 9.054) 9.372 7.463 ( -6.923 0.000 9.423) 11.693 7.479 ( -2.361 0.000 2.191) 3.221 7.598 ( -11.519 0.000 12.943) 17.327 7.626 ( -6.712 0.000 -0.193) 6.715 7.693 ( 7.510 0.000 -4.153) 8.582 7.863 ( -3.497 0.000 -2.291) 4.180 7.923 ( -6.765 0.000 -12.583) 14.287 8.065 ( 3.206 0.000 -6.551) 7.293 8.149 ( 7.235 0.000 -6.558) 9.765 8.319 ( -16.192 0.000 -1.831) 16.295 8.428 ( 7.232 0.000 -14.358) 16.077 8.520 ( 7.444 0.000 7.342) 10.456 8.579 ( -3.263 0.000 0.245) 3.272 8.581 ( 1.387 0.000 1.343) 1.930 8.657 ( 0.156 0.000 6.811) 6.812 8.936 ( 4.970 0.000 -2.647) 5.631 9.282 ( -3.629 0.000 1.858) 4.077 9.310 ( 7.953 0.000 -8.380) 11.552 9.354 ( 0.787 0.000 -10.250) 10.280 9.466 ( -1.708 0.000 -0.807) 1.889 9.505 ( 3.472 0.000 3.733) 5.097 9.557 ( 6.254 0.000 -1.488) 6.429 9.633 ( -1.119 0.000 -2.090) 2.370 9.754 ( -7.379 0.000 -7.463) 10.495 9.903 ( -3.864 0.000 -10.167) 10.877 9.920 ( 3.401 0.000 10.122) 10.678 10.082 ( -5.346 0.000 -7.371) 9.106 10.165 ( 3.127 0.000 -6.447) 7.165 10.256 ( 4.314 0.000 3.135) 5.333 10.413 ( -5.699 0.000 -7.288) 9.252 10.496 ( -8.833 0.000 9.944) 13.300 10.549 ( 3.369 0.000 -4.424) 5.561 10.598 ( 2.856 0.000 4.086) 4.985 10.630 ( 4.884 0.000 -1.276) 5.048 10.753 ( 2.076 0.000 4.852) 5.278 10.843 ( -1.333 0.000 7.980) 8.091 10.939 ( 0.994 0.000 -1.035) 1.435 11.020 ( 4.149 0.000 1.399) 4.379 11.121 ( -2.641 0.000 1.152) 2.882 11.128 ( 2.053 0.000 1.893) 2.792 11.156 ( 0.395 0.000 -1.544) 1.594 11.215 ( 1.421 0.000 0.284) 1.450 11.437 ( -2.458 0.000 3.091) 3.949 11.459 ( -1.552 0.000 2.196) 2.689 11.543 ( -2.666 0.000 2.504) 3.658 11.569 ( 3.538 0.000 6.899) 7.753 11.667 ( -0.447 0.000 3.483) 3.512 11.722 ( 0.306 0.000 6.297) 6.304 11.741 ( -1.953 0.000 -1.407) 2.407 11.843 ( 2.911 0.000 -6.375) 7.008 11.869 ( 4.502 0.000 2.854) 5.330 12.040 ( 2.411 0.000 -3.604) 4.336 12.068 ( 2.960 0.000 5.195) 5.979 12.242 ( -5.494 0.000 -1.573) 5.715 12.287 ( -0.868 0.000 3.581) 3.685 12.322 ( -0.733 0.000 3.605) 3.678 12.375 ( -0.305 0.000 3.515) 3.528 12.541 ( 3.381 0.000 -2.749) 4.358 12.544 ( -3.015 0.000 -6.155) 6.853 12.579 ( 1.047 0.000 0.085) 1.051 12.588 ( -0.665 0.000 -3.870) 3.927 12.803 ( -0.778 0.000 -3.687) 3.768 12.888 ( -0.027 0.000 6.931) 6.931 12.909 ( -0.848 0.000 -4.049) 4.137 12.990 ( -5.067 0.000 3.124) 5.953 13.118 ( 3.629 0.000 -2.434) 4.370 13.128 ( -1.514 0.000 4.411) 4.663 13.214 ( 1.935 0.000 -6.279) 6.570 13.324 ( 8.994 0.000 -8.396) 12.303 13.643 ( -12.524 0.000 -5.454) 13.660 13.662 ( 1.851 0.000 0.987) 2.097 13.682 ( 5.917 0.000 9.509) 11.200 13.806 ( -2.213 0.000 -2.988) 3.718 13.892 ( 8.962 0.000 6.999) 11.371 13.965 ( 1.247 0.000 -0.488) 1.339 14.090 ( -8.021 0.000 8.216) 11.483 14.317 ( -1.729 0.000 -0.264) 1.749 14.375 ( -0.474 0.000 1.717) 1.781 14.396 ( -6.027 0.000 -7.460) 9.590 14.583 ( -1.575 0.000 2.720) 3.143 14.658 ( 1.373 0.000 -0.738) 1.559 14.816 ( 2.236 0.000 -1.896) 2.931 14.834 ( 5.729 0.000 -2.374) 6.201 15.106 ( -10.324 0.000 2.727) 10.678 15.225 ( 5.844 0.000 -2.378) 6.309 15.312 ( -0.632 0.000 -0.610) 0.878 15.590 ( 0.660 0.000 10.536) 10.556 15.807 ( -1.915 0.000 5.838) 6.144 15.868 ( -4.637 0.000 2.220) 5.141 15.984 ( 7.180 0.000 -0.123) 7.181 16.013 ( 0.423 0.000 -7.994) 8.006 16.088 ( -6.257 0.000 8.638) 10.666 16.256 ( -1.615 0.000 -2.002) 2.572 16.362 ( -2.611 0.000 -7.030) 7.499 16.577 ( -3.340 0.000 -7.443) 8.158 16.654 ( 2.633 0.000 -3.460) 4.347 16.764 ( -0.101 0.000 0.648) 0.655 16.813 ( -0.974 0.000 -1.438) 1.737 16.867 ( -3.021 0.000 -3.560) 4.669 17.047 ( 1.159 0.000 5.988) 6.099 17.133 ( 0.359 0.000 -0.522) 0.634 17.190 ( 2.941 0.000 -4.883) 5.700 17.241 ( 1.092 0.000 1.899) 2.191 17.348 ( -2.980 0.000 4.660) 5.531 17.733 ( -1.407 0.000 -5.595) 5.769 17.876 ( 0.222 0.000 1.204) 1.224 18.558 ( 4.492 0.000 15.840) 16.465 18.718 ( 11.826 0.000 23.833) 26.606 19.086 ( -8.194 0.000 -11.669) 14.258 19.428 ( -1.539 0.000 -0.635) 1.665 19.530 ( 0.557 0.000 -0.215) 0.597 19.670 ( 3.151 0.000 -30.923) 31.083 21.745 ( 0.017 0.000 -1.115) 1.115 22.039 ( 0.322 0.000 0.643) 0.719 22.799 ( 1.597 0.000 10.601) 10.720 23.221 ( 3.039 0.000 -12.744) 13.102 23.940 ( 0.095 0.000 -0.048) 0.106 23.968 ( 0.568 0.000 2.854) 2.910 24.118 ( -0.065 0.000 0.106) 0.124 24.214 ( -4.119 0.000 1.640) 4.433 24.404 ( 0.026 0.000 -0.008) 0.027 24.580 ( -0.038 0.000 -0.018) 0.042 24.845 ( -0.164 0.000 3.503) 3.507 24.925 ( -0.176 0.000 -1.635) 1.644 25.112 ( 2.052 0.000 -0.770) 2.191 25.259 ( 1.964 0.000 12.364) 12.519 25.588 ( -2.292 0.000 -2.288) 3.238 25.802 ( -4.403 0.000 -6.089) 7.514 ======================= Grid point 93 (44/65) ======================= q-point: (-0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( -32.851 0.000 21.226) 39.112 2.162 ( -27.894 0.000 32.481) 42.815 3.059 ( 8.108 0.000 -9.736) 12.670 3.134 ( 12.621 0.000 -14.448) 19.184 3.187 ( 2.559 0.000 -18.426) 18.602 3.290 ( 20.035 0.000 8.397) 21.723 3.363 ( -32.765 0.000 18.588) 37.671 3.486 ( -8.582 0.000 -18.491) 20.385 3.958 ( 6.379 0.000 11.867) 13.473 4.498 ( -3.944 0.000 -0.857) 4.036 4.613 ( 23.950 0.000 -12.253) 26.902 4.778 ( -8.401 0.000 0.845) 8.444 4.803 ( -7.379 0.000 7.032) 10.193 4.848 ( -1.889 0.000 5.517) 5.832 5.070 ( 8.216 0.000 -9.743) 12.745 5.114 ( 1.665 0.000 -2.548) 3.044 5.309 ( 1.992 0.000 11.098) 11.275 5.419 ( -6.157 0.000 -3.692) 7.180 5.553 ( 0.635 0.000 2.876) 2.946 5.572 ( -8.656 0.000 1.876) 8.857 5.832 ( -1.068 0.000 -0.155) 1.079 5.905 ( -1.973 0.000 -1.574) 2.524 6.006 ( -4.134 0.000 1.084) 4.274 6.039 ( 13.165 0.000 -4.359) 13.868 6.203 ( 3.807 0.000 -2.507) 4.559 6.274 ( -1.144 0.000 1.210) 1.665 6.325 ( -7.030 0.000 -1.539) 7.197 6.436 ( 2.330 0.000 2.177) 3.189 6.463 ( 5.611 0.000 -3.058) 6.390 6.713 ( 4.908 0.000 -2.328) 5.432 6.772 ( 0.448 0.000 0.040) 0.450 6.813 ( 5.693 0.000 0.604) 5.725 6.858 ( 3.981 0.000 -0.662) 4.035 6.942 ( -9.728 0.000 -0.030) 9.728 7.081 ( -3.104 0.000 -5.233) 6.085 7.348 ( -10.747 0.000 7.139) 12.902 7.395 ( 9.665 0.000 6.393) 11.588 7.432 ( -2.329 0.000 3.821) 4.475 7.481 ( 2.970 0.000 -0.535) 3.018 7.657 ( 1.755 0.000 8.597) 8.774 7.742 ( 2.547 0.000 -9.718) 10.047 7.755 ( 4.626 0.000 -8.278) 9.482 7.812 ( 11.609 0.000 0.493) 11.620 7.933 ( 2.905 0.000 17.973) 18.206 8.062 ( 1.475 0.000 -11.043) 11.141 8.084 ( -2.364 0.000 0.227) 2.375 8.257 ( 2.820 0.000 -27.676) 27.820 8.317 ( 14.503 0.000 -4.373) 15.148 8.536 ( -3.132 0.000 4.163) 5.210 8.576 ( -2.108 0.000 3.713) 4.269 8.764 ( 6.209 0.000 0.521) 6.230 8.769 ( -8.273 0.000 -4.104) 9.235 8.952 ( 3.276 0.000 -0.609) 3.332 9.139 ( -12.402 0.000 3.323) 12.839 9.275 ( -0.877 0.000 -6.509) 6.568 9.316 ( -1.288 0.000 -3.244) 3.490 9.438 ( -2.116 0.000 1.764) 2.755 9.490 ( -6.115 0.000 3.296) 6.947 9.537 ( -3.168 0.000 0.441) 3.199 9.612 ( -1.088 0.000 -2.816) 3.019 9.665 ( 4.676 0.000 -2.034) 5.100 9.859 ( 1.744 0.000 8.570) 8.745 9.945 ( 0.245 0.000 -3.955) 3.963 10.000 ( -3.554 0.000 7.748) 8.525 10.129 ( -0.435 0.000 -8.101) 8.112 10.304 ( -3.090 0.000 -1.099) 3.279 10.326 ( -0.254 0.000 -0.051) 0.259 10.443 ( -3.099 0.000 7.893) 8.480 10.542 ( -3.425 0.000 2.694) 4.357 10.618 ( -2.614 0.000 2.431) 3.570 10.663 ( 0.493 0.000 -3.543) 3.577 10.810 ( 1.009 0.000 0.133) 1.018 10.928 ( 3.467 0.000 5.948) 6.885 10.929 ( -2.139 0.000 -0.100) 2.141 11.052 ( -2.864 0.000 -6.306) 6.926 11.089 ( 1.590 0.000 3.737) 4.061 11.138 ( 1.746 0.000 2.797) 3.297 11.158 ( -2.879 0.000 -0.954) 3.033 11.287 ( 3.352 0.000 -4.494) 5.606 11.429 ( -3.790 0.000 2.250) 4.407 11.444 ( 5.215 0.000 0.008) 5.216 11.563 ( 2.051 0.000 -1.200) 2.376 11.686 ( -1.077 0.000 -1.337) 1.717 11.689 ( 2.193 0.000 5.609) 6.022 11.696 ( 1.948 0.000 1.343) 2.366 11.779 ( 1.097 0.000 -0.056) 1.098 11.841 ( 1.128 0.000 -4.498) 4.638 11.916 ( -2.186 0.000 -0.506) 2.244 11.994 ( -2.585 0.000 -5.387) 5.976 12.125 ( -4.500 0.000 2.316) 5.061 12.190 ( 2.384 0.000 5.715) 6.192 12.281 ( -3.474 0.000 1.586) 3.819 12.317 ( 4.300 0.000 2.478) 4.963 12.363 ( -2.941 0.000 3.574) 4.628 12.470 ( -0.414 0.000 -2.364) 2.400 12.583 ( 3.199 0.000 -2.025) 3.786 12.590 ( 4.447 0.000 -3.452) 5.630 12.658 ( 5.161 0.000 -4.837) 7.073 12.768 ( -0.985 0.000 -0.806) 1.272 12.849 ( -9.434 0.000 1.358) 9.532 12.891 ( -3.559 0.000 5.140) 6.252 12.992 ( -3.176 0.000 3.195) 4.505 13.073 ( -5.616 0.000 5.001) 7.520 13.088 ( 1.865 0.000 1.167) 2.200 13.242 ( 3.799 0.000 -5.052) 6.321 13.280 ( -6.287 0.000 -5.850) 8.588 13.586 ( 9.389 0.000 -0.453) 9.400 13.707 ( -1.305 0.000 -2.378) 2.712 13.750 ( 2.021 0.000 1.435) 2.479 13.753 ( -10.071 0.000 0.764) 10.100 13.984 ( 1.375 0.000 -2.129) 2.534 13.992 ( 4.202 0.000 3.199) 5.281 14.157 ( 11.451 0.000 2.504) 11.722 14.278 ( -2.417 0.000 -0.422) 2.453 14.331 ( 1.400 0.000 1.653) 2.166 14.369 ( -1.695 0.000 2.336) 2.886 14.617 ( -4.546 0.000 2.501) 5.188 14.619 ( 1.331 0.000 -2.623) 2.942 14.788 ( -1.689 0.000 0.735) 1.842 14.825 ( -7.029 0.000 -1.251) 7.139 15.137 ( 13.705 0.000 -0.153) 13.705 15.173 ( -9.805 0.000 2.518) 10.123 15.302 ( -1.008 0.000 0.201) 1.028 15.751 ( 5.389 0.000 12.079) 13.226 15.793 ( -1.033 0.000 -6.021) 6.109 15.800 ( -3.628 0.000 5.321) 6.440 15.977 ( 2.464 0.000 -4.107) 4.789 16.084 ( -1.403 0.000 -9.046) 9.154 16.114 ( 3.531 0.000 7.389) 8.190 16.218 ( 3.647 0.000 6.262) 7.246 16.306 ( 1.898 0.000 -5.704) 6.011 16.522 ( -0.056 0.000 1.744) 1.745 16.603 ( -2.963 0.000 -7.702) 8.252 16.766 ( -0.202 0.000 0.505) 0.544 16.791 ( 1.185 0.000 2.584) 2.843 16.834 ( -0.396 0.000 -0.872) 0.957 17.113 ( 2.491 0.000 2.141) 3.285 17.129 ( -0.500 0.000 -0.078) 0.506 17.204 ( 1.930 0.000 -6.821) 7.089 17.256 ( -0.854 0.000 0.550) 1.015 17.392 ( 4.829 0.000 1.014) 4.934 17.682 ( 0.169 0.000 -2.012) 2.019 17.877 ( -0.912 0.000 1.055) 1.395 18.669 ( -9.948 0.000 16.264) 19.065 18.733 ( -13.414 0.000 10.469) 17.016 19.228 ( 17.372 0.000 5.001) 18.077 19.372 ( -4.124 0.000 -18.351) 18.809 19.462 ( 2.494 0.000 -18.438) 18.606 19.536 ( 0.253 0.000 -0.543) 0.599 21.740 ( 0.273 0.000 -0.691) 0.743 22.043 ( -0.204 0.000 0.258) 0.329 22.896 ( -1.508 0.000 9.401) 9.521 23.118 ( -2.706 0.000 -11.244) 11.565 23.940 ( -0.073 0.000 -0.038) 0.082 23.975 ( -1.895 0.000 2.030) 2.777 24.118 ( 0.003 0.000 0.092) 0.092 24.207 ( 1.980 0.000 2.450) 3.150 24.404 ( -0.037 0.000 0.004) 0.038 24.580 ( 0.085 0.000 -0.041) 0.094 24.874 ( 0.251 0.000 3.159) 3.169 24.906 ( -0.055 0.000 -2.169) 2.169 25.095 ( -3.022 0.000 1.014) 3.188 25.441 ( 6.052 0.000 -3.048) 6.776 25.526 ( -1.767 0.000 6.174) 6.422 25.730 ( 3.377 0.000 -3.324) 4.738 ======================= Grid point 94 (45/65) ======================= q-point: (-0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( -27.227 0.000 33.084) 42.847 1.841 ( -30.033 0.000 36.269) 47.089 2.719 ( -6.365 0.000 -33.755) 34.350 2.836 ( -21.870 0.000 28.284) 35.753 2.923 ( -16.496 0.000 4.950) 17.223 3.506 ( 24.343 0.000 -20.360) 31.736 3.605 ( 24.875 0.000 -10.331) 26.936 3.814 ( 18.461 0.000 12.688) 22.401 4.328 ( -2.799 0.000 11.877) 12.202 4.338 ( -11.473 0.000 0.947) 11.512 4.515 ( -4.725 0.000 1.787) 5.051 4.645 ( -10.879 0.000 1.363) 10.964 4.766 ( -5.760 0.000 -17.022) 17.971 4.879 ( -0.865 0.000 10.170) 10.206 5.055 ( -3.186 0.000 -4.821) 5.778 5.118 ( 1.332 0.000 -3.528) 3.771 5.237 ( -0.285 0.000 4.564) 4.573 5.416 ( 12.540 0.000 -5.868) 13.845 5.564 ( 0.671 0.000 1.850) 1.969 5.589 ( -2.667 0.000 3.866) 4.697 5.764 ( -0.333 0.000 -3.551) 3.566 5.858 ( -1.218 0.000 -0.416) 1.287 5.954 ( -2.075 0.000 1.986) 2.872 6.183 ( -1.326 0.000 -5.989) 6.134 6.189 ( 4.177 0.000 -8.814) 9.754 6.226 ( -2.426 0.000 1.803) 3.022 6.325 ( 1.370 0.000 6.689) 6.827 6.484 ( -0.224 0.000 5.346) 5.351 6.638 ( 6.249 0.000 3.724) 7.275 6.664 ( -12.198 0.000 -4.103) 12.869 6.777 ( 2.939 0.000 0.756) 3.034 6.859 ( -4.560 0.000 -0.331) 4.572 6.894 ( 7.986 0.000 3.630) 8.773 6.944 ( 6.029 0.000 -8.697) 10.582 7.047 ( 9.181 0.000 -8.633) 12.603 7.271 ( 2.972 0.000 2.082) 3.628 7.418 ( -2.438 0.000 6.082) 6.552 7.535 ( -0.158 0.000 3.632) 3.636 7.608 ( 5.784 0.000 4.021) 7.045 7.689 ( -2.122 0.000 -4.420) 4.902 7.800 ( 8.764 0.000 -12.210) 15.029 7.897 ( 10.972 0.000 -8.170) 13.680 7.914 ( -2.020 0.000 0.308) 2.044 7.930 ( 0.852 0.000 -4.929) 5.002 8.098 ( -3.462 0.000 8.688) 9.352 8.153 ( -0.855 0.000 -10.312) 10.347 8.204 ( 8.638 0.000 -1.164) 8.716 8.463 ( -4.610 0.000 2.912) 5.453 8.483 ( -5.292 0.000 -9.297) 10.698 8.581 ( 5.198 0.000 3.943) 6.524 8.684 ( 17.747 0.000 0.364) 17.750 8.809 ( -5.829 0.000 -0.926) 5.902 8.923 ( 10.544 0.000 -2.660) 10.874 9.026 ( -3.627 0.000 3.868) 5.302 9.221 ( -5.795 0.000 0.496) 5.816 9.222 ( -1.931 0.000 -3.183) 3.723 9.389 ( -2.360 0.000 4.037) 4.676 9.432 ( -2.918 0.000 5.078) 5.857 9.472 ( -7.534 0.000 -3.220) 8.193 9.600 ( -11.970 0.000 7.653) 14.208 9.703 ( 0.054 0.000 -4.507) 4.508 9.860 ( 1.705 0.000 3.818) 4.181 9.861 ( -10.671 0.000 2.847) 11.044 10.047 ( -0.806 0.000 5.897) 5.951 10.105 ( 2.995 0.000 -5.681) 6.422 10.249 ( 2.975 0.000 4.556) 5.441 10.393 ( 1.286 0.000 8.719) 8.814 10.464 ( -6.404 0.000 1.285) 6.531 10.496 ( 2.260 0.000 8.819) 9.104 10.544 ( -3.840 0.000 0.581) 3.884 10.647 ( 0.018 0.000 -2.485) 2.485 10.772 ( -1.796 0.000 -4.121) 4.496 10.907 ( -0.182 0.000 1.219) 1.233 10.944 ( 1.465 0.000 0.511) 1.552 11.052 ( 2.330 0.000 0.116) 2.333 11.058 ( -3.474 0.000 -0.799) 3.564 11.124 ( -3.105 0.000 -9.169) 9.681 11.248 ( 2.190 0.000 -4.965) 5.427 11.263 ( 8.832 0.000 5.896) 10.619 11.415 ( -4.454 0.000 11.488) 12.321 11.498 ( -10.367 0.000 -11.808) 15.713 11.548 ( -3.662 0.000 1.650) 4.016 11.572 ( 4.537 0.000 2.424) 5.144 11.758 ( 1.653 0.000 -6.237) 6.452 11.768 ( -5.545 0.000 -1.520) 5.749 11.770 ( 1.782 0.000 -0.009) 1.782 11.807 ( 2.702 0.000 -0.107) 2.704 11.843 ( 2.300 0.000 -9.064) 9.352 11.954 ( 1.185 0.000 -1.700) 2.072 12.098 ( 1.851 0.000 -1.796) 2.579 12.206 ( -7.322 0.000 -0.438) 7.335 12.260 ( -2.274 0.000 7.671) 8.000 12.296 ( 1.459 0.000 4.252) 4.496 12.424 ( -1.277 0.000 -2.112) 2.468 12.530 ( 4.471 0.000 5.262) 6.905 12.578 ( -4.915 0.000 -5.320) 7.243 12.631 ( -1.622 0.000 -1.631) 2.300 12.668 ( 4.089 0.000 -1.711) 4.432 12.768 ( 0.539 0.000 2.690) 2.744 12.771 ( 4.595 0.000 1.055) 4.714 12.805 ( -6.838 0.000 2.432) 7.258 12.935 ( 0.697 0.000 5.406) 5.450 13.019 ( -3.600 0.000 7.009) 7.880 13.144 ( -0.184 0.000 -6.272) 6.275 13.201 ( -1.198 0.000 3.556) 3.753 13.269 ( 1.667 0.000 -2.927) 3.369 13.534 ( -6.460 0.000 4.467) 7.854 13.668 ( 0.916 0.000 -2.038) 2.235 13.794 ( -1.006 0.000 1.072) 1.470 13.819 ( 7.882 0.000 2.059) 8.146 13.987 ( 0.832 0.000 -2.910) 3.027 14.024 ( -0.169 0.000 -17.002) 17.003 14.231 ( 1.523 0.000 -0.728) 1.688 14.322 ( -4.348 0.000 2.996) 5.280 14.326 ( 0.559 0.000 4.049) 4.087 14.482 ( 7.461 0.000 6.674) 10.010 14.547 ( -1.202 0.000 0.415) 1.271 14.595 ( 1.066 0.000 -0.101) 1.070 14.806 ( 2.952 0.000 4.662) 5.518 14.816 ( 1.795 0.000 2.184) 2.827 14.974 ( -8.326 0.000 -0.680) 8.354 15.215 ( -6.723 0.000 0.864) 6.778 15.340 ( 4.207 0.000 -6.369) 7.633 15.736 ( -4.829 0.000 6.600) 8.178 15.750 ( 2.705 0.000 -4.421) 5.183 15.953 ( 4.877 0.000 3.912) 6.252 16.015 ( 3.824 0.000 -7.585) 8.495 16.042 ( 5.584 0.000 -5.362) 7.741 16.298 ( 1.880 0.000 -2.659) 3.256 16.319 ( 5.688 0.000 10.461) 11.908 16.356 ( 1.906 0.000 3.312) 3.821 16.465 ( 1.282 0.000 -11.896) 11.965 16.569 ( -4.031 0.000 7.265) 8.309 16.764 ( -0.254 0.000 0.417) 0.488 16.842 ( 0.921 0.000 2.654) 2.809 16.888 ( 5.788 0.000 5.114) 7.723 17.115 ( -0.715 0.000 0.061) 0.718 17.115 ( -2.493 0.000 -5.974) 6.473 17.226 ( -1.539 0.000 -0.211) 1.554 17.229 ( 6.348 0.000 -4.544) 7.807 17.508 ( 6.483 0.000 -3.249) 7.251 17.735 ( 4.251 0.000 1.504) 4.509 17.859 ( -1.432 0.000 0.809) 1.645 18.343 ( -18.701 0.000 1.415) 18.754 18.582 ( -17.289 0.000 -6.940) 18.630 19.153 ( 1.477 0.000 3.132) 3.462 19.426 ( 1.669 0.000 1.481) 2.232 19.530 ( 0.198 0.000 -0.502) 0.540 19.594 ( 9.637 0.000 3.503) 10.254 21.746 ( 0.639 0.000 -0.365) 0.736 22.029 ( -1.277 0.000 -0.227) 1.297 22.855 ( -3.704 0.000 0.127) 3.706 23.016 ( -2.852 0.000 0.537) 2.902 23.937 ( -0.116 0.000 -0.028) 0.119 23.946 ( -1.965 0.000 1.787) 2.656 24.119 ( 0.013 0.000 0.078) 0.079 24.291 ( 4.113 0.000 0.365) 4.129 24.403 ( -0.048 0.000 0.019) 0.051 24.582 ( 0.110 0.000 -0.065) 0.128 24.888 ( 0.281 0.000 -0.718) 0.771 24.907 ( 0.619 0.000 0.689) 0.926 25.027 ( -3.594 0.000 -0.085) 3.595 25.348 ( -3.953 0.000 -5.912) 7.112 25.686 ( 8.319 0.000 -0.528) 8.336 25.854 ( 4.915 0.000 2.769) 5.642 ======================= Grid point 95 (46/65) ======================= q-point: ( 0.00 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( 2.376 19.982 33.810) 39.345 2.088 ( -9.337 31.114 32.321) 45.825 2.634 ( 0.230 14.143 -33.048) 35.948 2.767 ( 10.316 22.722 -31.832) 40.447 3.310 ( -2.277 16.927 59.844) 62.234 3.823 ( -15.174 2.908 -1.801) 15.555 3.995 ( 5.444 5.846 -2.088) 8.257 4.078 ( -3.241 12.564 -1.143) 13.026 4.184 ( 6.679 1.506 -3.279) 7.592 4.312 ( 9.768 10.519 4.501) 15.044 4.444 ( -0.670 4.960 -35.227) 35.581 4.549 ( -3.172 8.196 -7.583) 11.608 4.692 ( 2.529 1.329 3.905) 4.839 4.909 ( -6.202 -2.781 13.208) 14.855 5.037 ( -2.699 6.224 6.299) 9.257 5.130 ( 1.253 -0.100 -6.028) 6.158 5.314 ( 6.149 -2.285 1.015) 6.638 5.528 ( -1.232 0.233 -0.231) 1.275 5.628 ( -0.107 7.156 2.758) 7.670 5.746 ( 6.403 5.772 8.468) 12.084 5.811 ( -2.098 0.957 2.839) 3.658 5.908 ( 2.754 5.678 -4.104) 7.528 6.049 ( -1.721 7.284 -8.348) 11.212 6.082 ( -0.368 4.575 1.409) 4.802 6.175 ( -6.010 5.446 -4.540) 9.294 6.314 ( 1.251 1.059 7.352) 7.533 6.373 ( 2.531 1.592 3.546) 4.639 6.500 ( -1.435 2.571 -6.163) 6.830 6.541 ( 2.301 -4.297 2.296) 5.388 6.659 ( 1.239 -3.110 -2.881) 4.416 6.721 ( 2.049 2.144 -5.409) 6.169 6.824 ( -1.137 -0.635 -4.138) 4.338 6.968 ( 5.744 -3.837 2.996) 7.530 6.977 ( -2.777 -1.273 -5.466) 6.262 7.071 ( -0.459 -8.231 1.644) 8.406 7.311 ( -6.018 -5.633 10.354) 13.235 7.446 ( 0.153 3.996 -2.547) 4.741 7.520 ( -6.861 7.327 3.812) 10.737 7.539 ( -5.637 -3.774 -7.391) 10.032 7.644 ( 3.093 -2.706 -13.206) 13.830 7.732 ( -3.513 -1.093 4.050) 5.472 7.788 ( -0.638 -3.700 -3.357) 5.037 7.954 ( -0.698 0.502 3.019) 3.139 8.006 ( 0.082 8.670 0.941) 8.721 8.103 ( -1.059 -5.032 5.705) 7.680 8.184 ( 2.186 -2.598 -1.087) 3.566 8.329 ( -1.060 -3.807 -0.189) 3.957 8.410 ( 3.346 11.814 -11.267) 16.665 8.543 ( 3.854 14.143 -1.716) 14.759 8.611 ( 3.014 -13.725 -1.956) 14.188 8.838 ( -0.314 -0.031 4.836) 4.846 8.957 ( 0.850 -0.338 -1.893) 2.103 9.037 ( 2.461 -0.279 1.863) 3.099 9.138 ( 7.183 0.086 2.383) 7.569 9.218 ( 9.033 3.925 5.221) 11.147 9.276 ( -4.479 5.607 -7.863) 10.646 9.301 ( -6.448 0.055 -2.138) 6.794 9.343 ( -0.893 6.681 0.355) 6.750 9.431 ( 4.631 10.738 -10.068) 15.431 9.651 ( 2.247 5.346 9.368) 11.018 9.673 ( -1.637 5.432 0.861) 5.739 9.808 ( -1.240 1.978 -1.564) 2.810 9.948 ( 2.511 -1.648 0.455) 3.038 10.061 ( -1.651 5.554 7.729) 9.659 10.233 ( 4.254 7.568 -0.633) 8.705 10.289 ( 2.081 -2.000 4.090) 5.006 10.370 ( -2.270 1.227 2.895) 3.878 10.404 ( -7.841 3.415 -0.692) 8.581 10.504 ( 1.465 -1.413 -0.748) 2.169 10.632 ( 1.557 -4.233 -0.046) 4.510 10.765 ( 0.834 -0.396 2.208) 2.393 10.802 ( 4.272 3.148 1.967) 5.659 10.830 ( 0.433 -4.912 3.907) 6.291 10.944 ( -3.531 2.604 1.623) 4.678 10.990 ( 0.206 -1.207 -1.676) 2.076 11.055 ( 0.273 -1.786 0.611) 1.908 11.109 ( 0.220 -2.792 -7.229) 7.752 11.150 ( -3.995 -1.068 2.316) 4.740 11.293 ( -0.460 -0.117 -0.850) 0.974 11.337 ( -2.914 0.554 -1.565) 3.353 11.400 ( 0.755 -4.654 4.567) 6.564 11.525 ( -2.357 -4.569 -3.901) 6.454 11.553 ( -4.028 0.113 4.972) 6.400 11.637 ( -0.839 0.459 -1.511) 1.789 11.689 ( 3.052 -1.113 -0.770) 3.338 11.786 ( 0.840 0.481 -2.363) 2.553 11.809 ( 2.210 -2.991 -3.114) 4.850 11.854 ( 1.776 -0.767 -0.936) 2.149 11.991 ( -3.910 3.513 -3.908) 6.550 12.141 ( -3.640 4.376 2.605) 6.261 12.201 ( 2.367 4.527 -1.786) 5.411 12.206 ( -2.159 -1.386 2.569) 3.631 12.272 ( 0.112 -5.114 1.989) 5.488 12.372 ( -2.541 -0.402 -0.568) 2.634 12.415 ( -4.096 -6.445 6.814) 10.234 12.568 ( 3.772 -6.845 -3.401) 8.524 12.627 ( 2.355 -1.224 -0.009) 2.654 12.683 ( 1.108 -3.302 0.566) 3.529 12.756 ( 3.606 0.490 -3.168) 4.825 12.790 ( -1.155 -3.580 3.661) 5.249 12.853 ( 1.320 -5.010 6.836) 8.578 12.898 ( 3.055 2.451 -2.258) 4.521 13.036 ( -1.107 -1.674 -5.337) 5.702 13.084 ( 0.443 -1.286 2.574) 2.911 13.230 ( 1.920 -3.352 -0.054) 3.863 13.299 ( 2.228 -0.273 1.425) 2.658 13.426 ( -3.460 -3.803 3.811) 6.400 13.648 ( -3.455 -3.011 -7.276) 8.599 13.718 ( 0.153 -4.031 -0.323) 4.047 13.760 ( 0.494 2.882 -0.268) 2.937 13.967 ( 2.850 -4.746 3.589) 6.598 14.041 ( -1.294 2.331 -2.092) 3.389 14.083 ( -2.958 -8.953 -6.779) 11.613 14.270 ( -0.597 -2.663 2.528) 3.720 14.349 ( 1.909 -3.825 3.800) 5.720 14.449 ( -0.383 -3.254 -1.722) 3.702 14.617 ( 0.242 2.293 1.407) 2.701 14.702 ( -1.391 -1.822 4.981) 5.483 14.760 ( 3.132 0.781 2.025) 3.811 14.916 ( 0.412 -3.513 -7.011) 7.853 15.036 ( 4.421 4.580 8.738) 10.811 15.127 ( 3.754 -0.361 -2.387) 4.463 15.227 ( -6.739 2.703 -8.855) 11.451 15.684 ( -1.523 -3.900 1.527) 4.456 15.794 ( 4.693 -4.632 3.803) 7.612 15.950 ( -2.150 -2.560 -7.289) 8.019 16.034 ( -2.257 1.036 4.382) 5.037 16.142 ( -1.159 -1.550 -2.915) 3.499 16.244 ( -5.264 1.584 -0.294) 5.505 16.314 ( 5.273 2.228 0.170) 5.727 16.374 ( -1.924 -0.209 2.249) 2.967 16.490 ( -9.574 1.387 5.430) 11.093 16.634 ( 11.757 2.353 -6.225) 13.509 16.770 ( -2.055 0.083 1.138) 2.351 16.891 ( 1.949 2.371 -3.119) 4.376 16.993 ( -2.236 0.979 -2.876) 3.772 17.050 ( 2.289 1.584 -1.050) 2.975 17.071 ( -1.226 -4.859 1.904) 5.360 17.200 ( 0.133 6.229 -0.313) 6.239 17.307 ( 1.137 2.354 -0.400) 2.645 17.436 ( -1.838 -10.658 1.246) 10.887 17.774 ( -0.500 3.605 -0.032) 3.640 17.912 ( -0.272 1.616 0.301) 1.666 18.225 ( -2.317 7.963 2.239) 8.590 18.412 ( -2.987 12.963 1.168) 13.353 19.250 ( 3.796 -5.835 1.751) 7.178 19.383 ( 0.869 -9.518 -2.268) 9.823 19.543 ( 0.861 -1.826 0.488) 2.077 19.610 ( 1.620 -8.611 0.366) 8.770 21.763 ( 0.414 0.738 -0.564) 1.018 22.024 ( -0.357 1.933 0.256) 1.982 22.746 ( -4.749 -4.505 4.403) 7.889 22.996 ( 6.447 -3.700 -3.905) 8.396 23.874 ( -0.819 -4.281 1.418) 4.583 23.925 ( -0.178 -1.536 0.434) 1.606 24.170 ( -0.827 3.973 2.745) 4.900 24.298 ( 0.895 -1.994 -1.970) 2.942 24.461 ( -0.095 5.617 0.041) 5.618 24.636 ( 1.319 3.126 -2.273) 4.083 24.914 ( -0.042 0.049 -0.147) 0.161 24.926 ( -0.244 2.874 -0.110) 2.886 25.009 ( 0.234 1.549 0.572) 1.668 25.266 ( -2.984 2.209 -0.322) 3.726 25.796 ( 1.118 -4.511 0.127) 4.649 25.851 ( -1.584 2.599 -0.738) 3.132 ======================= Grid point 96 (47/65) ======================= q-point: ( 0.20 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.297 ( 7.829 21.058 30.330) 37.744 2.424 ( 17.267 19.691 26.495) 37.254 2.552 ( 16.288 12.411 -29.002) 35.503 2.835 ( 18.305 19.870 -31.193) 41.266 3.245 ( -28.803 8.205 9.231) 31.340 3.556 ( -27.714 11.374 6.518) 30.658 3.962 ( 17.003 9.368 28.783) 34.718 4.157 ( -5.920 10.412 -7.034) 13.890 4.208 ( 6.553 8.688 -21.934) 24.485 4.495 ( 16.550 2.013 -13.241) 21.291 4.508 ( 13.493 -0.041 0.285) 13.496 4.604 ( 2.480 10.384 -0.097) 10.676 4.679 ( 2.432 3.334 -0.630) 4.174 4.908 ( -4.857 -0.758 7.359) 8.850 4.967 ( -9.026 2.220 6.666) 11.439 5.103 ( 1.604 -0.007 -5.220) 5.461 5.338 ( -10.377 6.201 -1.679) 12.205 5.495 ( -2.061 -0.197 1.835) 2.766 5.678 ( 0.229 -0.999 -11.725) 11.770 5.709 ( -2.499 3.130 5.095) 6.481 5.792 ( -1.283 10.730 -0.313) 10.811 5.823 ( -2.577 -0.472 0.058) 2.620 6.002 ( 2.286 8.785 4.125) 9.970 6.115 ( 0.842 3.051 -0.105) 3.167 6.179 ( 2.277 4.929 4.071) 6.786 6.291 ( -3.988 -1.678 0.958) 4.431 6.405 ( -0.954 -2.788 -8.116) 8.634 6.545 ( 1.512 -0.422 0.741) 1.735 6.635 ( 2.415 -3.298 -0.819) 4.169 6.677 ( 7.767 2.203 -3.104) 8.650 6.744 ( 3.453 3.683 -8.664) 10.028 6.838 ( -3.427 0.432 0.903) 3.570 6.882 ( 4.332 3.434 4.806) 7.325 6.907 ( -5.473 -2.916 -1.876) 6.479 7.031 ( -6.479 -3.349 -2.151) 7.604 7.195 ( -6.954 -6.731 7.899) 12.492 7.332 ( -5.415 5.283 4.320) 8.712 7.390 ( -4.716 0.478 4.546) 6.567 7.582 ( -2.114 -0.896 -0.777) 2.424 7.605 ( -0.481 -2.508 9.269) 9.615 7.692 ( -4.915 5.950 11.000) 13.437 7.853 ( 3.647 -0.019 -0.460) 3.676 7.905 ( 1.929 -2.438 -5.689) 6.483 8.048 ( 0.556 -1.422 -5.421) 5.632 8.091 ( -4.445 1.763 -3.507) 5.930 8.166 ( 1.972 -1.202 13.495) 13.691 8.305 ( -4.151 0.333 -2.041) 4.638 8.450 ( 5.006 3.540 -7.963) 10.050 8.510 ( -1.442 4.915 -3.846) 6.406 8.588 ( -3.441 -0.181 -8.484) 9.157 8.712 ( -4.986 3.416 4.889) 7.774 8.873 ( -8.928 0.450 -6.677) 11.158 9.078 ( -4.417 7.521 -8.580) 12.235 9.134 ( 6.297 -0.221 -3.212) 7.073 9.186 ( 6.672 -0.803 -3.605) 7.626 9.337 ( 6.359 1.019 3.647) 7.401 9.456 ( 5.502 6.197 -2.538) 8.667 9.479 ( 6.934 5.284 1.903) 8.923 9.599 ( 2.020 3.716 -1.810) 4.601 9.713 ( 13.312 -0.889 -6.076) 14.660 9.731 ( 0.704 4.963 -5.177) 7.206 9.784 ( 3.492 2.134 7.643) 8.669 9.945 ( -3.623 1.721 -0.712) 4.074 10.110 ( 3.347 1.744 -0.103) 3.775 10.201 ( -9.641 -3.703 0.886) 10.366 10.302 ( 3.541 3.676 -5.163) 7.259 10.386 ( 4.653 3.406 0.905) 5.838 10.443 ( 5.568 2.264 9.709) 11.419 10.561 ( -5.374 -5.683 -4.478) 9.013 10.588 ( 1.458 -1.831 -2.046) 3.109 10.668 ( -12.085 -6.800 0.729) 13.886 10.736 ( -0.681 1.636 0.839) 1.961 10.824 ( -3.072 1.463 -2.314) 4.115 10.934 ( -0.138 0.637 0.106) 0.661 11.013 ( -3.211 -3.232 2.280) 5.094 11.058 ( 2.236 1.695 -1.149) 3.032 11.085 ( 4.955 -0.638 -0.269) 5.003 11.175 ( -0.364 0.154 2.886) 2.913 11.298 ( 4.998 5.329 6.274) 9.630 11.380 ( -0.964 -2.054 0.416) 2.307 11.410 ( -2.905 -0.356 1.991) 3.540 11.514 ( -0.682 -3.684 1.691) 4.111 11.528 ( 4.881 -3.525 7.185) 9.374 11.614 ( -3.282 -4.751 2.750) 6.396 11.705 ( -1.300 3.454 -4.161) 5.562 11.780 ( -2.597 0.498 -1.607) 3.094 11.821 ( 5.225 1.916 -1.653) 5.806 11.880 ( 1.685 -2.660 -5.573) 6.401 11.926 ( -1.929 1.232 4.574) 5.114 12.062 ( -1.931 1.974 1.976) 3.396 12.162 ( -3.207 -2.951 4.376) 6.176 12.253 ( -0.626 -2.986 5.810) 6.562 12.304 ( 1.781 1.630 -2.796) 3.694 12.377 ( 0.759 -2.662 0.180) 2.774 12.404 ( -0.906 -6.483 5.154) 8.331 12.579 ( -0.119 -3.592 -1.526) 3.904 12.663 ( -1.892 -0.656 -1.773) 2.675 12.672 ( 1.395 -0.575 -1.339) 2.017 12.794 ( -1.223 -0.937 4.543) 4.797 12.836 ( -0.236 -6.037 0.300) 6.049 12.871 ( 6.805 -1.951 -8.039) 10.712 12.943 ( -0.447 -2.742 -5.174) 5.872 13.027 ( 6.793 1.264 -8.159) 10.692 13.146 ( -1.214 -3.623 4.185) 5.667 13.218 ( 3.532 -2.383 -1.307) 4.457 13.288 ( -1.620 1.464 -5.373) 5.800 13.501 ( 3.584 -5.142 11.872) 13.425 13.569 ( -0.971 -0.848 -0.799) 1.517 13.680 ( -2.283 -0.850 0.448) 2.477 13.787 ( 0.989 -2.446 -0.595) 2.704 13.894 ( -8.799 -4.240 -5.916) 11.419 14.015 ( -1.398 -7.038 6.488) 9.674 14.040 ( 0.963 1.671 -0.393) 1.968 14.282 ( -0.334 -5.116 2.025) 5.512 14.372 ( -3.509 -2.401 0.583) 4.291 14.431 ( 4.168 -1.356 -1.371) 4.592 14.625 ( -0.224 0.891 -0.421) 1.011 14.739 ( 0.274 0.172 4.099) 4.112 14.776 ( -3.825 3.396 -7.850) 9.369 14.913 ( 1.173 -2.593 -3.234) 4.308 15.070 ( 3.697 3.554 -5.947) 7.853 15.167 ( 2.009 -0.283 4.502) 4.938 15.249 ( 6.666 -0.785 1.069) 6.796 15.588 ( -8.044 -2.767 4.068) 9.429 15.811 ( -3.204 0.442 0.090) 3.235 15.857 ( -0.667 -3.775 -0.686) 3.895 16.013 ( -3.354 2.932 6.549) 7.920 16.095 ( -8.354 -5.664 5.201) 11.355 16.131 ( 1.389 -0.088 -6.030) 6.189 16.326 ( -8.141 4.148 2.653) 9.514 16.421 ( 2.411 2.738 -1.741) 4.042 16.475 ( 8.416 -1.510 2.140) 8.814 16.734 ( -0.783 -0.174 2.098) 2.246 16.822 ( 7.952 1.956 -6.897) 10.706 16.861 ( -4.679 0.224 0.132) 4.686 16.960 ( -0.176 5.087 -1.053) 5.197 17.010 ( -3.073 0.123 -1.098) 3.266 17.061 ( -1.369 -4.879 -0.075) 5.068 17.212 ( 0.271 4.210 -0.852) 4.304 17.240 ( -2.287 3.485 -2.806) 5.025 17.384 ( -3.901 -6.232 4.191) 8.463 17.750 ( -1.902 -0.327 -2.044) 2.812 17.908 ( -0.302 1.237 0.632) 1.422 18.309 ( 9.819 7.255 6.549) 13.854 18.551 ( 6.626 11.751 9.611) 16.564 19.260 ( -1.482 -2.608 -4.258) 5.208 19.424 ( 4.979 -9.428 -5.200) 11.862 19.544 ( -2.084 -1.034 -1.317) 2.673 19.585 ( -0.172 -11.266 -6.020) 12.775 21.759 ( -0.071 0.599 -0.919) 1.099 22.036 ( 0.861 1.780 0.659) 2.084 22.692 ( -2.988 -3.877 6.149) 7.859 23.118 ( 8.237 -5.538 -8.655) 13.169 23.876 ( -0.292 -4.584 2.030) 5.022 23.925 ( -0.244 -1.568 0.491) 1.661 24.174 ( -0.763 4.234 2.544) 4.998 24.280 ( -0.992 -0.766 -2.092) 2.438 24.462 ( 0.053 5.597 0.158) 5.599 24.641 ( 0.958 3.730 -2.794) 4.758 24.884 ( -1.586 2.864 0.766) 3.362 24.937 ( 0.230 0.707 -0.056) 0.746 25.044 ( 2.840 0.387 -0.405) 2.895 25.238 ( -2.054 3.321 6.596) 7.665 25.662 ( -6.889 -1.885 -0.753) 7.182 25.889 ( -0.239 -0.132 -0.507) 0.576 ======================= Grid point 97 (48/65) ======================= q-point: ( 0.40 0.12 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.564 ( -15.953 7.078 12.381) 21.398 2.753 ( 5.771 9.887 8.677) 14.365 2.823 ( 0.103 8.688 -1.923) 8.899 2.884 ( 8.062 19.821 6.111) 22.253 3.131 ( 12.490 11.541 -16.126) 23.436 3.178 ( 11.824 13.361 13.706) 22.499 3.794 ( -13.395 12.221 -18.330) 25.783 4.188 ( -2.153 7.627 -21.910) 23.300 4.327 ( 5.433 8.680 -16.511) 19.429 4.474 ( -28.760 8.503 4.202) 30.284 4.704 ( 13.353 6.865 13.421) 20.138 4.732 ( 2.907 10.655 3.315) 11.531 4.791 ( 3.545 -1.485 0.659) 3.899 4.849 ( 13.718 -2.925 5.602) 15.104 4.926 ( -3.144 -0.607 7.611) 8.258 5.113 ( -3.320 11.465 7.541) 14.119 5.115 ( 2.726 0.965 -3.644) 4.652 5.448 ( -4.419 -4.734 0.663) 6.510 5.635 ( 0.229 -0.932 -5.368) 5.453 5.643 ( -2.055 -3.567 -1.350) 4.332 5.802 ( -1.497 -3.705 1.065) 4.136 5.914 ( 5.508 10.910 2.973) 12.578 6.013 ( -5.599 6.372 3.998) 9.377 6.123 ( -2.247 -2.320 -3.585) 4.825 6.165 ( 0.198 -0.161 -2.202) 2.217 6.244 ( -0.883 4.693 2.908) 5.591 6.348 ( 3.962 -1.749 -7.081) 8.300 6.508 ( -1.695 0.454 -5.483) 5.757 6.619 ( -4.164 4.726 -2.911) 6.939 6.664 ( 1.302 3.108 -1.246) 3.593 6.776 ( -2.507 -2.053 0.680) 3.311 6.818 ( -2.302 2.507 0.048) 3.404 6.869 ( 6.768 -4.132 3.712) 8.755 6.946 ( -2.751 5.050 -1.559) 5.958 7.004 ( 3.350 5.760 -1.551) 6.842 7.308 ( 9.444 -2.963 10.325) 14.303 7.350 ( -10.765 -5.107 2.830) 12.247 7.409 ( 10.043 6.661 8.754) 14.895 7.519 ( -0.037 1.490 7.193) 7.346 7.576 ( 1.245 1.266 5.263) 5.554 7.744 ( -5.027 1.534 -1.090) 5.368 7.829 ( -2.380 4.681 9.406) 10.772 7.862 ( -1.572 10.847 -1.030) 11.009 7.992 ( -8.229 4.178 -10.644) 14.088 8.059 ( -0.135 -1.874 -4.336) 4.726 8.113 ( -0.438 -1.765 -4.235) 4.609 8.334 ( -4.854 1.219 -0.731) 5.058 8.431 ( 7.553 -2.677 -4.391) 9.137 8.511 ( 3.131 -0.816 7.046) 7.753 8.565 ( -0.718 0.976 -1.663) 2.058 8.621 ( 2.232 6.376 -9.391) 11.568 8.741 ( 0.612 7.076 2.821) 7.642 8.997 ( 0.988 4.041 -2.173) 4.693 9.215 ( -0.790 -4.024 -0.736) 4.166 9.306 ( 6.050 0.249 -6.840) 9.135 9.423 ( 1.363 -0.048 -3.448) 3.708 9.486 ( -0.894 5.989 -1.988) 6.373 9.527 ( -0.449 3.106 0.814) 3.242 9.585 ( 4.454 1.909 -4.992) 6.957 9.700 ( -5.408 2.516 -1.456) 6.139 9.786 ( -4.182 4.464 -6.144) 8.670 9.796 ( -3.798 -4.186 -2.725) 6.275 9.933 ( 1.641 -3.685 -3.390) 5.270 10.057 ( -2.216 0.714 3.346) 4.076 10.218 ( 4.293 -3.423 1.990) 5.841 10.295 ( 0.445 4.567 -7.625) 8.899 10.332 ( -7.687 -5.059 -0.053) 9.202 10.439 ( -3.296 -2.481 2.996) 5.098 10.523 ( 1.090 -1.469 -1.204) 2.190 10.613 ( 5.848 -1.597 4.280) 7.421 10.651 ( 3.709 0.691 -1.364) 4.011 10.730 ( -1.089 -0.726 4.341) 4.534 10.868 ( 1.042 -2.355 0.144) 2.579 10.886 ( -0.239 2.883 -2.164) 3.613 10.984 ( -0.706 -3.736 2.051) 4.320 11.105 ( -0.070 -2.394 2.841) 3.716 11.158 ( 2.360 0.653 -2.766) 3.694 11.197 ( 2.190 5.717 3.262) 6.937 11.333 ( -0.462 -0.446 -3.302) 3.363 11.349 ( -3.558 4.891 7.992) 10.022 11.509 ( 2.304 -0.863 3.388) 4.187 11.547 ( 3.909 -2.739 0.604) 4.811 11.588 ( 1.229 -3.748 5.379) 6.670 11.624 ( -4.692 5.476 2.397) 7.599 11.693 ( 1.199 -2.772 2.539) 3.946 11.712 ( 2.324 -1.260 0.496) 2.689 11.830 ( -3.480 1.256 0.379) 3.719 11.906 ( 1.832 -0.159 -3.798) 4.220 11.966 ( 2.476 -6.324 3.607) 7.690 12.082 ( -1.690 -0.990 1.878) 2.713 12.167 ( 1.093 -1.579 1.802) 2.634 12.223 ( -0.689 -4.064 1.210) 4.296 12.326 ( -0.421 -3.470 -0.581) 3.544 12.397 ( 2.404 -2.397 2.759) 4.374 12.421 ( -0.881 -1.918 1.321) 2.490 12.593 ( 1.075 1.454 -3.632) 4.057 12.616 ( 1.698 2.165 -1.826) 3.302 12.662 ( -1.450 2.890 0.149) 3.236 12.755 ( -3.270 -4.630 -0.643) 5.705 12.832 ( 0.046 -8.627 0.182) 8.629 12.875 ( -1.046 -3.398 -5.670) 6.693 12.909 ( 0.141 0.424 3.692) 3.719 13.102 ( -5.109 -3.874 -0.289) 6.418 13.116 ( 4.861 1.346 -6.856) 8.512 13.212 ( 0.640 -1.997 -3.876) 4.407 13.352 ( 7.921 2.337 -5.087) 9.699 13.497 ( -8.645 -8.762 -1.074) 12.356 13.654 ( 1.134 -3.908 11.648) 12.338 13.691 ( 3.387 -3.672 0.614) 5.034 13.748 ( 2.107 -0.103 -1.028) 2.346 13.789 ( -0.350 -3.995 -0.398) 4.030 13.993 ( -4.646 -6.063 4.063) 8.652 14.063 ( 0.086 -0.121 -0.861) 0.874 14.281 ( -1.029 -6.356 2.162) 6.792 14.334 ( -0.505 1.095 1.153) 1.668 14.475 ( -3.108 4.002 -3.350) 6.074 14.547 ( -3.850 -2.052 2.657) 5.109 14.656 ( 1.308 -0.643 -1.087) 1.818 14.769 ( -0.557 1.445 -7.455) 7.614 14.905 ( 5.613 0.531 0.264) 5.644 15.112 ( -5.871 1.083 -0.718) 6.013 15.245 ( 7.629 1.004 -3.286) 8.367 15.343 ( -0.514 2.576 3.539) 4.407 15.556 ( 0.751 -2.601 6.845) 7.360 15.776 ( 0.182 -6.167 -4.754) 7.789 15.818 ( -3.409 2.349 6.675) 7.855 15.992 ( -4.619 -2.979 7.336) 9.166 16.027 ( 0.090 -0.388 1.159) 1.225 16.142 ( 3.572 -2.713 -4.484) 6.342 16.241 ( -2.231 5.877 4.991) 8.027 16.370 ( -3.990 3.577 -3.620) 6.467 16.615 ( 4.109 0.794 -7.992) 9.022 16.680 ( -7.552 4.273 0.222) 8.680 16.751 ( -0.219 -1.135 5.328) 5.452 16.829 ( -2.381 0.681 -5.748) 6.259 16.908 ( 0.165 5.035 -6.029) 7.857 17.004 ( 0.019 -1.732 1.261) 2.143 17.072 ( 1.823 -6.719 1.157) 7.057 17.183 ( 1.201 -2.186 -4.460) 5.110 17.248 ( 1.007 7.530 -0.088) 7.598 17.386 ( 0.010 -1.920 7.855) 8.086 17.670 ( -2.221 -2.854 -6.655) 7.575 17.909 ( -0.364 0.930 1.259) 1.607 18.637 ( 7.948 4.348 13.364) 16.145 18.743 ( 6.838 0.689 13.128) 14.818 19.137 ( -8.813 5.418 -2.645) 10.678 19.438 ( -2.118 0.977 -0.105) 2.335 19.498 ( 6.094 -7.907 -14.506) 17.609 19.536 ( 0.761 -4.982 -9.225) 10.512 21.750 ( -0.030 0.524 -0.972) 1.105 22.055 ( 0.390 1.620 0.564) 1.760 22.742 ( 1.258 -5.147 9.394) 10.786 23.151 ( 2.400 -6.444 -11.585) 13.472 23.893 ( 0.142 -5.340 2.337) 5.830 23.922 ( -0.479 -1.928 0.603) 2.076 24.174 ( -1.624 4.301 3.150) 5.573 24.242 ( -0.320 2.406 -2.219) 3.288 24.465 ( 0.088 5.765 0.158) 5.768 24.631 ( 0.130 4.016 -1.996) 4.487 24.877 ( 0.016 1.959 1.304) 2.353 24.931 ( -0.459 0.834 -0.528) 1.088 25.090 ( 0.929 -2.035 -0.015) 2.237 25.300 ( 2.415 3.690 9.660) 10.619 25.561 ( -2.373 -2.207 -1.469) 3.558 25.817 ( -3.745 1.621 -4.139) 5.812 ======================= Grid point 98 (49/65) ======================= q-point: (-0.40 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( -27.948 10.103 23.465) 37.865 2.313 ( -28.442 12.321 28.560) 42.148 3.121 ( 14.221 6.918 -16.859) 23.116 3.267 ( 23.828 9.130 -17.909) 31.174 3.343 ( 7.578 12.540 -8.624) 17.001 3.390 ( -4.925 17.096 4.808) 18.429 3.579 ( -12.310 9.324 -15.337) 21.765 3.661 ( -15.037 21.116 15.998) 30.462 4.038 ( 0.421 8.065 11.417) 13.985 4.585 ( 6.967 7.995 -4.163) 11.392 4.691 ( -0.450 -2.834 -0.329) 2.888 4.748 ( -3.960 8.102 0.157) 9.019 4.866 ( -5.156 1.869 1.778) 5.766 4.955 ( 1.533 7.795 3.131) 8.539 5.030 ( 9.066 -5.213 -8.217) 13.299 5.143 ( 3.875 2.306 -4.457) 6.340 5.296 ( -7.304 -1.390 13.538) 15.445 5.382 ( -0.715 0.915 -6.171) 6.279 5.508 ( -4.169 -4.642 1.485) 6.414 5.652 ( 2.614 3.579 0.875) 4.518 5.813 ( 2.350 -1.456 0.100) 2.766 5.925 ( -0.832 -0.113 0.191) 0.861 6.015 ( 2.734 4.576 2.569) 5.917 6.118 ( -3.615 4.192 1.611) 5.765 6.135 ( 7.000 -4.149 -5.811) 9.999 6.246 ( -1.653 2.303 2.886) 4.045 6.332 ( -3.415 3.243 -3.100) 5.638 6.461 ( -0.327 2.292 -1.508) 2.762 6.597 ( 4.016 8.180 -0.269) 9.116 6.686 ( 2.939 -0.322 -3.266) 4.405 6.759 ( 0.732 -3.316 -0.708) 3.469 6.801 ( -4.675 -4.612 0.298) 6.574 6.911 ( 7.464 9.416 1.670) 12.131 6.961 ( -1.673 2.354 -2.794) 4.018 7.059 ( -0.306 2.732 -3.962) 4.823 7.303 ( 9.594 -3.683 5.413) 11.615 7.461 ( -10.267 3.128 -2.304) 10.977 7.512 ( 3.133 5.827 3.499) 7.484 7.556 ( -4.667 8.036 2.298) 9.572 7.643 ( -3.616 -0.930 5.274) 6.462 7.741 ( 2.371 -2.142 -3.498) 4.738 7.796 ( 6.563 1.465 -1.256) 6.841 7.839 ( 0.762 1.784 10.786) 10.959 7.937 ( 7.926 9.540 -3.938) 13.013 8.072 ( 5.247 -2.790 -10.703) 12.242 8.159 ( 7.674 4.106 -3.420) 9.351 8.235 ( -0.014 6.159 0.157) 6.161 8.418 ( -1.195 -5.462 -0.896) 5.663 8.497 ( 1.327 3.320 -4.128) 5.461 8.581 ( 1.104 3.905 -5.696) 6.994 8.747 ( -6.658 -0.034 -2.493) 7.110 8.835 ( 2.950 4.719 -2.045) 5.929 8.968 ( 5.985 0.855 0.726) 6.089 9.112 ( -10.283 -1.959 3.279) 10.970 9.301 ( -2.110 -2.188 -5.296) 6.107 9.386 ( -3.482 7.266 -2.800) 8.530 9.410 ( -1.168 -2.551 2.904) 4.038 9.516 ( -2.402 5.841 -0.340) 6.324 9.555 ( -2.267 -0.452 3.385) 4.099 9.602 ( -2.258 2.430 -2.041) 3.894 9.715 ( -0.907 0.823 4.186) 4.361 9.786 ( 4.804 -3.584 4.346) 7.404 9.902 ( 2.206 -0.299 -5.519) 5.952 10.081 ( -3.360 1.908 5.018) 6.333 10.210 ( -5.170 -7.747 3.220) 9.855 10.245 ( -1.932 5.241 -3.591) 6.641 10.306 ( 1.306 -0.180 1.132) 1.738 10.436 ( 0.630 2.691 3.085) 4.142 10.526 ( -0.298 -2.099 -1.266) 2.469 10.631 ( -3.006 -2.580 -1.314) 4.174 10.675 ( -1.361 2.789 0.863) 3.221 10.808 ( 5.866 -7.948 -1.672) 10.019 10.855 ( 1.430 -1.377 0.754) 2.124 10.899 ( -1.522 1.896 -2.438) 3.443 10.997 ( -0.501 0.371 0.308) 0.695 11.091 ( -3.134 -3.950 3.407) 6.086 11.172 ( 1.153 -1.401 2.680) 3.237 11.225 ( -1.389 6.850 0.026) 6.989 11.311 ( 2.821 -2.543 -3.792) 5.367 11.368 ( -0.675 3.042 3.210) 4.474 11.513 ( -4.493 2.734 -1.402) 5.443 11.575 ( 0.417 -6.935 1.585) 7.126 11.621 ( -1.633 0.316 3.146) 3.559 11.688 ( 7.074 2.002 -0.464) 7.367 11.696 ( 0.500 -0.716 0.092) 0.879 11.760 ( -2.730 -3.245 -1.225) 4.414 11.806 ( 1.656 -1.912 -0.494) 2.577 11.884 ( 1.404 -0.632 -2.433) 2.880 12.005 ( -1.477 -4.864 -0.230) 5.088 12.073 ( 4.071 -1.959 5.712) 7.282 12.170 ( -3.249 0.618 1.274) 3.544 12.240 ( -3.553 2.148 -3.712) 5.569 12.359 ( 3.319 -1.195 2.508) 4.329 12.421 ( 5.056 -6.325 -3.104) 8.672 12.440 ( -0.396 0.103 2.306) 2.342 12.544 ( -1.075 6.322 -4.023) 7.570 12.617 ( -2.480 -3.305 -2.014) 4.597 12.663 ( 0.619 -2.253 -0.859) 2.489 12.721 ( -1.861 -4.258 4.376) 6.384 12.816 ( -1.603 -6.968 -1.561) 7.318 12.833 ( -3.353 -1.809 1.846) 4.233 12.913 ( -6.061 -2.450 4.115) 7.725 13.017 ( 2.566 -3.042 4.997) 6.388 13.118 ( 1.086 -0.252 -6.488) 6.583 13.191 ( -0.404 -0.705 -3.087) 3.192 13.295 ( -5.788 -0.688 2.340) 6.281 13.521 ( 7.035 -3.791 -3.009) 8.539 13.689 ( -2.204 -2.676 0.871) 3.575 13.736 ( -3.442 -1.034 0.637) 3.650 13.754 ( 0.070 -1.001 1.101) 1.490 13.812 ( 1.233 -10.481 -1.390) 10.644 14.004 ( 5.378 0.655 2.336) 5.900 14.093 ( 7.408 -8.197 -4.215) 11.826 14.264 ( -2.757 -3.805 4.150) 6.269 14.343 ( -5.563 -3.177 4.394) 7.769 14.374 ( 0.214 3.040 1.472) 3.384 14.578 ( 0.455 3.332 5.519) 6.463 14.673 ( -0.335 -4.355 -4.508) 6.278 14.690 ( 0.760 2.082 -3.539) 4.176 14.950 ( -4.078 3.369 -3.816) 6.522 15.088 ( 6.672 -1.182 1.277) 6.895 15.196 ( -9.114 1.960 1.079) 9.385 15.383 ( 2.801 5.358 -0.197) 6.049 15.645 ( 0.980 -7.302 3.336) 8.088 15.723 ( 0.096 -4.622 -7.374) 8.703 15.868 ( 1.177 3.813 13.064) 13.660 15.968 ( 1.132 -1.792 -2.717) 3.446 16.095 ( 3.691 -1.322 3.508) 5.261 16.139 ( 0.379 -7.036 -5.232) 8.776 16.280 ( -2.275 7.461 0.989) 7.863 16.309 ( 3.421 8.045 2.739) 9.161 16.569 ( 0.558 2.771 4.287) 5.134 16.603 ( -2.222 3.028 -7.815) 8.670 16.778 ( -0.656 1.082 4.288) 4.471 16.808 ( 2.849 -0.085 0.719) 2.939 16.872 ( 0.440 4.368 -5.211) 6.814 17.023 ( 1.559 -6.360 -0.233) 6.553 17.098 ( 0.482 -3.136 -0.409) 3.199 17.184 ( 1.908 -2.770 -4.657) 5.745 17.253 ( -0.364 6.479 -0.443) 6.504 17.491 ( 3.961 2.349 5.083) 6.859 17.570 ( -2.201 -7.006 -4.653) 8.694 17.912 ( -0.313 1.147 1.124) 1.636 18.672 ( -9.881 -3.160 11.227) 15.286 18.870 ( -16.153 12.407 4.881) 20.945 19.103 ( 15.863 -11.575 3.561) 19.957 19.369 ( -2.213 0.823 -10.456) 10.720 19.478 ( 3.664 1.863 -10.410) 11.192 19.531 ( 1.614 0.081 -2.475) 2.956 21.746 ( 0.301 0.598 -0.619) 0.911 22.059 ( -0.276 1.590 0.203) 1.626 22.826 ( -1.335 -6.363 7.746) 10.113 23.054 ( -2.556 -5.767 -9.003) 10.993 23.902 ( -1.031 -5.142 1.405) 5.429 23.920 ( -0.030 -2.445 0.871) 2.596 24.163 ( -1.706 4.228 3.765) 5.913 24.245 ( 1.970 2.786 -2.038) 3.974 24.466 ( -0.036 5.868 0.040) 5.868 24.624 ( 0.427 3.617 -1.204) 3.836 24.893 ( 0.526 0.236 0.199) 0.609 24.919 ( -0.174 2.095 0.187) 2.111 25.075 ( -2.506 -1.886 1.396) 3.433 25.446 ( 4.561 0.488 -4.047) 6.117 25.515 ( -0.878 -1.138 5.144) 5.341 25.769 ( 3.284 3.625 -1.524) 5.123 ======================= Grid point 99 (50/65) ======================= q-point: (-0.20 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( -22.686 16.150 30.471) 41.279 2.147 ( -19.356 21.369 36.015) 46.134 2.918 ( -4.339 13.795 -26.506) 30.194 3.022 ( -14.932 18.806 -18.343) 30.218 3.155 ( -22.028 24.662 37.072) 49.677 3.553 ( 23.230 4.745 -19.847) 30.920 3.721 ( 24.736 8.681 -8.223) 27.475 3.949 ( 17.656 12.288 11.334) 24.315 4.314 ( -9.814 1.541 7.930) 12.711 4.486 ( 2.591 4.089 9.635) 10.783 4.512 ( -14.677 6.979 -1.474) 16.318 4.703 ( -9.457 4.622 -0.834) 10.559 4.760 ( -1.859 0.660 -13.375) 13.520 4.953 ( -4.365 1.079 7.786) 8.992 5.069 ( -2.202 2.397 -12.428) 12.847 5.121 ( 4.031 -1.450 -6.168) 7.510 5.234 ( -4.426 -0.738 9.898) 10.868 5.414 ( 14.654 2.944 1.357) 15.008 5.536 ( 0.225 0.535 1.231) 1.360 5.693 ( -2.689 8.268 5.787) 10.444 5.847 ( 4.276 5.177 -3.930) 7.780 5.870 ( -3.473 3.123 -2.045) 5.099 6.051 ( -2.792 3.760 3.710) 5.975 6.114 ( 1.634 -1.048 -4.179) 4.607 6.229 ( 1.692 0.018 0.998) 1.964 6.266 ( 5.195 -2.460 1.642) 5.978 6.311 ( 0.807 6.362 -1.242) 6.533 6.484 ( 0.055 -3.024 4.355) 5.302 6.603 ( -1.748 4.044 1.263) 4.583 6.697 ( -3.414 0.867 -0.905) 3.637 6.762 ( 4.608 0.138 -1.067) 4.732 6.809 ( -0.940 -4.946 -4.002) 6.431 6.906 ( -3.611 0.311 -3.513) 5.047 6.981 ( 1.849 4.457 -0.970) 4.921 7.042 ( 7.089 -1.360 -6.843) 9.947 7.286 ( 0.171 4.446 -0.407) 4.468 7.464 ( -1.858 2.737 -2.820) 4.347 7.548 ( 8.180 -0.158 -7.658) 11.207 7.608 ( -2.717 -2.606 1.644) 4.108 7.634 ( 2.402 1.612 0.823) 3.008 7.756 ( 4.836 -5.185 -4.929) 8.636 7.824 ( 2.860 -1.284 5.652) 6.463 7.995 ( -0.307 0.801 -4.761) 4.838 8.035 ( 2.663 3.762 3.708) 5.915 8.116 ( 3.766 3.861 -0.994) 5.484 8.121 ( -9.468 3.323 -8.933) 13.434 8.339 ( 6.015 1.148 -2.475) 6.605 8.390 ( 1.277 1.933 5.743) 6.193 8.489 ( -1.479 1.870 -5.764) 6.238 8.528 ( 1.872 -1.298 1.138) 2.546 8.764 ( 12.846 3.063 -2.207) 13.390 8.792 ( -1.257 2.781 -2.692) 4.070 9.002 ( 3.279 5.425 1.811) 6.592 9.052 ( -2.416 1.939 1.208) 3.325 9.181 ( -4.692 -4.121 -1.726) 6.479 9.335 ( -1.844 7.112 1.726) 7.547 9.432 ( -2.397 2.116 1.560) 3.558 9.477 ( -1.608 5.218 5.270) 7.588 9.520 ( -4.569 3.856 2.450) 6.461 9.551 ( -7.439 -0.962 2.229) 7.825 9.753 ( -0.858 3.843 -1.284) 4.142 9.854 ( 1.051 0.600 4.058) 4.234 9.910 ( -5.011 2.327 0.739) 5.574 10.081 ( -1.597 2.667 5.556) 6.366 10.114 ( 1.775 -6.250 5.117) 8.270 10.209 ( 0.876 2.417 -0.431) 2.607 10.368 ( 0.889 0.090 4.619) 4.704 10.467 ( -0.174 1.427 6.536) 6.693 10.541 ( 1.444 1.884 -0.864) 2.526 10.577 ( -2.583 1.349 -2.241) 3.676 10.656 ( 3.722 -0.261 0.445) 3.757 10.812 ( 0.335 -5.643 -2.995) 6.397 10.836 ( -5.500 4.791 -3.812) 8.230 10.953 ( 5.552 -4.302 -1.129) 7.114 10.966 ( -0.013 0.218 2.923) 2.931 11.061 ( -0.340 -3.037 1.321) 3.329 11.137 ( -3.814 0.527 -4.952) 6.273 11.217 ( -0.255 -0.303 -2.152) 2.188 11.336 ( -0.636 2.383 3.375) 4.180 11.393 ( -2.518 -1.679 4.277) 5.239 11.454 ( -2.633 -5.685 0.628) 6.297 11.518 ( -1.323 -2.984 -2.279) 3.981 11.582 ( -1.200 1.836 -0.807) 2.338 11.691 ( -2.099 -2.098 -1.413) 3.288 11.721 ( 1.424 -4.002 -6.165) 7.487 11.749 ( -0.744 -1.290 0.945) 1.764 11.806 ( 2.313 1.874 -5.149) 5.947 11.874 ( -2.970 0.037 -3.412) 4.524 12.018 ( 5.651 3.931 -2.993) 7.506 12.110 ( -0.924 0.975 -0.727) 1.527 12.189 ( 0.311 -1.994 8.355) 8.595 12.243 ( 3.178 -3.315 0.577) 4.628 12.279 ( -5.561 0.778 -1.430) 5.794 12.460 ( -0.225 -1.233 -4.448) 4.621 12.470 ( -4.809 -4.974 0.889) 6.975 12.534 ( 0.217 -3.738 -1.238) 3.943 12.563 ( 2.337 1.396 3.555) 4.478 12.670 ( -0.121 -5.163 -1.096) 5.279 12.731 ( -0.956 -2.836 3.363) 4.502 12.749 ( -0.465 -5.708 5.460) 7.913 12.807 ( 0.635 -0.935 3.589) 3.763 12.867 ( -3.356 3.331 2.261) 5.241 13.088 ( 2.157 -0.154 -6.908) 7.238 13.108 ( 0.733 -1.378 5.819) 6.025 13.172 ( -5.007 -0.648 3.224) 5.990 13.264 ( 3.347 -2.403 -2.234) 4.687 13.480 ( -4.934 -3.977 1.197) 6.449 13.683 ( 1.183 -0.074 0.052) 1.187 13.762 ( 1.904 -6.407 -1.576) 6.867 13.766 ( -1.653 -3.666 -0.704) 4.083 13.839 ( 6.509 -2.463 -3.061) 7.603 14.082 ( 2.087 -1.003 -3.696) 4.362 14.156 ( -0.322 -10.946 -6.420) 12.694 14.261 ( -1.156 -4.224 4.587) 6.342 14.309 ( -0.830 -2.081 4.900) 5.388 14.406 ( 1.907 0.126 2.791) 3.383 14.594 ( 0.173 -1.370 -0.546) 1.485 14.653 ( 1.390 5.831 4.210) 7.325 14.765 ( 1.831 -0.271 3.599) 4.047 14.909 ( 1.990 4.925 0.870) 5.382 14.977 ( -6.656 0.163 -3.264) 7.415 15.155 ( -3.142 -3.617 0.954) 4.885 15.388 ( -1.527 1.962 -6.591) 7.044 15.669 ( 1.697 -4.696 4.660) 6.830 15.694 ( 1.551 -4.109 -5.055) 6.696 15.970 ( 1.357 2.356 -0.414) 2.750 16.000 ( 2.321 -0.213 1.993) 3.067 16.138 ( 3.830 -3.087 -5.478) 7.363 16.188 ( 5.109 -2.288 -2.436) 6.104 16.343 ( 1.299 2.286 10.425) 10.752 16.384 ( 0.788 3.256 1.338) 3.608 16.495 ( 2.299 2.125 -10.324) 10.788 16.624 ( -5.716 3.636 8.778) 11.088 16.797 ( -1.589 2.057 3.360) 4.248 16.866 ( 2.637 4.410 -4.148) 6.604 16.924 ( 7.324 4.321 4.265) 9.513 17.044 ( 0.644 -7.967 -2.338) 8.328 17.100 ( 0.277 -2.184 -3.799) 4.391 17.202 ( 3.666 -1.356 -1.711) 4.267 17.227 ( -0.502 5.868 -0.792) 5.942 17.466 ( -1.301 -7.172 -3.846) 8.241 17.679 ( 7.491 -1.516 4.237) 8.738 17.913 ( -0.203 1.808 0.569) 1.906 18.417 ( -15.497 3.227 -2.470) 16.020 18.623 ( -13.066 6.094 3.230) 14.775 19.218 ( -3.392 4.777 -2.495) 6.368 19.357 ( 5.436 -10.903 -0.582) 12.197 19.520 ( 4.378 -2.134 1.578) 5.120 19.534 ( 0.075 0.643 -0.355) 0.739 21.753 ( 0.696 0.707 -0.362) 1.056 22.044 ( -1.213 1.531 -0.128) 1.957 22.791 ( -2.871 -5.801 0.323) 6.480 22.975 ( -2.265 -3.790 0.998) 4.527 23.886 ( -1.233 -4.412 1.080) 4.706 23.925 ( -0.126 -2.030 0.571) 2.113 24.165 ( -1.021 3.934 3.396) 5.296 24.277 ( 2.292 -0.008 -1.790) 2.908 24.464 ( -0.147 5.754 -0.035) 5.756 24.628 ( 0.816 3.311 -1.299) 3.649 24.899 ( 0.772 -0.115 -0.729) 1.068 24.930 ( 0.344 2.536 0.680) 2.648 25.029 ( -2.394 -0.199 0.797) 2.531 25.358 ( -3.708 1.146 -5.137) 6.438 25.659 ( 8.026 -2.421 0.262) 8.388 25.873 ( 3.517 1.933 0.927) 4.119 ======================= Grid point 100 (51/65) ======================= q-point: ( 0.00 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.423 ( 2.270 26.846 21.310) 34.350 2.710 ( -2.742 26.247 30.287) 40.171 3.010 ( 0.117 22.252 -23.174) 32.128 3.289 ( 4.777 23.298 -25.775) 35.071 3.840 ( -1.264 30.804 34.944) 46.600 3.918 ( -16.443 6.019 -1.217) 17.553 4.079 ( 13.415 5.422 -2.080) 14.618 4.179 ( 0.014 -0.458 -2.371) 2.415 4.351 ( -2.863 8.018 -1.203) 8.598 4.575 ( 2.244 6.543 -17.135) 18.479 4.646 ( 10.342 15.085 2.838) 18.509 4.707 ( 0.401 2.093 1.151) 2.422 4.761 ( -5.489 5.999 -2.167) 8.415 4.821 ( -0.987 1.733 -2.396) 3.117 5.051 ( 2.468 -3.563 -4.733) 6.417 5.203 ( -2.199 3.932 8.710) 9.806 5.316 ( 3.519 5.386 4.163) 7.663 5.543 ( -1.721 -1.634 -7.471) 7.839 5.726 ( 1.597 5.852 10.063) 11.750 5.818 ( -0.004 -0.820 1.700) 1.887 5.986 ( -0.966 9.011 -3.847) 9.846 5.989 ( 2.898 -2.695 7.293) 8.297 6.117 ( -0.801 7.160 1.630) 7.387 6.213 ( -6.241 1.499 3.416) 7.271 6.265 ( 3.783 -11.940 -7.585) 14.643 6.281 ( 2.742 10.951 -1.459) 11.383 6.385 ( 7.452 -2.672 -5.701) 9.756 6.505 ( -3.742 5.482 1.725) 6.858 6.572 ( 1.077 6.475 2.950) 7.197 6.651 ( -0.205 3.801 -0.442) 3.832 6.778 ( -0.639 2.996 -1.288) 3.323 6.883 ( 0.524 -0.129 -2.124) 2.191 6.902 ( -2.717 3.794 -6.379) 7.903 7.004 ( -0.569 2.955 -0.791) 3.112 7.036 ( 3.025 6.837 -2.760) 7.969 7.216 ( -7.541 -2.952 1.909) 8.320 7.420 ( -6.049 -6.779 -1.796) 9.261 7.476 ( 0.426 -0.306 -2.883) 2.930 7.609 ( 1.450 -2.044 -0.727) 2.610 7.665 ( -3.114 3.860 -5.351) 7.296 7.730 ( -4.298 5.023 1.980) 6.901 7.783 ( 2.138 -0.451 -4.150) 4.690 7.915 ( -1.916 -2.535 -3.183) 4.497 8.000 ( 3.253 0.614 6.634) 7.414 8.113 ( 2.103 -2.930 -0.767) 3.687 8.263 ( -1.770 3.998 -4.694) 6.415 8.322 ( -3.710 5.981 8.293) 10.877 8.377 ( -4.794 0.289 3.650) 6.033 8.690 ( 5.041 9.210 -10.046) 14.531 8.805 ( -0.880 10.856 2.385) 11.149 8.822 ( 3.302 -3.018 -0.143) 4.476 8.939 ( -11.236 -0.514 0.920) 11.285 9.011 ( 10.567 2.062 -2.557) 11.066 9.254 ( 10.285 4.613 6.278) 12.903 9.264 ( -0.201 3.843 3.944) 5.510 9.330 ( 1.064 3.730 3.530) 5.245 9.432 ( 1.421 7.475 -3.674) 8.450 9.484 ( -3.370 6.682 -2.896) 8.024 9.648 ( 1.048 8.300 -5.285) 9.895 9.717 ( 3.366 -2.130 4.067) 5.692 9.760 ( -2.739 1.330 -1.197) 3.272 9.815 ( -2.558 5.383 2.468) 6.451 9.980 ( 3.943 2.576 1.139) 4.846 10.161 ( -2.011 2.912 7.976) 8.726 10.193 ( 4.071 -4.412 6.200) 8.631 10.292 ( 4.013 -1.385 8.587) 9.579 10.403 ( -4.894 -0.759 0.117) 4.954 10.504 ( 0.516 -2.202 -0.914) 2.440 10.548 ( 3.292 3.482 -5.218) 7.084 10.566 ( -5.125 0.547 -7.901) 9.433 10.650 ( 0.612 -6.534 2.502) 7.023 10.732 ( 0.842 -4.258 -4.812) 6.481 10.831 ( -0.648 1.788 -2.122) 2.849 10.925 ( 0.766 -3.491 2.845) 4.568 10.967 ( -3.278 -2.306 -3.840) 5.551 11.031 ( 3.341 -3.334 2.213) 5.213 11.057 ( 1.920 3.614 -2.406) 4.748 11.158 ( -1.334 1.633 4.479) 4.950 11.258 ( -0.325 -1.409 0.407) 1.502 11.338 ( 1.847 -3.516 -3.185) 5.091 11.340 ( -3.655 -2.842 1.102) 4.759 11.460 ( 0.325 1.430 -4.803) 5.022 11.510 ( -1.207 -5.822 1.689) 6.181 11.668 ( -6.107 6.879 1.969) 9.407 11.683 ( 3.841 -8.311 1.725) 9.317 11.758 ( 0.519 -3.394 -1.261) 3.658 11.810 ( 3.822 5.796 -1.976) 7.219 11.864 ( 0.028 3.053 -0.465) 3.088 11.994 ( -0.430 -3.218 -4.099) 5.229 12.082 ( -0.798 -9.855 -1.541) 10.006 12.189 ( -1.643 -0.203 4.176) 4.492 12.202 ( -2.819 -5.357 2.050) 6.391 12.264 ( -5.805 -0.602 7.575) 9.562 12.321 ( -4.628 -4.590 -0.227) 6.523 12.385 ( 1.271 8.059 -1.092) 8.232 12.449 ( 0.472 -4.291 2.393) 4.936 12.552 ( 2.186 -3.837 -0.745) 4.478 12.601 ( 0.366 -1.900 1.309) 2.336 12.691 ( 4.303 -5.439 -1.308) 7.058 12.715 ( 3.798 -3.370 0.896) 5.156 12.859 ( -1.697 1.650 3.438) 4.174 12.916 ( 2.113 -0.116 -0.846) 2.279 12.992 ( -1.565 -1.790 -2.858) 3.717 13.063 ( -0.053 -8.669 -1.990) 8.895 13.104 ( 1.084 1.212 -2.929) 3.350 13.295 ( 1.396 0.100 0.003) 1.399 13.384 ( 0.985 -1.769 2.129) 2.938 13.500 ( -1.883 -15.789 0.152) 15.901 13.597 ( -1.225 -3.185 -2.480) 4.218 13.802 ( 1.989 0.605 2.561) 3.299 13.879 ( -1.690 -4.000 -2.214) 4.874 13.913 ( -1.047 -5.061 -1.390) 5.352 14.022 ( 0.235 -2.846 1.358) 3.162 14.202 ( -1.377 -3.592 2.585) 4.634 14.262 ( 1.831 -5.534 4.268) 7.224 14.392 ( 1.426 -2.065 -7.456) 7.867 14.574 ( 1.246 -4.915 2.742) 5.764 14.718 ( -1.545 1.509 4.669) 5.144 14.808 ( -0.119 3.435 -0.150) 3.440 14.854 ( 0.613 -1.397 -5.714) 5.914 15.099 ( 2.502 -1.537 -0.240) 2.946 15.125 ( 1.432 2.450 4.621) 5.423 15.261 ( -1.491 0.082 -5.548) 5.745 15.604 ( 1.987 -11.492 -1.618) 11.774 15.635 ( 0.043 -0.863 -0.543) 1.021 15.910 ( 1.772 -4.157 1.263) 4.692 15.983 ( -3.832 0.816 -4.526) 5.986 16.207 ( 0.057 4.070 2.341) 4.695 16.305 ( -6.788 4.626 3.598) 8.968 16.378 ( 1.072 1.548 1.527) 2.424 16.391 ( -0.198 1.726 0.843) 1.931 16.475 ( -1.757 0.383 0.545) 1.878 16.684 ( 3.325 1.763 -0.549) 3.803 16.774 ( -3.354 0.635 2.107) 4.012 16.903 ( -1.594 -1.637 -0.433) 2.326 16.990 ( 3.641 0.852 -4.383) 5.761 17.044 ( -0.075 0.683 -1.726) 1.858 17.190 ( 1.031 8.165 1.186) 8.315 17.269 ( -1.245 -3.270 -0.078) 3.500 17.323 ( 1.645 5.674 0.036) 5.908 17.436 ( 1.178 9.080 0.239) 9.159 17.741 ( 1.745 -4.893 0.557) 5.224 17.910 ( -0.801 -1.098 0.459) 1.434 18.399 ( 4.694 4.636 1.031) 6.677 18.609 ( -2.974 2.932 0.963) 4.286 19.109 ( -6.002 -7.911 -0.894) 9.970 19.151 ( 3.087 -6.826 -1.917) 7.733 19.495 ( -0.263 -2.276 0.428) 2.331 19.516 ( -0.953 -1.016 -0.841) 1.627 21.784 ( 0.306 1.214 -0.518) 1.355 22.085 ( -0.063 3.925 0.205) 3.931 22.623 ( -2.468 -7.028 2.792) 7.955 22.903 ( 3.508 -4.770 -1.282) 6.059 23.782 ( -0.567 -4.165 1.023) 4.326 23.877 ( -0.206 -2.684 0.702) 2.782 24.268 ( -0.511 5.276 1.864) 5.619 24.299 ( 0.286 1.727 -1.033) 2.033 24.605 ( -0.253 7.199 0.332) 7.211 24.676 ( 1.321 0.594 -2.895) 3.237 24.921 ( 0.302 0.908 0.382) 1.031 24.946 ( -0.319 -1.645 -0.119) 1.680 25.023 ( 0.708 0.096 -0.119) 0.724 25.344 ( -1.500 5.043 -0.396) 5.276 25.696 ( 0.697 -4.630 0.178) 4.686 25.925 ( -1.071 4.122 -0.641) 4.307 ======================= Grid point 101 (52/65) ======================= q-point: ( 0.20 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.705 ( 11.260 19.719 11.593) 25.496 2.885 ( 1.815 23.669 -1.566) 23.790 2.999 ( 9.853 25.999 12.565) 30.511 3.255 ( 10.504 18.295 -27.189) 34.414 3.466 ( -21.678 12.153 4.529) 25.261 3.810 ( -23.040 11.249 1.156) 25.665 4.251 ( 13.859 16.401 16.119) 26.850 4.360 ( 8.023 5.953 4.081) 10.792 4.439 ( -1.542 1.240 0.024) 1.979 4.478 ( 0.340 7.764 -9.352) 12.160 4.582 ( 8.940 9.446 -18.314) 22.462 4.700 ( -1.507 -0.185 -1.417) 2.076 4.798 ( -1.937 -6.858 0.216) 7.129 4.928 ( 9.507 13.076 3.066) 16.455 5.061 ( 2.903 -1.317 -5.568) 6.416 5.159 ( -8.398 15.705 2.269) 17.953 5.358 ( -3.537 -4.789 -5.695) 8.238 5.458 ( 1.329 -6.472 3.715) 7.580 5.728 ( -10.437 0.954 6.085) 12.120 5.780 ( -7.157 9.279 -8.592) 14.530 5.868 ( -0.552 3.506 2.788) 4.514 6.010 ( -4.302 -7.315 5.118) 9.910 6.093 ( -5.659 4.759 1.959) 7.649 6.128 ( -0.246 0.060 -5.300) 5.306 6.182 ( 3.222 8.363 0.133) 8.963 6.373 ( 1.664 5.254 -5.852) 8.038 6.469 ( 8.057 1.187 -4.608) 9.357 6.559 ( -3.645 7.506 -2.178) 8.624 6.693 ( 9.828 7.979 1.999) 12.816 6.730 ( 6.176 1.605 -0.144) 6.383 6.773 ( -0.168 2.279 -2.583) 3.448 6.890 ( -6.173 3.283 2.336) 7.372 6.907 ( 6.066 1.797 -0.225) 6.331 6.950 ( -1.438 3.875 -0.035) 4.133 6.973 ( 4.747 2.304 3.541) 6.355 7.094 ( -6.079 -0.127 5.862) 8.446 7.359 ( -1.848 -4.329 5.698) 7.391 7.523 ( -6.688 -1.556 2.748) 7.396 7.556 ( -1.455 0.630 1.741) 2.355 7.594 ( 0.751 11.694 1.388) 11.800 7.763 ( 2.712 -2.557 4.148) 5.577 7.821 ( 5.923 2.966 -0.727) 6.664 7.932 ( 4.671 3.763 3.646) 7.020 8.064 ( -0.318 1.863 -4.447) 4.832 8.126 ( -1.076 2.705 1.384) 3.223 8.212 ( -0.122 -0.725 0.379) 0.827 8.291 ( -6.493 9.040 16.099) 19.572 8.398 ( 4.833 -3.953 -1.708) 6.474 8.632 ( -15.462 1.190 -3.457) 15.889 8.737 ( 2.675 3.555 -5.708) 7.237 8.784 ( -1.064 9.926 -2.911) 10.398 8.898 ( 2.552 2.802 -1.236) 3.987 9.096 ( -1.714 -0.021 -0.073) 1.716 9.244 ( 0.380 7.563 -7.530) 10.679 9.270 ( 1.144 5.714 -8.845) 10.593 9.407 ( 3.601 3.933 2.991) 6.114 9.471 ( 6.684 -2.201 -3.344) 7.791 9.569 ( 5.032 2.864 1.712) 6.038 9.651 ( -3.715 -0.964 -4.163) 5.663 9.752 ( -2.233 2.574 2.902) 4.476 9.802 ( 7.634 1.882 -3.754) 8.713 9.860 ( 1.818 5.433 6.917) 8.981 10.017 ( 4.326 4.924 -4.633) 8.026 10.166 ( -4.301 -1.268 -2.019) 4.918 10.188 ( -10.737 4.840 1.122) 11.831 10.311 ( 4.340 -0.713 -0.105) 4.400 10.350 ( -6.494 -8.741 -5.399) 12.154 10.398 ( -5.056 -3.331 0.890) 6.120 10.459 ( -3.690 -7.077 4.120) 8.982 10.502 ( -1.984 -4.252 -0.406) 4.710 10.596 ( -0.016 0.659 -0.425) 0.784 10.759 ( 0.364 -2.118 -4.286) 4.795 10.873 ( 1.214 1.035 1.423) 2.138 10.911 ( 2.368 -0.549 2.873) 3.763 11.015 ( 0.342 0.788 -0.985) 1.307 11.026 ( 3.028 -0.972 -3.919) 5.047 11.090 ( 0.144 1.996 0.270) 2.019 11.159 ( -2.853 -2.009 1.958) 4.001 11.253 ( 3.114 -7.302 -0.567) 7.959 11.359 ( 4.169 1.025 -0.318) 4.305 11.440 ( 4.446 -0.930 2.434) 5.153 11.449 ( 2.081 -2.742 -0.560) 3.488 11.503 ( -0.282 -1.243 4.556) 4.731 11.611 ( -2.770 8.102 4.770) 9.801 11.693 ( -1.930 -5.402 -4.139) 7.073 11.769 ( 2.079 -5.347 -2.061) 6.096 11.845 ( -0.189 3.054 0.873) 3.182 11.891 ( 2.767 5.680 -4.872) 7.979 11.938 ( -2.845 -0.562 3.083) 4.233 12.052 ( -1.396 -6.387 1.934) 6.818 12.126 ( -4.649 -1.379 3.795) 6.157 12.170 ( -5.005 -3.636 5.130) 8.036 12.216 ( -1.835 -2.605 3.907) 5.042 12.283 ( -0.927 -6.844 3.013) 7.536 12.410 ( 0.084 3.587 2.296) 4.260 12.487 ( 2.054 -5.410 2.583) 6.337 12.560 ( -0.419 -8.434 -3.561) 9.164 12.668 ( 5.364 1.991 -0.954) 5.801 12.727 ( 0.432 -1.447 0.658) 1.647 12.786 ( 4.395 -2.228 -6.338) 8.028 12.856 ( -1.295 0.434 0.062) 1.367 12.913 ( -1.217 -0.217 -6.534) 6.650 13.001 ( -3.042 -9.309 1.283) 9.877 13.064 ( 10.249 -0.044 -5.060) 11.430 13.134 ( 1.389 -3.390 1.750) 4.060 13.311 ( 2.215 0.891 -1.906) 3.055 13.415 ( -0.849 -7.436 -1.451) 7.624 13.461 ( -1.546 -8.096 4.009) 9.166 13.588 ( 0.044 -4.661 1.862) 5.020 13.788 ( -3.447 1.302 -1.187) 3.871 13.814 ( -4.883 -2.585 0.268) 5.532 13.884 ( 0.213 -4.610 1.282) 4.790 14.008 ( -0.979 -3.830 0.018) 3.953 14.180 ( -2.619 -4.346 2.741) 5.767 14.297 ( 0.141 -5.380 0.819) 5.444 14.424 ( 6.541 -0.154 -4.704) 8.058 14.596 ( 1.026 -3.525 -1.249) 3.878 14.725 ( -4.726 -0.364 3.426) 5.848 14.840 ( 3.292 0.220 -1.676) 3.701 14.912 ( 5.314 4.380 -4.895) 8.449 15.134 ( -0.705 -1.728 -0.223) 1.879 15.164 ( -0.659 3.956 -6.761) 7.861 15.200 ( 5.325 -4.071 5.784) 8.853 15.519 ( -3.093 -5.680 -1.193) 6.576 15.705 ( 2.724 -4.957 -3.375) 6.586 15.865 ( -5.308 -4.417 1.870) 7.154 15.933 ( -1.927 1.477 4.075) 4.744 16.117 ( -10.410 4.325 5.031) 12.344 16.189 ( -2.096 4.660 -1.776) 5.410 16.398 ( -0.764 -0.404 3.177) 3.292 16.452 ( 2.478 0.801 4.786) 5.448 16.513 ( 2.713 5.797 -1.257) 6.523 16.729 ( -2.514 -1.436 4.306) 5.189 16.788 ( 5.065 -1.511 0.179) 5.289 16.855 ( -2.642 -1.172 1.621) 3.314 16.993 ( -1.750 0.493 -3.530) 3.971 17.041 ( 1.129 2.750 -1.039) 3.149 17.174 ( -1.321 7.567 -3.554) 8.464 17.242 ( -2.468 -1.248 0.409) 2.796 17.304 ( -3.993 6.125 -2.059) 7.596 17.402 ( 0.486 8.124 -1.881) 8.353 17.704 ( -2.688 -4.003 -3.602) 6.018 17.902 ( -0.753 -1.336 1.398) 2.075 18.411 ( 3.993 0.337 -3.151) 5.098 18.816 ( 4.199 12.238 6.712) 14.576 19.000 ( 5.325 -22.592 -4.792) 23.701 19.260 ( 5.484 0.289 2.837) 6.181 19.488 ( -0.668 -1.413 0.571) 1.664 19.524 ( 0.062 -0.924 1.833) 2.053 21.777 ( -0.370 1.006 -0.681) 1.270 22.093 ( 0.615 3.820 0.161) 3.873 22.589 ( -2.526 -5.775 4.149) 7.546 22.975 ( 4.908 -7.577 -5.608) 10.628 23.781 ( -0.406 -4.171 1.385) 4.414 23.876 ( -0.415 -2.725 0.588) 2.819 24.274 ( -0.292 5.173 1.731) 5.463 24.297 ( 0.424 2.258 -1.102) 2.548 24.606 ( 0.077 7.361 0.484) 7.377 24.690 ( 2.126 0.840 -3.119) 3.867 24.917 ( -0.525 1.038 -0.403) 1.231 24.943 ( -0.144 -1.358 0.215) 1.382 25.036 ( 0.978 -0.698 -0.980) 1.550 25.341 ( 0.090 5.852 3.087) 6.617 25.616 ( -6.154 -2.337 -0.578) 6.608 25.914 ( -1.110 2.564 0.723) 2.886 ======================= Grid point 102 (53/65) ======================= q-point: ( 0.40 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.806 ( -11.605 16.242 5.748) 20.773 2.978 ( -13.416 14.089 12.101) 22.911 3.081 ( 9.565 16.139 -5.838) 19.648 3.320 ( 16.532 15.974 -18.610) 29.577 3.442 ( -4.516 17.862 2.977) 18.663 3.528 ( 13.235 20.021 14.897) 28.247 4.111 ( -10.814 15.702 -15.172) 24.366 4.346 ( -11.867 4.705 -8.253) 15.201 4.486 ( 11.652 3.278 -8.736) 14.928 4.589 ( -4.343 -3.662 2.800) 6.334 4.691 ( 4.370 -5.860 -6.821) 9.998 4.767 ( 5.900 -3.545 -2.837) 7.445 4.816 ( 0.054 1.844 2.298) 2.947 4.922 ( -5.850 12.387 9.451) 16.643 5.074 ( 3.591 0.293 0.518) 3.640 5.125 ( 3.184 15.847 1.172) 16.206 5.209 ( 0.140 -10.585 -4.851) 11.644 5.483 ( -10.676 1.215 1.862) 10.905 5.525 ( -2.897 -0.020 5.460) 6.181 5.653 ( -3.361 8.026 -1.583) 8.844 5.829 ( -3.934 -1.508 2.055) 4.688 5.935 ( -2.950 1.636 -1.343) 3.631 6.018 ( 1.401 -1.178 -8.288) 8.488 6.169 ( 2.044 -4.146 5.498) 7.183 6.269 ( 3.245 9.694 -0.364) 10.229 6.404 ( -0.350 11.215 -0.671) 11.240 6.456 ( 2.081 3.714 0.690) 4.313 6.520 ( -0.951 4.554 -6.005) 7.596 6.692 ( -4.075 2.851 0.396) 4.989 6.713 ( -2.893 3.243 -2.175) 4.860 6.809 ( -0.191 6.316 -3.172) 7.070 6.862 ( 4.618 4.977 -2.273) 7.160 6.932 ( 5.856 9.218 2.491) 11.201 7.065 ( -0.875 8.213 5.368) 9.850 7.151 ( 1.741 5.289 6.623) 8.652 7.245 ( -1.578 -4.000 -1.558) 4.573 7.327 ( 10.001 4.577 11.681) 16.044 7.518 ( 4.694 4.462 4.963) 8.159 7.609 ( 8.084 3.174 4.568) 9.813 7.712 ( 8.340 14.649 4.827) 17.534 7.783 ( -2.147 5.017 0.019) 5.457 7.960 ( -4.929 0.555 4.230) 6.519 7.975 ( 4.118 -3.193 -3.930) 6.527 8.043 ( -3.983 5.129 -3.823) 7.536 8.099 ( -4.408 5.898 9.194) 11.779 8.126 ( -11.080 7.269 4.351) 13.948 8.299 ( -3.998 -0.099 -6.719) 7.819 8.443 ( 6.049 0.585 13.205) 14.536 8.495 ( 7.004 0.041 -2.078) 7.306 8.659 ( -6.052 6.372 -0.994) 8.844 8.768 ( 6.696 7.340 -14.937) 17.939 8.902 ( 0.122 7.377 1.687) 7.569 9.030 ( -6.287 -0.547 -0.069) 6.311 9.216 ( 4.028 4.302 -6.232) 8.577 9.299 ( 2.679 -0.932 -12.322) 12.644 9.424 ( -6.063 0.430 -0.872) 6.141 9.535 ( 0.406 -1.593 0.894) 1.871 9.565 ( 6.276 -5.598 -4.453) 9.516 9.625 ( -3.077 3.555 0.030) 4.702 9.709 ( -2.987 0.283 3.140) 4.343 9.791 ( -7.464 -2.395 -2.466) 8.218 9.859 ( -8.601 8.371 2.021) 12.171 9.918 ( -1.370 -1.439 -7.676) 7.929 10.067 ( 2.272 1.450 -5.443) 6.074 10.098 ( -4.853 -4.799 3.636) 7.734 10.198 ( 2.861 -3.441 -2.580) 5.165 10.334 ( -4.492 -3.834 1.570) 6.111 10.431 ( 4.791 -1.175 -2.731) 5.638 10.458 ( -0.274 -6.131 3.486) 7.058 10.494 ( 2.947 -6.007 1.283) 6.813 10.626 ( 0.191 -3.720 -3.685) 5.240 10.763 ( 2.153 0.162 1.508) 2.634 10.882 ( 3.155 1.320 0.233) 3.428 10.900 ( -5.449 3.886 -2.693) 7.214 10.964 ( 1.818 -2.623 -2.006) 3.770 11.060 ( -3.493 -2.529 2.996) 5.251 11.121 ( -0.174 -2.999 2.609) 3.979 11.222 ( 7.058 -3.539 5.743) 9.764 11.283 ( -2.838 -1.904 -3.181) 4.669 11.424 ( 4.031 -4.673 -1.022) 6.255 11.472 ( 1.230 -1.997 -1.015) 2.556 11.509 ( -0.234 1.768 -0.800) 1.954 11.583 ( 3.050 -1.262 3.333) 4.691 11.616 ( 0.592 6.592 4.304) 7.895 11.672 ( 3.265 -4.037 -0.738) 5.244 11.788 ( -2.142 0.931 1.750) 2.919 11.825 ( -3.155 -1.197 4.044) 5.267 11.853 ( -2.565 1.275 1.527) 3.246 11.914 ( 0.071 4.108 -4.488) 6.085 12.050 ( -1.276 -4.688 1.458) 5.072 12.122 ( 2.835 -2.445 2.924) 4.750 12.174 ( 1.529 -5.553 4.078) 7.057 12.208 ( -1.854 -3.435 1.666) 4.244 12.282 ( 1.184 -1.422 0.435) 1.901 12.431 ( -0.478 -0.868 5.514) 5.603 12.534 ( -0.160 -9.459 0.189) 9.462 12.546 ( 1.457 -6.204 -2.700) 6.921 12.699 ( -2.865 0.247 2.816) 4.025 12.739 ( -2.929 -2.551 -6.649) 7.701 12.762 ( 1.176 -0.309 -3.542) 3.745 12.780 ( -1.874 2.491 -2.403) 3.936 12.903 ( 0.378 -2.473 -0.606) 2.574 12.962 ( 1.215 -5.409 -2.347) 6.021 13.152 ( -0.355 -2.469 -0.731) 2.599 13.178 ( 4.759 1.574 -7.307) 8.861 13.352 ( -2.515 -5.703 3.222) 7.017 13.391 ( 2.629 -0.226 0.815) 2.762 13.500 ( 2.207 -6.621 1.742) 7.193 13.597 ( -0.618 -10.835 1.293) 10.929 13.715 ( -1.186 1.996 1.296) 2.659 13.753 ( -0.849 -0.469 -1.117) 1.479 13.895 ( 0.345 -3.493 0.251) 3.519 14.001 ( -0.767 -3.658 0.339) 3.753 14.146 ( -2.287 -5.760 3.398) 7.068 14.328 ( 1.788 -2.359 2.037) 3.594 14.514 ( -7.655 -0.797 -3.841) 8.601 14.548 ( 4.779 2.045 -0.950) 5.284 14.639 ( -0.784 -0.916 0.568) 1.333 14.792 ( -5.551 -0.770 -4.792) 7.374 14.919 ( 3.447 2.603 -2.400) 4.942 15.112 ( -1.098 -2.075 -2.851) 3.693 15.264 ( 10.104 1.254 0.122) 10.182 15.395 ( 4.711 2.184 6.223) 8.105 15.510 ( 1.260 -2.895 -0.047) 3.158 15.651 ( -2.411 -4.523 -6.290) 8.114 15.776 ( -3.462 -12.243 -0.265) 12.726 15.909 ( -4.949 2.102 6.720) 8.606 15.994 ( -3.636 2.382 5.536) 7.038 16.165 ( 0.074 3.618 -2.614) 4.464 16.417 ( 1.452 6.784 6.069) 9.217 16.498 ( -1.166 8.029 -0.289) 8.119 16.574 ( 5.794 -4.077 -0.733) 7.122 16.686 ( -6.056 -2.189 1.216) 6.554 16.788 ( -3.510 2.558 8.138) 9.224 16.880 ( -3.348 2.471 -3.774) 5.618 16.938 ( 1.560 -4.218 2.993) 5.402 17.035 ( -1.712 7.257 -3.592) 8.277 17.078 ( -0.500 6.604 -4.912) 8.245 17.162 ( 1.096 1.379 -6.793) 7.017 17.317 ( 1.650 -2.558 5.333) 6.140 17.421 ( 1.725 8.808 -1.710) 9.137 17.608 ( -2.680 -3.675 -7.320) 8.618 17.898 ( -0.759 -1.710 2.184) 2.876 18.551 ( 11.321 -10.504 -3.245) 15.781 18.708 ( -11.140 -9.909 2.824) 15.174 19.210 ( 6.718 2.695 1.077) 7.318 19.413 ( 5.535 2.926 -0.824) 6.314 19.476 ( 1.228 1.260 1.191) 2.125 19.518 ( -2.126 3.317 3.299) 5.138 21.766 ( -0.096 0.922 -0.662) 1.139 22.106 ( 0.395 3.340 0.179) 3.368 22.610 ( 0.409 -7.183 6.107) 9.437 22.982 ( 0.771 -9.099 -8.047) 12.171 23.787 ( -0.255 -4.552 1.574) 4.823 23.870 ( -0.477 -2.616 0.568) 2.720 24.277 ( -0.683 5.016 1.277) 5.220 24.301 ( 0.586 3.404 -0.745) 3.534 24.613 ( 0.149 7.617 0.585) 7.641 24.702 ( 1.188 2.165 -3.003) 3.888 24.903 ( -0.355 1.137 -0.432) 1.267 24.941 ( 0.084 -0.999 -0.202) 1.022 25.043 ( -0.024 -2.008 -0.342) 2.037 25.390 ( 1.676 4.541 4.520) 6.623 25.518 ( -2.466 -1.599 -0.312) 2.956 25.870 ( -2.417 3.312 -0.802) 4.178 ======================= Grid point 103 (54/65) ======================= q-point: (-0.40 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.581 ( -20.040 20.735 17.516) 33.740 2.631 ( -21.446 18.466 25.656) 38.199 3.318 ( 12.725 12.114 -16.206) 23.902 3.456 ( 20.439 9.941 -24.209) 33.206 3.662 ( 8.276 16.674 1.472) 18.673 3.828 ( -6.341 15.202 -8.099) 18.355 3.866 ( 3.559 20.379 -2.081) 20.792 4.075 ( -0.846 14.834 8.014) 16.882 4.309 ( -16.412 17.572 8.178) 25.397 4.574 ( -7.681 -4.964 1.410) 9.253 4.673 ( 7.313 -3.920 -2.294) 8.608 4.786 ( -2.911 -11.824 0.446) 12.185 4.853 ( 3.824 -8.721 -4.739) 10.637 5.001 ( 7.217 3.621 -2.103) 8.344 5.070 ( -6.392 11.814 2.945) 13.752 5.109 ( 0.371 -7.475 0.170) 7.486 5.258 ( -5.904 0.980 -3.278) 6.824 5.445 ( 0.361 5.227 5.013) 7.252 5.572 ( 12.653 -1.566 3.229) 13.152 5.627 ( 1.776 8.492 -0.767) 8.709 5.792 ( -1.218 -3.131 5.274) 6.253 5.909 ( 0.750 3.945 -2.884) 4.944 6.006 ( 2.646 -2.997 -6.077) 7.275 6.241 ( 0.780 2.844 1.543) 3.328 6.296 ( 0.400 -1.268 -2.223) 2.590 6.339 ( -4.911 9.133 8.188) 13.213 6.384 ( -7.070 10.114 0.030) 12.340 6.477 ( -4.250 3.584 -0.950) 5.640 6.691 ( 3.960 4.834 0.599) 6.278 6.734 ( 1.373 3.670 3.215) 5.069 6.814 ( 5.659 3.945 -8.869) 11.236 6.847 ( -3.914 9.535 -1.318) 10.391 7.001 ( 0.144 7.061 -5.814) 9.148 7.142 ( 3.121 -1.400 8.947) 9.578 7.176 ( 7.832 13.889 -3.264) 16.276 7.297 ( 2.640 8.229 -5.396) 10.189 7.545 ( -11.383 4.637 -3.782) 12.859 7.582 ( 0.093 -0.322 -0.376) 0.503 7.619 ( 3.284 1.970 10.784) 11.444 7.713 ( -8.659 3.931 -7.050) 11.838 7.769 ( -7.723 9.042 0.036) 11.891 7.865 ( -1.684 5.875 -3.370) 6.980 7.970 ( -1.650 -5.050 2.859) 6.033 8.020 ( 11.810 10.308 11.328) 19.340 8.146 ( 5.478 10.596 7.092) 13.878 8.245 ( 5.275 -2.045 -8.980) 10.613 8.267 ( 10.812 5.259 2.927) 12.374 8.458 ( -2.861 -0.685 0.652) 3.013 8.499 ( -4.529 9.240 -6.189) 12.008 8.704 ( -8.838 -1.061 -7.578) 11.690 8.791 ( 5.197 9.104 -3.301) 10.991 8.920 ( 6.758 -0.509 4.874) 8.347 8.984 ( 3.994 2.551 1.234) 4.897 9.098 ( -7.047 1.622 -4.592) 8.566 9.234 ( -2.101 -2.801 -3.154) 4.712 9.395 ( -1.877 0.672 -0.397) 2.033 9.464 ( -8.571 -0.823 2.079) 8.858 9.560 ( 3.785 -0.392 -0.255) 3.813 9.621 ( -1.591 -0.021 6.632) 6.821 9.646 ( -1.163 1.502 3.065) 3.606 9.708 ( -1.291 1.315 3.334) 3.809 9.818 ( 1.767 7.625 2.975) 8.373 9.882 ( 0.478 -4.013 -2.803) 4.918 10.069 ( 0.629 -3.859 1.985) 4.385 10.083 ( -2.546 0.279 0.279) 2.576 10.224 ( 2.537 -3.070 -4.585) 6.073 10.325 ( 0.579 -1.712 5.371) 5.667 10.444 ( -1.728 -5.364 -4.148) 6.998 10.484 ( 3.240 -2.407 -3.193) 5.146 10.530 ( 0.414 -6.349 -0.254) 6.368 10.629 ( 3.817 -8.371 -5.041) 10.491 10.771 ( -0.607 6.443 1.066) 6.559 10.841 ( 0.904 2.309 1.234) 2.770 10.935 ( -1.772 -12.235 1.816) 12.495 10.957 ( 0.020 1.702 -5.066) 5.344 11.081 ( 2.736 5.304 1.004) 6.052 11.140 ( -1.308 -0.010 -0.196) 1.322 11.215 ( 0.606 -4.652 7.662) 8.985 11.326 ( -1.400 -2.124 -0.286) 2.559 11.388 ( -5.082 -5.878 -0.226) 7.774 11.436 ( 0.300 -1.206 -5.243) 5.389 11.532 ( -4.748 -1.117 0.116) 4.879 11.538 ( -3.272 -2.876 3.044) 5.314 11.685 ( 1.753 -6.035 -3.680) 7.283 11.732 ( 3.140 2.882 0.934) 4.363 11.775 ( -1.403 2.072 0.621) 2.579 11.815 ( 0.504 6.018 3.034) 6.758 11.887 ( 3.663 2.962 0.654) 4.756 11.930 ( 5.287 1.018 -3.025) 6.176 12.075 ( -0.620 -5.965 3.338) 6.864 12.105 ( 0.254 -3.247 -1.127) 3.446 12.202 ( -0.972 -6.005 -0.320) 6.092 12.239 ( 4.720 -4.344 -0.449) 6.430 12.357 ( -4.690 -0.115 -4.808) 6.717 12.407 ( -0.206 -5.402 7.091) 8.917 12.528 ( 0.456 -8.154 0.178) 8.169 12.542 ( -0.476 -6.308 -1.716) 6.554 12.619 ( -3.240 -4.882 1.529) 6.056 12.667 ( -2.587 1.042 5.442) 6.115 12.723 ( -0.389 7.232 -2.047) 7.526 12.799 ( -0.403 -3.107 1.132) 3.331 12.855 ( -1.067 -1.804 0.769) 2.233 13.011 ( 1.403 -0.001 0.642) 1.543 13.119 ( 1.366 -0.391 -8.468) 8.587 13.187 ( 0.828 0.397 -2.532) 2.693 13.296 ( -5.907 0.203 5.699) 8.211 13.447 ( 1.116 -4.253 -0.919) 4.492 13.548 ( 1.334 -8.873 -2.813) 9.403 13.584 ( -0.142 -12.021 1.895) 12.170 13.734 ( -0.201 -0.935 0.158) 0.969 13.751 ( 3.059 2.167 -1.309) 3.971 13.902 ( -0.321 -6.681 -0.738) 6.730 14.012 ( 3.369 -0.058 -0.635) 3.429 14.150 ( -0.826 -5.414 3.574) 6.540 14.299 ( -8.072 -2.153 5.469) 9.986 14.405 ( 0.860 -0.422 3.192) 3.333 14.599 ( -3.296 -2.378 -2.653) 4.853 14.658 ( 3.489 1.729 -0.710) 3.958 14.711 ( 2.892 0.928 0.157) 3.041 14.973 ( 3.475 0.596 -6.476) 7.373 15.079 ( -0.394 -1.566 0.283) 1.640 15.269 ( -12.443 5.036 -0.335) 13.427 15.471 ( 6.482 0.700 3.403) 7.354 15.515 ( -2.923 -2.539 -4.169) 5.689 15.625 ( 1.465 -5.149 -4.844) 7.220 15.769 ( 2.518 -14.006 -0.151) 14.231 15.917 ( 3.696 -0.511 7.335) 8.230 16.029 ( 1.552 2.895 4.351) 5.452 16.152 ( 1.409 2.658 -2.879) 4.164 16.437 ( -1.301 8.897 3.790) 9.757 16.513 ( -5.586 4.793 -0.403) 7.372 16.579 ( 1.117 1.822 -2.796) 3.519 16.698 ( 5.005 0.260 2.843) 5.762 16.781 ( -0.881 0.324 -0.672) 1.154 16.837 ( 1.162 4.735 10.172) 11.280 16.932 ( 0.324 1.424 -1.228) 1.908 17.038 ( 1.812 5.736 -2.635) 6.568 17.078 ( 1.590 2.231 -0.877) 2.877 17.132 ( 0.973 -0.183 -7.858) 7.921 17.389 ( 1.434 2.167 0.532) 2.652 17.449 ( -1.172 1.597 0.648) 2.084 17.491 ( -0.291 -3.114 -3.590) 4.761 17.906 ( -0.205 -1.552 1.892) 2.456 18.492 ( -10.519 -13.079 1.347) 16.838 18.782 ( 13.077 -17.976 -3.582) 22.516 19.160 ( -13.174 13.268 5.412) 19.465 19.407 ( -1.895 2.202 -0.174) 2.910 19.483 ( -0.077 -1.137 -0.001) 1.139 19.617 ( 5.729 7.402 -4.598) 10.428 21.764 ( 0.407 1.081 -0.527) 1.269 22.108 ( -0.345 3.116 0.033) 3.135 22.658 ( -0.895 -9.243 4.173) 10.181 22.910 ( -1.715 -7.423 -4.202) 8.701 23.791 ( -0.453 -4.828 1.207) 4.997 23.868 ( -0.187 -2.465 0.768) 2.589 24.270 ( -0.852 5.430 1.451) 5.685 24.305 ( 0.285 3.162 -0.721) 3.256 24.616 ( -0.315 7.512 0.388) 7.528 24.696 ( 0.447 2.683 -2.440) 3.654 24.897 ( -0.087 0.790 0.112) 0.803 24.946 ( 0.704 -0.598 -0.693) 1.154 25.029 ( -1.369 -1.998 0.968) 2.608 25.465 ( 2.010 1.341 -3.112) 3.940 25.490 ( 0.479 -0.863 3.264) 3.410 25.860 ( 2.579 4.628 -0.020) 5.298 ======================= Grid point 104 (55/65) ======================= q-point: (-0.20 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.350 ( -12.508 27.959 21.222) 37.263 2.587 ( -10.391 21.463 35.748) 42.971 3.227 ( -3.642 17.019 -20.797) 27.119 3.497 ( -6.418 22.225 -22.296) 32.129 3.699 ( 20.431 9.578 -17.772) 28.723 3.838 ( -19.373 35.424 24.632) 47.296 3.884 ( 19.320 7.152 -5.346) 21.283 4.247 ( 16.591 14.191 10.281) 24.132 4.352 ( -15.387 -0.021 1.593) 15.469 4.493 ( 9.689 2.512 8.721) 13.276 4.613 ( -8.225 -4.649 -5.459) 10.912 4.774 ( 1.165 -11.848 1.206) 11.966 4.815 ( -5.314 3.444 -7.785) 10.035 4.983 ( -7.010 20.734 -2.011) 21.979 5.020 ( 0.274 -5.299 3.748) 6.497 5.139 ( 2.952 -8.106 4.004) 9.511 5.253 ( 3.021 10.383 -5.612) 12.183 5.495 ( 4.922 2.127 7.977) 9.611 5.641 ( -0.349 8.707 1.581) 8.857 5.804 ( 3.738 0.863 3.087) 4.924 5.879 ( -0.057 -2.789 0.553) 2.844 5.932 ( 9.311 -2.587 -2.926) 10.097 6.070 ( 4.163 0.710 4.328) 6.047 6.182 ( -2.505 6.014 1.112) 6.609 6.234 ( -0.361 1.916 -5.110) 5.469 6.331 ( -0.508 6.170 1.313) 6.329 6.373 ( -2.509 -0.113 1.842) 3.114 6.453 ( 2.978 4.542 5.765) 7.920 6.662 ( -5.633 2.451 0.499) 6.163 6.769 ( -6.305 3.752 -3.686) 8.211 6.798 ( 4.969 8.074 0.201) 9.483 6.861 ( 4.824 7.505 -2.934) 9.392 6.962 ( -10.631 4.354 -2.108) 11.680 7.035 ( 2.684 4.577 -7.651) 9.310 7.109 ( -7.750 6.990 -8.342) 13.361 7.359 ( -2.708 0.594 -9.535) 9.930 7.443 ( 7.134 -9.367 -1.036) 11.820 7.567 ( -1.699 0.117 -5.675) 5.925 7.574 ( 1.761 3.038 -3.108) 4.690 7.669 ( 1.652 2.368 1.631) 3.316 7.742 ( 2.357 -0.311 -1.878) 3.030 7.802 ( -4.501 7.882 5.032) 10.379 7.966 ( -1.618 -0.766 1.649) 2.434 8.114 ( 0.190 -2.875 -8.088) 8.585 8.142 ( -12.952 2.042 -11.758) 17.612 8.296 ( 1.635 14.438 10.075) 17.682 8.302 ( -2.691 1.445 3.444) 4.604 8.447 ( -4.938 0.316 1.065) 5.061 8.567 ( 16.830 6.299 4.905) 18.627 8.708 ( 9.394 13.290 -9.979) 19.090 8.817 ( 0.488 -1.174 -0.651) 1.428 8.878 ( -0.646 7.183 -0.448) 7.225 9.064 ( -5.649 -1.333 0.470) 5.823 9.104 ( 0.699 4.020 4.107) 5.790 9.153 ( 4.061 4.030 0.489) 5.742 9.351 ( -3.896 -4.059 5.798) 8.079 9.492 ( 1.726 4.036 3.458) 5.588 9.534 ( 2.336 -0.895 3.544) 4.338 9.580 ( -5.480 3.591 -0.632) 6.582 9.688 ( -2.090 8.089 4.978) 9.726 9.817 ( 1.748 0.837 1.560) 2.488 9.868 ( 1.012 1.091 4.216) 4.471 9.952 ( -8.498 -0.451 -0.399) 8.519 9.992 ( 9.517 -1.650 10.277) 14.104 10.113 ( 0.975 -0.848 6.157) 6.291 10.208 ( -1.031 -0.119 -1.148) 1.547 10.407 ( 2.702 0.041 2.156) 3.457 10.462 ( 8.067 -4.845 -6.042) 11.183 10.500 ( 0.542 -2.528 -1.090) 2.806 10.575 ( 4.454 -2.996 -1.553) 5.588 10.622 ( -0.294 -3.122 -4.452) 5.445 10.746 ( -1.089 1.787 -2.107) 2.970 10.890 ( 2.611 -0.114 0.864) 2.752 10.921 ( 1.518 -8.318 1.574) 8.601 10.990 ( 2.299 2.489 -1.041) 3.545 11.032 ( -6.711 7.203 -3.581) 10.476 11.089 ( -4.250 -2.602 -0.159) 4.986 11.207 ( -2.555 -2.074 -2.108) 3.908 11.302 ( -1.686 -6.823 -0.068) 7.029 11.337 ( -2.860 -3.833 3.963) 6.211 11.403 ( -0.817 -3.923 -2.079) 4.515 11.436 ( 0.714 4.753 2.309) 5.332 11.533 ( -1.110 -3.850 1.075) 4.148 11.658 ( -1.982 -8.481 -2.696) 9.117 11.735 ( -1.281 -1.277 0.188) 1.819 11.759 ( 2.597 5.449 -5.298) 8.031 11.804 ( -2.885 2.782 0.851) 4.098 11.897 ( -1.128 3.071 -2.880) 4.359 12.001 ( 2.042 -6.059 -2.704) 6.942 12.100 ( 0.948 -6.149 -2.295) 6.632 12.159 ( 2.122 0.876 1.901) 2.981 12.214 ( -0.035 2.523 -0.603) 2.594 12.262 ( 2.402 -4.023 6.214) 7.782 12.357 ( 3.038 -2.270 -4.274) 5.714 12.370 ( -3.965 -4.952 7.298) 9.670 12.479 ( -2.010 -4.949 -3.974) 6.658 12.534 ( -0.676 -6.647 1.303) 6.807 12.601 ( 0.079 -2.626 1.292) 2.928 12.631 ( -3.608 3.507 3.224) 5.976 12.719 ( -3.361 -1.964 0.280) 3.903 12.820 ( 3.043 4.367 7.879) 9.508 12.951 ( -4.886 -2.199 0.973) 5.446 12.957 ( 4.597 -5.816 3.225) 8.084 13.088 ( 1.708 -0.853 -11.284) 11.444 13.165 ( -3.617 0.355 -1.333) 3.871 13.250 ( 0.438 0.818 3.141) 3.275 13.399 ( -2.835 -4.121 -0.381) 5.016 13.529 ( 0.047 -13.358 -3.715) 13.865 13.620 ( 1.154 -7.501 0.058) 7.589 13.743 ( 0.985 -0.008 2.074) 2.296 13.854 ( 6.745 2.424 -1.464) 7.315 13.908 ( 0.760 -8.067 -1.332) 8.211 14.019 ( -1.262 -4.547 -0.670) 4.766 14.167 ( 0.264 -4.640 4.214) 6.273 14.248 ( -2.467 -3.714 4.279) 6.180 14.428 ( -0.629 0.266 -1.792) 1.917 14.526 ( 0.277 -4.330 0.610) 4.382 14.726 ( 1.100 0.787 2.856) 3.160 14.816 ( 0.572 4.342 4.527) 6.298 14.943 ( 0.497 -0.852 -10.142) 10.189 15.032 ( -5.126 4.353 5.221) 8.514 15.105 ( -0.621 -1.015 0.935) 1.513 15.355 ( -5.078 -4.813 -6.885) 9.816 15.574 ( 2.997 -6.186 -5.158) 8.594 15.628 ( 1.075 -1.511 2.271) 2.932 15.845 ( 3.626 -8.880 1.301) 9.679 16.050 ( -0.213 3.844 -2.950) 4.850 16.109 ( 6.899 3.331 4.974) 9.134 16.209 ( 6.629 0.212 -2.074) 6.949 16.399 ( -4.451 2.310 4.555) 6.775 16.475 ( -0.986 4.701 1.300) 4.976 16.537 ( -0.635 2.197 -6.629) 7.012 16.692 ( -6.345 3.559 7.947) 10.774 16.811 ( -0.643 -1.549 1.405) 2.188 16.910 ( 2.080 -1.094 -1.553) 2.817 16.978 ( 0.253 1.470 -2.979) 3.332 17.071 ( 0.243 1.671 -5.873) 6.111 17.119 ( 4.838 7.828 0.980) 9.255 17.167 ( 9.054 3.401 3.866) 10.416 17.337 ( -3.418 -2.045 -2.371) 4.635 17.400 ( 0.788 7.820 -1.408) 7.984 17.613 ( 6.754 -4.918 4.180) 9.342 17.914 ( -0.253 -1.305 1.211) 1.799 18.346 ( -4.033 -8.186 2.042) 9.351 18.862 ( -17.277 11.008 3.285) 20.748 18.997 ( 10.536 -18.075 -4.613) 21.424 19.314 ( -6.710 3.534 -2.010) 7.846 19.493 ( 0.314 -0.764 0.010) 0.826 19.591 ( -3.330 3.410 -4.315) 6.429 21.774 ( 0.824 1.210 -0.421) 1.523 22.094 ( -0.844 3.343 0.051) 3.448 22.640 ( -1.357 -8.283 0.753) 8.427 22.878 ( -0.852 -5.021 1.740) 5.382 23.787 ( -0.632 -4.491 0.873) 4.619 23.873 ( -0.039 -2.582 0.843) 2.716 24.266 ( -0.774 5.450 1.829) 5.800 24.302 ( 0.147 2.234 -0.922) 2.421 24.610 ( -0.407 7.178 0.170) 7.192 24.683 ( 0.202 1.610 -2.389) 2.888 24.905 ( 0.575 1.058 0.618) 1.354 24.952 ( 0.198 -1.332 -0.612) 1.479 25.015 ( -0.428 -0.626 0.828) 1.123 25.402 ( -2.810 2.994 -2.378) 4.745 25.604 ( 6.232 -2.445 0.499) 6.713 25.929 ( 2.438 3.179 -0.555) 4.045 ======================= Grid point 105 (56/65) ======================= q-point: ( 0.00 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.935 ( 1.339 20.535 7.366) 21.857 3.182 ( 0.229 20.288 23.855) 31.316 3.503 ( 0.269 22.840 -9.113) 24.592 3.624 ( 0.560 8.459 -15.861) 17.984 4.040 ( -11.401 5.038 -0.881) 12.496 4.142 ( 11.254 3.253 -7.817) 14.083 4.166 ( 0.032 1.555 0.331) 1.590 4.399 ( -0.828 5.590 5.587) 7.947 4.425 ( -1.560 -1.969 -2.040) 3.236 4.556 ( 2.582 4.063 4.947) 6.902 4.672 ( 1.583 -0.245 0.239) 1.620 4.783 ( 1.043 2.435 2.013) 3.327 4.913 ( 7.988 9.055 3.112) 12.470 4.991 ( -1.015 -0.986 1.095) 1.789 5.082 ( 2.192 -0.138 -4.542) 5.045 5.217 ( 2.402 9.423 1.748) 9.880 5.414 ( -5.995 -3.639 -10.013) 12.225 5.617 ( 0.078 12.016 1.549) 12.115 5.725 ( -1.787 -8.314 4.476) 9.610 5.834 ( -3.492 0.404 7.713) 8.476 5.882 ( 1.497 -0.549 1.524) 2.205 5.998 ( 8.065 -4.606 -0.552) 9.303 6.103 ( 3.615 -8.054 -10.780) 13.934 6.175 ( -0.602 5.963 5.220) 7.948 6.233 ( -1.462 4.259 -0.061) 4.503 6.435 ( 5.198 2.847 4.458) 7.416 6.565 ( -5.887 8.919 -9.253) 14.136 6.621 ( -1.129 4.623 7.006) 8.469 6.675 ( 2.189 2.409 3.615) 4.864 6.706 ( 1.330 4.813 1.885) 5.337 6.893 ( -2.384 0.018 0.348) 2.409 6.908 ( -3.392 10.217 -0.165) 10.767 6.985 ( -4.721 0.595 -2.014) 5.167 7.061 ( -4.088 0.732 -3.956) 5.736 7.158 ( -1.568 4.136 -7.256) 8.498 7.275 ( -0.834 0.781 2.779) 3.005 7.357 ( -2.207 3.961 -5.098) 6.823 7.427 ( 9.720 -5.836 -1.523) 11.440 7.512 ( -2.514 -0.100 -5.128) 5.712 7.684 ( -6.301 1.992 -6.971) 9.605 7.774 ( 2.418 0.774 1.109) 2.770 7.898 ( -0.162 3.485 0.531) 3.529 7.961 ( -3.121 7.347 -0.972) 8.042 8.025 ( -0.558 3.869 6.565) 7.641 8.136 ( 0.250 5.200 2.813) 5.918 8.311 ( 0.460 2.042 -10.015) 10.231 8.380 ( -2.325 4.138 -2.452) 5.342 8.549 ( -2.024 -10.312 -0.493) 10.521 8.672 ( -4.016 6.627 10.793) 13.286 8.762 ( 2.033 -1.991 2.510) 3.795 8.923 ( -3.883 -1.098 3.542) 5.369 9.037 ( 0.058 6.997 -1.733) 7.209 9.150 ( 1.848 10.421 -4.560) 11.524 9.312 ( -0.829 5.430 4.167) 6.895 9.403 ( 2.769 4.146 0.829) 5.054 9.425 ( 3.217 6.241 7.372) 10.180 9.529 ( 1.180 1.148 3.681) 4.033 9.596 ( 0.689 -1.200 -3.267) 3.548 9.618 ( 1.037 1.681 0.731) 2.106 9.779 ( 2.749 3.463 1.307) 4.610 9.816 ( -0.337 4.242 -1.668) 4.570 9.943 ( -4.193 -0.033 1.263) 4.380 9.956 ( 2.996 2.205 7.911) 8.742 10.124 ( 2.533 -3.052 7.981) 8.912 10.199 ( 1.967 -3.939 3.593) 5.683 10.259 ( 4.050 0.645 -0.646) 4.152 10.323 ( -5.121 -7.769 -0.657) 9.328 10.405 ( -0.684 -3.309 -3.165) 4.630 10.448 ( 0.579 -4.497 -9.391) 10.428 10.525 ( -0.324 -3.139 -0.620) 3.216 10.632 ( 1.926 -2.553 -2.779) 4.237 10.652 ( 7.085 -3.690 -12.894) 15.168 10.844 ( -1.319 -2.846 -0.614) 3.196 10.873 ( 2.484 1.447 6.464) 7.075 11.004 ( -2.537 4.725 -2.974) 6.133 11.047 ( 1.449 1.620 2.696) 3.463 11.109 ( 2.283 3.018 -0.600) 3.832 11.150 ( -2.054 -2.916 0.990) 3.702 11.222 ( -1.400 -2.562 4.034) 4.980 11.311 ( -1.054 7.119 1.140) 7.286 11.321 ( 4.526 -2.623 -2.894) 5.978 11.404 ( -2.703 -5.581 -1.753) 6.445 11.497 ( -0.461 -1.325 -5.318) 5.500 11.535 ( 0.527 -2.177 0.006) 2.240 11.621 ( 0.529 -7.426 -1.539) 7.603 11.755 ( -2.446 0.188 6.614) 7.054 11.826 ( -0.732 -7.409 -0.610) 7.470 11.895 ( 0.788 -1.977 -0.758) 2.259 11.944 ( -0.450 -4.662 -2.441) 5.281 11.967 ( 2.239 5.678 -2.247) 6.504 12.069 ( -4.204 -0.620 3.285) 5.371 12.181 ( -2.563 -1.640 -5.146) 5.978 12.254 ( -2.705 0.238 2.365) 3.601 12.294 ( -2.783 0.021 8.085) 8.551 12.338 ( -1.585 -3.573 3.684) 5.371 12.448 ( -2.408 -6.840 2.512) 7.674 12.553 ( -2.914 1.914 1.073) 3.648 12.590 ( 8.477 -0.261 0.126) 8.482 12.673 ( 1.991 5.937 -1.881) 6.539 12.689 ( 4.115 1.345 1.605) 4.618 12.810 ( 1.652 -4.390 -0.798) 4.758 12.865 ( -1.986 -3.993 -4.170) 6.105 12.957 ( -0.858 0.607 1.350) 1.711 13.012 ( -2.574 1.597 -2.893) 4.189 13.098 ( 0.445 -5.871 -5.303) 7.924 13.196 ( 0.454 -6.377 -0.021) 6.393 13.311 ( 0.290 -1.138 0.357) 1.228 13.350 ( 1.617 -1.288 3.419) 3.995 13.503 ( 0.502 -5.040 -1.451) 5.269 13.753 ( -1.313 -2.366 0.961) 2.871 13.838 ( 0.831 0.696 2.017) 2.290 13.861 ( -2.521 -3.342 1.997) 4.639 14.003 ( -0.101 1.856 -0.208) 1.870 14.121 ( 0.189 -7.047 1.052) 7.128 14.133 ( -1.291 -2.965 2.699) 4.212 14.338 ( 3.609 -3.852 -7.637) 9.284 14.473 ( 1.375 -3.756 -2.155) 4.543 14.721 ( -1.459 -0.665 3.809) 4.133 14.871 ( 1.243 2.109 2.236) 3.315 14.877 ( -1.500 2.891 -3.686) 4.919 15.042 ( -0.328 -3.314 -1.825) 3.797 15.164 ( 0.144 1.250 2.186) 2.522 15.235 ( 2.731 -1.770 -0.714) 3.332 15.409 ( 0.582 -6.598 -1.898) 6.890 15.638 ( 0.960 0.642 -0.562) 1.284 15.837 ( 1.448 -2.451 -0.714) 2.934 16.029 ( -4.763 2.593 -2.759) 6.085 16.251 ( 0.353 0.538 1.120) 1.292 16.331 ( 1.222 -2.679 2.161) 3.652 16.419 ( -4.226 4.412 2.138) 6.472 16.429 ( 0.324 1.799 0.708) 1.960 16.582 ( -1.000 6.315 0.584) 6.420 16.702 ( -1.038 0.366 0.184) 1.116 16.799 ( -1.685 1.714 3.713) 4.423 16.864 ( -1.635 -1.984 0.548) 2.629 16.985 ( 3.054 -0.849 -3.233) 4.527 17.076 ( -0.247 2.385 0.910) 2.564 17.230 ( -0.570 0.076 0.046) 0.576 17.369 ( -1.217 6.952 0.167) 7.060 17.441 ( 2.916 4.767 -0.258) 5.594 17.577 ( -0.263 -2.434 4.768) 5.359 17.703 ( 2.122 7.067 -3.009) 7.968 17.896 ( 0.693 1.334 -0.023) 1.504 18.338 ( 13.760 -7.958 4.205) 16.443 18.489 ( -5.683 -12.793 -7.717) 15.985 18.992 ( -1.059 0.164 0.735) 1.300 19.190 ( -6.178 4.328 -0.423) 7.556 19.477 ( -0.583 -0.101 -0.184) 0.620 19.499 ( -1.866 -0.648 -1.976) 2.794 21.808 ( 0.177 0.987 -0.492) 1.117 22.184 ( 0.250 5.583 0.310) 5.598 22.470 ( -0.549 -7.490 1.179) 7.602 22.818 ( 1.000 -3.185 1.082) 3.509 23.713 ( -0.237 -2.376 0.540) 2.449 23.830 ( -0.033 -1.694 -0.002) 1.694 24.337 ( -0.340 1.970 0.986) 2.229 24.383 ( 0.280 4.876 -0.777) 4.945 24.666 ( 0.729 -1.015 -1.880) 2.257 24.729 ( -0.417 4.476 0.816) 4.569 24.880 ( -0.509 -3.957 0.904) 4.090 24.942 ( 0.621 0.796 -1.646) 1.931 25.025 ( 0.712 0.284 -0.396) 0.863 25.448 ( -0.677 4.490 0.709) 4.596 25.617 ( 0.302 -3.013 -0.147) 3.031 26.000 ( -0.516 2.804 -0.333) 2.871 ======================= Grid point 106 (57/65) ======================= q-point: ( 0.20 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.096 ( 10.332 16.750 0.451) 19.685 3.378 ( -1.519 19.778 15.990) 25.478 3.465 ( 5.292 17.838 -6.690) 19.773 3.598 ( 6.832 17.314 -12.210) 22.260 3.724 ( -16.594 13.074 3.070) 21.347 3.998 ( -10.774 7.229 -0.600) 12.989 4.278 ( 1.901 -9.077 -3.226) 9.819 4.318 ( -5.307 -5.999 2.414) 8.365 4.467 ( 2.213 -5.959 -1.705) 6.581 4.593 ( 0.353 -0.575 -3.621) 3.683 4.688 ( -0.025 1.896 -3.834) 4.277 4.785 ( -1.598 8.487 3.772) 9.423 4.826 ( -5.004 2.523 -10.678) 12.060 5.004 ( 1.589 0.813 -5.561) 5.841 5.114 ( -4.912 -11.928 -12.625) 18.050 5.221 ( 2.076 10.474 3.804) 11.335 5.389 ( 4.438 3.154 10.091) 11.465 5.545 ( -6.947 11.991 0.148) 13.859 5.653 ( -8.740 -5.907 4.298) 11.391 5.835 ( -2.331 1.401 0.604) 2.786 5.893 ( 3.830 -0.949 0.666) 4.002 6.039 ( -0.228 -2.375 -6.908) 7.308 6.053 ( 0.979 2.180 -7.995) 8.344 6.180 ( -2.686 9.216 3.408) 10.186 6.323 ( 3.923 -1.465 -1.861) 4.583 6.362 ( -5.188 1.940 -3.279) 6.437 6.606 ( 2.434 3.299 -1.326) 4.309 6.726 ( 6.179 4.076 4.333) 8.577 6.737 ( 4.420 3.989 5.049) 7.807 6.826 ( 8.643 6.916 -3.287) 11.547 6.890 ( -0.771 0.084 -2.329) 2.455 6.954 ( -1.430 -0.721 11.109) 11.224 6.973 ( 0.984 7.261 5.264) 9.022 7.047 ( 8.354 5.689 7.280) 12.456 7.060 ( 1.582 7.443 0.476) 7.624 7.204 ( -5.232 -3.720 -0.741) 6.462 7.318 ( 0.279 14.839 0.871) 14.867 7.456 ( -2.745 -5.109 -2.531) 6.328 7.580 ( 4.600 0.340 2.286) 5.148 7.616 ( 9.816 -5.210 -3.012) 11.514 7.894 ( 4.375 6.269 3.974) 8.616 7.946 ( -0.197 11.005 2.334) 11.252 8.035 ( 3.519 7.222 0.543) 8.052 8.086 ( 8.597 1.919 6.623) 11.020 8.201 ( 2.966 4.714 4.070) 6.898 8.257 ( 0.906 2.877 -7.709) 8.278 8.386 ( 3.855 1.770 -1.198) 4.408 8.506 ( -6.298 -2.890 5.351) 8.755 8.624 ( -8.349 11.319 11.389) 18.098 8.749 ( -3.411 -0.419 1.257) 3.660 8.911 ( 2.203 -1.187 -3.678) 4.449 8.983 ( -4.771 4.708 2.116) 7.029 9.168 ( -0.054 0.576 2.217) 2.291 9.241 ( -1.368 1.781 -0.579) 2.319 9.422 ( -3.451 4.037 -3.552) 6.389 9.474 ( 0.762 3.216 -3.694) 4.957 9.503 ( -3.260 0.247 -5.827) 6.682 9.555 ( -2.439 0.994 -1.995) 3.304 9.623 ( -0.989 0.296 -3.657) 3.800 9.786 ( -1.098 -0.183 4.837) 4.963 9.823 ( -1.714 0.158 -4.043) 4.394 9.947 ( -1.750 2.103 6.237) 6.811 10.025 ( 3.084 -3.703 -0.133) 4.821 10.121 ( -6.508 -4.677 -2.148) 8.297 10.165 ( 0.793 -0.690 -6.708) 6.790 10.227 ( -7.438 -6.756 -0.445) 10.059 10.321 ( -0.543 -3.899 -0.401) 3.957 10.335 ( -1.940 -0.810 -0.183) 2.110 10.353 ( 0.577 -0.762 -1.215) 1.546 10.498 ( -0.504 6.048 -3.269) 6.893 10.598 ( -3.314 -2.970 -0.000) 4.450 10.659 ( 3.166 -5.573 -12.707) 14.232 10.850 ( -0.590 -3.223 1.530) 3.616 10.869 ( -2.690 -0.493 0.883) 2.874 10.951 ( 0.069 2.118 -0.183) 2.127 11.049 ( 0.372 -0.029 -2.127) 2.159 11.100 ( -1.278 -5.733 -1.474) 6.056 11.188 ( -3.774 1.056 -1.820) 4.321 11.234 ( 1.035 4.198 -5.034) 6.636 11.320 ( 4.657 -1.261 3.712) 6.087 11.404 ( 0.919 -2.734 5.081) 5.843 11.427 ( 6.037 1.239 -1.931) 6.458 11.459 ( 3.165 -2.887 2.171) 4.802 11.619 ( 2.195 -4.038 1.029) 4.710 11.636 ( 2.980 -3.840 -3.641) 6.073 11.778 ( -2.100 -0.155 0.266) 2.122 11.796 ( -0.811 -4.084 3.974) 5.756 11.895 ( 1.118 -0.678 2.160) 2.525 11.946 ( -0.183 1.204 0.561) 1.341 11.971 ( 5.304 -4.194 -2.529) 7.219 12.084 ( -7.201 1.996 6.016) 9.593 12.104 ( -0.630 -0.579 4.259) 4.344 12.227 ( -2.533 3.829 3.137) 5.560 12.264 ( -0.082 -0.351 1.821) 1.856 12.337 ( -1.136 -5.317 4.685) 7.177 12.436 ( -0.791 -2.619 0.970) 2.902 12.480 ( -3.848 -3.087 -2.267) 5.429 12.628 ( -1.053 -2.146 0.718) 2.496 12.757 ( 6.103 1.562 -6.539) 9.080 12.778 ( -0.820 -2.111 -4.370) 4.922 12.798 ( 2.938 1.649 -3.544) 4.890 12.894 ( -2.043 1.289 1.953) 3.106 12.939 ( 0.550 -2.966 1.390) 3.321 12.999 ( 6.134 -2.013 1.331) 6.592 13.096 ( 2.188 -3.644 -0.788) 4.323 13.187 ( -1.796 -7.222 0.033) 7.442 13.331 ( 1.573 0.830 1.409) 2.269 13.378 ( 0.776 -4.278 -2.131) 4.842 13.484 ( -0.834 -3.716 -2.276) 4.437 13.755 ( -0.691 -2.040 2.039) 2.966 13.805 ( -3.760 -2.060 0.175) 4.291 13.857 ( -0.775 2.729 4.093) 4.980 13.964 ( -2.224 0.824 0.220) 2.382 14.101 ( -3.045 -3.535 1.897) 5.036 14.143 ( 1.831 -8.990 1.187) 9.251 14.408 ( 8.126 -1.461 -6.370) 10.428 14.508 ( 4.429 -3.861 -2.882) 6.544 14.721 ( -3.608 -0.220 2.192) 4.227 14.873 ( 0.651 2.973 0.285) 3.057 14.984 ( 5.695 1.841 -3.970) 7.182 15.086 ( 2.939 -5.825 6.264) 9.044 15.111 ( -2.854 -0.246 -1.551) 3.257 15.227 ( 2.816 1.644 -5.606) 6.486 15.378 ( -0.940 -5.522 -1.298) 5.750 15.666 ( 1.070 -0.092 -2.338) 2.573 15.791 ( -4.192 -2.122 -2.273) 5.219 15.985 ( -3.039 2.301 7.797) 8.679 16.203 ( -5.683 2.732 0.996) 6.384 16.284 ( -2.395 3.983 -3.393) 5.754 16.369 ( -0.699 -0.364 4.056) 4.132 16.448 ( 0.156 -1.716 3.078) 3.527 16.648 ( 1.745 4.768 -1.338) 5.251 16.672 ( -1.941 -1.376 5.737) 6.211 16.811 ( 0.060 2.199 4.286) 4.818 16.840 ( -0.656 -0.051 1.208) 1.376 16.993 ( -1.326 -0.160 -2.264) 2.628 17.094 ( 0.775 2.710 0.941) 2.971 17.213 ( -1.268 -0.164 1.025) 1.639 17.310 ( -1.819 4.873 0.108) 5.202 17.503 ( -7.765 5.497 -1.023) 9.568 17.521 ( 3.360 3.004 -1.245) 4.676 17.670 ( -0.396 4.693 -6.353) 7.908 17.879 ( -1.527 0.410 -1.437) 2.137 18.317 ( -0.329 -7.765 -11.868) 14.186 18.546 ( 0.352 -19.536 -6.314) 20.534 19.021 ( 7.960 6.835 8.080) 13.242 19.315 ( 9.243 3.556 7.186) 12.236 19.475 ( -0.145 -0.074 0.769) 0.786 19.506 ( 1.751 -0.804 4.173) 4.596 21.797 ( -0.699 0.812 -0.414) 1.148 22.192 ( 0.468 5.667 -0.443) 5.703 22.462 ( -1.026 -6.492 1.368) 6.714 22.836 ( 0.678 -5.273 -1.684) 5.577 23.713 ( -0.247 -2.369 0.605) 2.457 23.828 ( -0.129 -1.678 0.058) 1.684 24.340 ( -0.124 2.000 0.842) 2.173 24.388 ( 0.737 4.748 -0.737) 4.861 24.685 ( 2.354 -0.873 -1.741) 3.055 24.734 ( 0.200 4.751 0.928) 4.845 24.881 ( -0.272 -3.651 1.168) 3.843 24.940 ( 0.357 0.651 -1.488) 1.663 25.026 ( 0.194 -0.105 -1.569) 1.585 25.450 ( 0.092 4.407 1.425) 4.633 25.573 ( -3.805 -1.805 -0.333) 4.225 25.973 ( -2.125 2.536 0.725) 3.387 ======================= Grid point 107 (58/65) ======================= q-point: ( 0.40 0.38 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.206 ( -6.944 21.184 2.832) 22.472 3.317 ( -9.479 17.705 5.764) 20.894 3.448 ( -0.722 18.660 -2.563) 18.849 3.605 ( 13.007 11.586 -14.213) 22.482 3.779 ( 9.158 11.276 3.906) 15.042 3.907 ( 0.957 18.047 7.476) 19.558 4.155 ( -9.273 -15.021 -0.853) 17.673 4.285 ( 0.200 -12.701 -0.463) 12.711 4.469 ( -1.947 0.144 -4.321) 4.741 4.507 ( -1.514 2.966 -8.668) 9.285 4.616 ( -1.204 0.255 -7.103) 7.209 4.680 ( -1.174 -8.544 -5.390) 10.171 4.773 ( -1.232 -12.189 -5.495) 13.427 4.947 ( 1.959 -9.593 -5.610) 11.284 4.998 ( -1.313 -0.718 -7.248) 7.401 5.218 ( -4.475 9.124 4.134) 10.971 5.419 ( -11.715 -1.910 2.652) 12.162 5.499 ( -0.505 13.483 6.471) 14.964 5.527 ( 2.234 3.688 4.565) 6.280 5.831 ( -0.352 4.778 1.823) 5.126 5.915 ( -1.725 5.957 -0.180) 6.205 5.993 ( 1.731 5.788 -9.425) 11.195 6.047 ( -0.024 -0.738 -3.372) 3.452 6.136 ( -1.901 1.476 3.042) 3.879 6.224 ( -0.165 -5.421 -5.313) 7.592 6.439 ( 5.403 0.785 4.259) 6.924 6.570 ( -1.262 3.882 -5.505) 6.853 6.727 ( -6.169 6.947 1.374) 9.392 6.776 ( -5.196 1.522 -1.330) 5.575 6.872 ( 2.108 9.004 -1.650) 9.393 6.904 ( -4.145 3.368 4.652) 7.083 7.033 ( 7.343 7.583 0.744) 10.582 7.068 ( 1.008 3.692 4.947) 6.254 7.176 ( 9.949 2.627 10.016) 14.360 7.319 ( -0.559 11.127 1.807) 11.287 7.337 ( 12.354 10.254 1.343) 16.111 7.431 ( 9.621 4.192 15.641) 18.836 7.559 ( 9.608 -0.951 4.227) 10.540 7.670 ( 4.234 5.374 1.593) 7.025 7.800 ( 9.906 -8.101 -7.035) 14.603 7.957 ( -2.465 4.220 5.719) 7.523 7.982 ( -0.053 8.767 4.755) 9.973 8.084 ( 5.235 15.828 -1.004) 16.702 8.154 ( -3.779 5.753 -8.259) 10.751 8.283 ( -0.346 6.944 8.634) 11.086 8.302 ( -5.875 4.891 3.479) 8.399 8.357 ( -2.963 9.017 -3.624) 10.160 8.503 ( 9.687 1.507 2.245) 10.058 8.518 ( -9.385 7.501 11.496) 16.628 8.732 ( -0.134 3.336 8.593) 9.218 8.931 ( 2.544 3.430 -7.416) 8.558 8.943 ( -3.114 -2.010 1.773) 4.109 9.068 ( -7.639 0.766 3.859) 8.593 9.240 ( -7.170 -1.823 -12.014) 14.110 9.315 ( -4.635 -2.091 -9.387) 10.676 9.351 ( 5.310 -9.363 0.031) 10.764 9.394 ( 3.779 -0.346 -1.930) 4.257 9.559 ( -3.583 0.400 1.657) 3.968 9.566 ( -6.180 -2.936 -6.381) 9.356 9.741 ( 1.766 -0.360 2.484) 3.069 9.792 ( 0.218 -0.762 1.892) 2.051 9.859 ( -4.258 -0.239 -1.592) 4.552 9.940 ( -4.453 0.060 -7.206) 8.471 10.001 ( -7.153 -4.887 -2.285) 8.959 10.134 ( 0.081 0.510 -1.201) 1.307 10.185 ( 1.447 5.039 -3.199) 6.142 10.281 ( -1.045 -4.100 -0.583) 4.271 10.330 ( -1.929 -3.362 -0.491) 3.907 10.376 ( 2.435 -4.138 2.458) 5.394 10.451 ( -0.362 2.573 -3.919) 4.702 10.498 ( -2.034 -6.354 -6.110) 9.047 10.619 ( -0.876 -9.988 -1.779) 10.183 10.877 ( -0.602 -11.431 0.806) 11.475 10.896 ( 2.251 -1.481 -1.870) 3.280 10.955 ( 3.027 4.236 -1.209) 5.344 11.014 ( -2.963 3.328 -0.913) 4.548 11.086 ( 0.271 -7.029 -0.748) 7.074 11.098 ( 0.659 -0.189 1.276) 1.448 11.226 ( 2.883 -6.276 -7.143) 9.936 11.352 ( -1.411 -2.842 1.345) 3.446 11.442 ( 0.125 -3.735 2.811) 4.676 11.503 ( 0.357 1.835 -1.450) 2.366 11.575 ( 0.024 -0.117 1.410) 1.415 11.634 ( 0.739 0.103 1.719) 1.874 11.732 ( 4.389 6.077 -3.350) 8.211 11.743 ( 4.781 -5.328 3.668) 8.044 11.837 ( -0.348 0.503 4.341) 4.384 11.909 ( -1.387 2.671 4.023) 5.024 11.951 ( -3.750 3.195 3.220) 5.885 12.036 ( 1.798 3.062 -3.315) 4.858 12.073 ( 3.312 -5.710 -0.691) 6.637 12.107 ( -0.213 0.673 7.772) 7.804 12.231 ( -0.411 3.197 5.470) 6.349 12.297 ( -0.647 2.984 0.359) 3.075 12.327 ( -3.326 -8.150 -2.776) 9.230 12.379 ( -0.052 -7.098 -1.582) 7.272 12.433 ( 0.427 -0.115 -1.232) 1.309 12.608 ( -2.784 -3.505 5.363) 6.985 12.704 ( -1.957 -0.338 -2.860) 3.482 12.776 ( 1.726 -2.118 -8.218) 8.661 12.808 ( -1.699 0.782 -1.526) 2.414 12.885 ( 1.673 -3.431 0.495) 3.849 12.956 ( 1.012 5.555 1.888) 5.954 13.089 ( 0.778 -5.857 0.486) 5.928 13.141 ( -1.315 -3.682 0.666) 3.965 13.188 ( 4.039 -6.758 -1.525) 8.019 13.341 ( -1.517 -5.547 0.476) 5.770 13.434 ( 1.832 -1.330 -0.933) 2.449 13.455 ( 3.079 -0.140 -2.480) 3.956 13.706 ( -2.387 -1.700 -0.178) 2.936 13.781 ( 0.022 -0.272 3.527) 3.538 13.867 ( -1.032 2.865 0.048) 3.045 13.965 ( 0.934 0.116 4.002) 4.112 14.053 ( -2.182 -3.320 1.794) 4.359 14.232 ( 4.654 -6.375 3.442) 8.611 14.503 ( -7.008 0.242 -4.134) 8.140 14.568 ( 7.057 -0.133 -4.387) 8.310 14.611 ( 0.429 -1.708 1.446) 2.279 14.778 ( -7.859 -0.063 -4.061) 8.846 14.976 ( 0.527 1.949 -1.557) 2.549 15.050 ( -1.091 -2.997 -1.564) 3.552 15.286 ( 9.909 0.600 2.071) 10.140 15.386 ( 2.744 -6.991 -0.290) 7.516 15.408 ( 11.025 -0.730 2.258) 11.278 15.618 ( -3.511 0.452 -4.310) 5.577 15.649 ( -6.879 -0.807 -3.175) 7.619 15.896 ( -8.368 -1.266 2.694) 8.882 16.125 ( -3.743 7.527 5.302) 9.939 16.236 ( -0.847 3.155 -2.397) 4.052 16.455 ( 5.878 -3.497 2.197) 7.184 16.488 ( 1.836 -2.754 3.923) 5.133 16.629 ( -2.809 -2.483 1.116) 3.911 16.682 ( 0.342 7.901 0.247) 7.912 16.835 ( -2.277 2.045 8.356) 8.899 16.888 ( 2.032 -1.127 3.569) 4.259 16.915 ( -4.271 1.759 1.273) 4.791 17.109 ( -0.142 2.160 1.304) 2.527 17.202 ( -1.029 0.060 2.134) 2.370 17.300 ( -6.652 9.457 -6.103) 13.074 17.326 ( 2.591 4.259 -0.009) 4.986 17.540 ( -0.773 0.792 -6.011) 6.112 17.616 ( 2.326 8.278 -9.378) 12.723 17.843 ( -1.867 -3.719 2.919) 5.083 18.295 ( 5.682 -12.835 -12.009) 18.473 18.390 ( -7.008 -16.463 -4.167) 18.371 19.308 ( 9.454 4.481 7.610) 12.937 19.460 ( 1.829 0.364 0.269) 1.885 19.466 ( -1.983 0.662 0.956) 2.299 19.654 ( 5.088 6.114 10.274) 12.994 21.784 ( -0.127 0.758 -0.269) 0.814 22.193 ( 0.105 5.104 -0.616) 5.142 22.461 ( -0.231 -7.100 1.805) 7.329 22.813 ( -0.932 -6.439 -3.016) 7.171 23.713 ( -0.184 -2.516 0.561) 2.584 23.826 ( -0.105 -1.521 0.154) 1.532 24.343 ( -0.189 1.974 0.690) 2.100 24.397 ( 0.559 4.606 -0.708) 4.693 24.718 ( 1.372 0.192 -1.000) 1.709 24.747 ( 0.531 4.587 0.242) 4.624 24.886 ( -0.208 -3.510 1.382) 3.778 24.933 ( -0.041 1.439 -0.950) 1.725 25.015 ( 0.345 -0.858 -2.466) 2.633 25.469 ( 0.409 2.803 1.430) 3.173 25.501 ( -2.314 -0.184 0.325) 2.344 25.936 ( -1.547 2.576 0.546) 3.054 ======================= Grid point 108 (59/65) ======================= q-point: (-0.40 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.058 ( -13.546 22.513 17.028) 31.310 3.088 ( -12.496 27.097 12.086) 32.194 3.601 ( 11.226 14.265 -10.894) 21.170 3.691 ( 12.401 12.242 -19.145) 25.888 3.929 ( -6.260 -3.761 -7.750) 10.649 4.043 ( 6.256 12.600 3.444) 14.483 4.064 ( 8.925 -2.484 5.725) 10.890 4.301 ( -2.550 3.730 -5.201) 6.890 4.364 ( 4.365 -8.044 5.182) 10.518 4.492 ( -2.471 -6.576 -3.861) 8.016 4.541 ( 4.315 -7.698 -7.551) 11.614 4.642 ( -0.591 2.655 -0.207) 2.728 4.712 ( -7.614 -3.044 -1.050) 8.267 4.851 ( -1.374 -9.688 4.514) 10.776 4.996 ( 3.034 -4.418 -5.615) 7.762 5.246 ( 4.367 3.857 1.460) 6.006 5.430 ( 10.657 0.008 1.344) 10.741 5.489 ( -2.836 8.401 5.881) 10.640 5.600 ( 0.953 8.710 0.826) 8.801 5.821 ( -3.561 4.810 5.555) 8.166 5.869 ( -3.162 7.775 1.559) 8.537 5.929 ( -1.892 3.090 -6.008) 7.016 6.026 ( 1.715 0.058 -1.298) 2.152 6.133 ( -0.907 -6.853 0.885) 6.969 6.222 ( 0.849 -3.858 -2.400) 4.622 6.466 ( -4.535 6.209 -0.207) 7.692 6.519 ( -1.988 4.339 0.569) 4.806 6.728 ( 8.310 -1.587 2.696) 8.879 6.764 ( 2.085 9.787 0.025) 10.006 6.841 ( -2.380 6.606 0.162) 7.024 6.904 ( 1.057 4.792 4.469) 6.637 7.022 ( -6.380 3.082 2.715) 7.587 7.130 ( -1.807 8.291 -2.880) 8.961 7.278 ( -1.193 10.715 -1.266) 10.855 7.422 ( 6.456 7.134 -4.844) 10.772 7.449 ( -4.527 5.858 -7.511) 10.547 7.547 ( -4.033 -6.257 12.556) 14.597 7.644 ( -10.133 7.416 -4.085) 13.205 7.679 ( -4.119 6.632 -0.734) 7.841 7.822 ( -0.630 6.254 -10.753) 12.456 7.937 ( -0.159 3.103 1.142) 3.310 7.969 ( -3.312 4.178 7.353) 9.082 8.033 ( -5.657 10.740 0.866) 12.170 8.151 ( 1.699 4.901 -7.012) 8.722 8.262 ( 10.923 1.491 -1.416) 11.115 8.362 ( 2.289 4.850 1.327) 5.525 8.430 ( 3.868 12.190 11.140) 16.960 8.471 ( 0.261 5.379 4.148) 6.798 8.682 ( -2.880 0.428 -0.294) 2.927 8.723 ( -1.665 9.173 4.320) 10.275 8.808 ( -5.527 -4.883 3.242) 8.056 8.979 ( 4.289 3.154 -0.080) 5.324 9.029 ( 1.528 1.727 7.113) 7.477 9.141 ( 4.534 -0.451 -6.821) 8.203 9.223 ( 1.274 2.772 -4.203) 5.193 9.335 ( -2.370 -4.395 -1.673) 5.266 9.427 ( -8.826 -4.298 -0.219) 9.819 9.464 ( 1.288 -4.711 -0.567) 4.916 9.593 ( 6.091 -0.726 10.018) 11.746 9.698 ( -1.714 2.377 -7.116) 7.696 9.773 ( 0.290 1.011 2.147) 2.391 9.839 ( 0.167 3.648 1.369) 3.900 9.868 ( -1.684 -5.211 0.704) 5.522 10.019 ( 4.004 -3.919 -1.275) 5.746 10.088 ( -1.735 4.487 2.163) 5.275 10.211 ( 1.759 -1.617 -2.991) 3.828 10.276 ( 5.338 -5.645 -3.368) 8.467 10.294 ( 0.023 -4.287 1.398) 4.509 10.420 ( 1.245 -3.046 -2.269) 3.997 10.447 ( 0.842 -2.069 -2.371) 3.258 10.474 ( 4.820 -3.833 -3.382) 7.026 10.616 ( 0.440 -12.734 0.815) 12.767 10.847 ( -1.960 -6.005 1.532) 6.499 10.908 ( 0.172 1.980 0.089) 1.989 10.951 ( 2.182 -3.721 -4.487) 6.224 11.022 ( 0.515 -0.511 0.140) 0.739 11.096 ( 0.257 -4.748 -1.081) 4.877 11.150 ( 1.086 -1.580 -1.281) 2.306 11.186 ( -0.816 -11.277 -6.969) 13.281 11.355 ( -1.817 -2.075 3.406) 4.383 11.445 ( 1.671 9.470 0.025) 9.616 11.476 ( 0.478 -5.847 -0.136) 5.868 11.596 ( -2.913 6.265 4.671) 8.340 11.612 ( -1.918 -1.699 -0.899) 2.715 11.718 ( -1.919 1.851 -0.995) 2.846 11.790 ( -3.432 -4.601 -0.498) 5.761 11.895 ( -0.540 -0.183 -0.292) 0.640 11.935 ( 2.068 1.263 0.615) 2.500 11.978 ( 1.493 0.364 5.092) 5.319 12.021 ( 0.658 0.559 -0.733) 1.133 12.053 ( 0.637 2.284 -0.881) 2.529 12.180 ( 0.546 -0.547 1.469) 1.660 12.242 ( -2.969 0.032 -1.466) 3.311 12.267 ( 1.631 -4.819 3.845) 6.378 12.294 ( -1.588 0.310 2.899) 3.320 12.379 ( 2.420 -2.575 -2.616) 4.396 12.452 ( 1.597 -0.032 -2.287) 2.789 12.598 ( -3.122 -2.956 6.973) 8.191 12.667 ( -1.076 -0.183 1.324) 1.715 12.735 ( 1.133 -2.600 -6.810) 7.377 12.782 ( -0.354 0.720 0.061) 0.805 12.895 ( -0.411 -0.489 0.672) 0.927 13.001 ( 0.373 1.884 1.963) 2.746 13.097 ( 0.811 -2.801 -4.084) 5.018 13.118 ( -0.803 -9.917 1.986) 10.145 13.213 ( 0.743 -4.572 -2.787) 5.406 13.314 ( -1.944 -5.718 1.005) 6.123 13.434 ( 0.809 -0.946 -0.810) 1.485 13.469 ( -1.614 0.022 -2.832) 3.259 13.691 ( 0.092 -1.851 1.229) 2.224 13.829 ( 0.093 -1.892 1.512) 2.424 13.846 ( 2.321 5.151 -0.743) 5.699 14.020 ( 0.455 1.431 -0.096) 1.505 14.056 ( 0.455 -3.290 1.594) 3.684 14.238 ( -10.497 -3.905 4.574) 12.098 14.370 ( 2.721 -2.173 4.889) 6.002 14.562 ( -7.233 -1.093 -3.515) 8.116 14.669 ( 3.737 0.185 -1.961) 4.224 14.728 ( 7.283 0.008 -0.939) 7.343 14.989 ( 1.250 0.733 -2.911) 3.252 15.026 ( -0.320 -2.810 0.843) 2.951 15.364 ( -11.161 3.254 -4.463) 12.453 15.393 ( 0.168 -4.594 -1.998) 5.013 15.489 ( -3.999 -5.476 -3.729) 7.739 15.555 ( 5.047 1.566 2.314) 5.769 15.588 ( 2.691 -3.066 0.746) 4.147 15.888 ( 8.104 -1.495 3.174) 8.831 16.134 ( 0.596 5.698 5.970) 8.275 16.218 ( 0.491 3.758 -2.042) 4.305 16.492 ( -4.106 -3.617 -0.689) 5.515 16.532 ( -0.205 -1.007 -0.242) 1.056 16.644 ( 4.647 -0.290 -1.169) 4.800 16.715 ( 2.961 6.375 -1.474) 7.182 16.830 ( -5.020 3.154 7.043) 9.206 16.890 ( -1.245 0.203 4.570) 4.741 16.938 ( 1.833 -0.310 3.134) 3.644 17.110 ( -0.782 1.697 0.941) 2.092 17.202 ( 0.715 7.017 -4.896) 8.587 17.224 ( 1.780 4.679 6.280) 8.031 17.391 ( 2.449 0.777 1.412) 2.932 17.424 ( -2.165 2.027 -8.818) 9.304 17.607 ( 1.936 8.850 -6.189) 10.971 17.848 ( -0.945 -4.288 4.728) 6.452 18.199 ( -4.386 -13.668 -4.129) 14.937 18.403 ( 7.593 -17.382 -4.706) 19.543 19.361 ( -9.217 5.209 1.923) 10.761 19.451 ( -2.713 0.347 1.049) 2.930 19.474 ( 2.976 2.439 1.177) 4.024 19.758 ( -0.494 5.243 0.696) 5.312 21.786 ( 0.548 0.940 -0.460) 1.182 22.188 ( -0.362 4.613 -0.092) 4.628 22.470 ( -0.367 -8.579 1.193) 8.669 22.777 ( -0.615 -4.883 -0.223) 4.927 23.713 ( -0.147 -2.617 0.456) 2.661 23.827 ( 0.029 -1.439 0.167) 1.448 24.342 ( -0.412 1.934 0.744) 2.112 24.397 ( -0.012 4.662 -0.710) 4.716 24.716 ( -0.805 0.955 -0.770) 1.468 24.751 ( -0.318 3.844 -0.166) 3.860 24.891 ( -0.435 -3.861 1.261) 4.085 24.930 ( 0.392 2.088 -0.491) 2.180 25.005 ( 0.579 -0.652 -2.103) 2.276 25.482 ( -1.072 0.265 1.672) 2.004 25.498 ( 2.652 1.270 -0.746) 3.034 25.940 ( 1.845 2.840 0.141) 3.389 ======================= Grid point 109 (60/65) ======================= q-point: (-0.20 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.930 ( -7.507 25.496 10.878) 28.718 3.058 ( -7.277 24.532 25.947) 36.442 3.584 ( -0.849 15.438 -9.955) 18.389 3.779 ( -2.205 1.755 -12.466) 12.781 3.914 ( 16.983 10.402 -15.822) 25.435 4.031 ( 4.923 6.978 -3.314) 9.160 4.270 ( -1.635 -5.895 -2.543) 6.625 4.367 ( -2.009 7.836 5.386) 9.719 4.395 ( 9.219 -5.882 -1.109) 10.992 4.481 ( -1.282 2.893 5.854) 6.655 4.592 ( 2.959 -1.746 2.389) 4.185 4.644 ( 4.524 9.654 4.105) 11.424 4.798 ( 8.944 -11.083 6.359) 15.597 4.868 ( 0.677 -2.279 3.583) 4.300 5.018 ( 3.601 -3.374 -5.289) 7.234 5.335 ( -4.406 11.796 -2.811) 12.902 5.494 ( 6.591 4.581 4.643) 9.273 5.566 ( -1.487 7.879 -3.005) 8.563 5.700 ( 2.965 -1.560 0.960) 3.485 5.786 ( 1.205 -5.546 4.645) 7.334 5.850 ( -0.808 4.445 5.002) 6.741 5.871 ( 1.218 3.345 0.290) 3.572 6.087 ( 2.625 -5.407 -2.408) 6.475 6.130 ( 1.193 -0.414 3.458) 3.682 6.211 ( 1.629 -0.410 -1.686) 2.380 6.444 ( -3.409 5.524 2.712) 7.035 6.515 ( 2.948 4.286 4.335) 6.772 6.711 ( -5.572 16.924 -0.347) 17.821 6.792 ( -10.588 5.856 2.010) 12.265 6.816 ( -6.821 2.080 -2.724) 7.634 6.883 ( 3.400 1.267 -1.527) 3.936 6.998 ( -0.586 3.668 0.470) 3.744 7.078 ( -1.747 1.417 -1.289) 2.593 7.168 ( 0.237 2.194 -5.435) 5.866 7.226 ( -2.710 -3.397 -1.013) 4.462 7.304 ( -11.811 8.415 -10.261) 17.765 7.409 ( -4.600 0.231 -5.819) 7.421 7.538 ( -4.349 5.138 -7.493) 10.072 7.596 ( 0.701 -2.226 -8.448) 8.764 7.652 ( -0.973 3.657 -4.588) 5.947 7.905 ( -6.889 7.639 3.279) 10.797 7.957 ( -5.096 4.534 8.554) 10.941 8.001 ( -0.647 4.654 0.451) 4.720 8.110 ( -0.425 4.290 -3.303) 5.431 8.221 ( -12.637 3.898 -8.826) 15.900 8.366 ( 1.128 3.441 -3.274) 4.882 8.473 ( -1.958 0.459 -9.138) 9.357 8.547 ( 7.518 -3.124 -0.943) 8.195 8.619 ( -1.396 9.273 12.531) 15.652 8.735 ( -4.740 -5.179 5.265) 8.775 8.943 ( 5.324 4.797 1.651) 7.355 9.031 ( 1.756 7.500 -2.414) 8.072 9.129 ( -1.068 7.566 6.747) 10.194 9.198 ( 4.062 7.077 8.278) 11.624 9.216 ( 2.413 1.771 1.119) 3.195 9.331 ( 5.696 3.426 1.128) 6.742 9.465 ( 8.237 -3.122 5.368) 10.316 9.556 ( -1.424 -1.290 3.603) 4.083 9.629 ( 0.641 1.528 -5.334) 5.586 9.740 ( -0.075 -1.591 2.655) 3.096 9.803 ( 4.082 -1.473 10.682) 11.530 9.864 ( 1.807 -0.860 -0.056) 2.002 9.971 ( 2.242 0.930 4.537) 5.145 10.001 ( -2.561 1.828 1.847) 3.649 10.057 ( 2.722 -0.983 3.973) 4.916 10.234 ( 1.843 0.589 -2.143) 2.887 10.356 ( 2.340 -3.293 0.690) 4.099 10.416 ( 2.325 -0.818 0.107) 2.467 10.450 ( 4.082 -6.407 -3.356) 8.305 10.466 ( 7.650 -2.080 -6.071) 9.986 10.533 ( 2.700 -3.085 -4.060) 5.769 10.646 ( 2.517 -13.254 -0.738) 13.511 10.812 ( -1.116 0.122 -0.530) 1.242 10.924 ( -1.822 -4.839 -0.340) 5.182 10.974 ( 3.264 -2.203 -0.892) 4.038 11.012 ( 2.770 0.171 -2.930) 4.036 11.088 ( -2.081 -4.023 -2.166) 5.020 11.164 ( 0.936 -2.347 -1.638) 3.012 11.176 ( 6.987 -0.961 1.350) 7.181 11.295 ( -6.888 -1.586 4.646) 8.458 11.440 ( -6.950 7.362 -0.157) 10.126 11.480 ( -2.648 -3.204 -0.526) 4.190 11.513 ( 0.839 0.784 -2.515) 2.765 11.608 ( -4.325 6.393 -1.179) 7.808 11.625 ( -0.171 -4.817 -0.236) 4.826 11.753 ( 0.841 -6.214 0.106) 6.271 11.849 ( -4.640 -0.697 3.676) 5.961 11.912 ( -1.201 -2.499 -3.410) 4.395 11.961 ( -0.736 2.723 -1.440) 3.167 12.013 ( -2.150 -3.190 -4.017) 5.562 12.146 ( -2.762 -0.208 0.898) 2.912 12.192 ( 5.844 -2.605 0.093) 6.398 12.234 ( -0.238 -1.772 7.388) 7.601 12.266 ( -0.669 -1.158 2.512) 2.846 12.359 ( 1.184 0.971 3.983) 4.267 12.406 ( 3.833 -1.638 -5.876) 7.204 12.458 ( 1.655 -0.643 -1.748) 2.492 12.582 ( -1.980 -2.164 2.774) 4.037 12.657 ( -2.648 0.598 5.732) 6.342 12.729 ( -1.557 1.843 -2.198) 3.264 12.775 ( 2.265 -3.312 -2.562) 4.760 12.915 ( 0.861 0.958 1.303) 1.832 12.956 ( -5.169 -0.924 5.388) 7.523 13.083 ( 1.712 0.517 -9.243) 9.415 13.128 ( 0.685 -9.634 -2.648) 10.015 13.196 ( -0.295 -3.077 -1.502) 3.437 13.282 ( -1.857 -3.596 4.791) 6.271 13.371 ( -3.376 -0.166 -2.857) 4.426 13.473 ( 2.676 -5.248 -0.680) 5.930 13.738 ( 2.264 -0.448 2.161) 3.161 13.821 ( 0.054 -1.290 -0.783) 1.510 13.920 ( -2.586 0.174 0.313) 2.611 13.945 ( 1.079 0.557 2.607) 2.876 14.082 ( 1.162 -3.309 1.809) 3.946 14.164 ( -1.991 -4.112 0.722) 4.625 14.394 ( -3.664 -3.175 -6.169) 7.846 14.451 ( 0.613 -2.246 3.985) 4.615 14.722 ( 1.114 -1.186 0.325) 1.659 14.880 ( 3.219 2.329 1.721) 4.330 14.950 ( -2.098 1.337 -2.655) 3.638 15.054 ( 0.205 -1.647 4.023) 4.352 15.137 ( -4.640 2.879 0.404) 5.476 15.249 ( -6.197 -4.465 -7.106) 10.432 15.418 ( 0.901 -6.506 -4.330) 7.867 15.615 ( 1.591 -0.328 1.866) 2.474 15.750 ( 6.560 -1.585 1.676) 6.954 16.105 ( 5.508 1.161 -1.477) 5.820 16.198 ( 3.027 4.255 4.308) 6.769 16.221 ( 2.097 1.671 -0.812) 2.802 16.402 ( -2.390 -1.685 -0.845) 3.044 16.515 ( -1.069 -0.053 -1.783) 2.080 16.647 ( -2.668 5.440 -0.329) 6.068 16.747 ( -2.853 2.032 -0.031) 3.503 16.790 ( -1.081 1.152 4.920) 5.167 16.880 ( -0.552 -2.178 0.604) 2.326 16.974 ( 0.461 -1.223 -2.722) 3.019 17.090 ( -1.432 2.011 0.662) 2.556 17.219 ( 2.142 3.060 -0.409) 3.757 17.326 ( 1.620 4.324 -0.598) 4.656 17.407 ( 3.653 8.702 5.135) 10.744 17.483 ( 3.541 -3.589 5.162) 7.215 17.621 ( 5.870 11.198 -6.415) 14.177 17.869 ( -0.272 -3.039 3.942) 4.985 18.151 ( 1.643 -9.186 1.385) 9.434 18.525 ( 5.839 -21.323 -3.120) 22.327 19.127 ( -11.867 8.357 -1.641) 14.606 19.369 ( -6.317 1.784 0.142) 6.566 19.495 ( -0.298 1.234 -0.793) 1.496 19.637 ( -7.482 0.757 -5.944) 9.586 21.798 ( 0.938 1.016 -0.558) 1.491 22.181 ( -0.347 5.022 0.541) 5.063 22.468 ( -0.246 -8.033 0.790) 8.076 22.788 ( 0.431 -3.359 2.373) 4.135 23.714 ( -0.180 -2.521 0.443) 2.566 23.829 ( 0.068 -1.555 0.069) 1.558 24.339 ( -0.532 1.921 0.925) 2.197 24.388 ( -0.155 4.844 -0.759) 4.906 24.684 ( -0.986 -0.173 -1.593) 1.881 24.738 ( -0.868 4.124 0.471) 4.241 24.887 ( -0.755 -4.101 0.996) 4.287 24.939 ( 0.812 1.665 -1.043) 2.126 25.010 ( 0.978 -0.029 -0.821) 1.278 25.464 ( -1.298 2.544 0.709) 2.942 25.569 ( 3.904 -0.964 -0.311) 4.033 25.988 ( 2.145 2.247 -0.561) 3.157 ======================= Grid point 110 (61/65) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.169 ( 0.500 0.000 0.548) 0.742 3.482 ( 0.405 0.000 4.576) 4.594 3.609 ( 0.066 0.000 8.482) 8.483 3.820 ( 1.598 0.000 2.341) 2.835 4.099 ( -0.808 0.000 -2.766) 2.882 4.157 ( -1.290 0.000 -3.366) 3.604 4.192 ( -1.400 0.000 0.840) 1.632 4.355 ( 1.770 0.000 -9.344) 9.511 4.421 ( -0.248 0.000 -1.712) 1.730 4.581 ( 0.992 0.000 -4.203) 4.319 4.663 ( 1.393 0.000 -1.588) 2.112 4.842 ( 5.007 0.000 4.022) 6.423 4.956 ( 4.364 0.000 0.721) 4.424 5.032 ( 3.982 0.000 -0.298) 3.993 5.034 ( 7.830 -0.000 5.684) 9.675 5.301 ( -7.851 0.000 -5.258) 9.449 5.454 ( -4.390 0.000 1.339) 4.590 5.652 ( -3.272 0.000 -2.828) 4.324 5.703 ( 1.378 0.000 0.320) 1.415 5.812 ( 5.204 0.000 -1.703) 5.476 5.894 ( -3.941 0.000 4.312) 5.842 5.962 ( 2.819 0.000 1.537) 3.211 5.990 ( 5.830 0.000 -3.863) 6.994 6.252 ( -2.804 0.000 1.779) 3.321 6.346 ( 3.919 0.000 12.184) 12.799 6.461 ( 0.184 0.000 4.897) 4.900 6.638 ( -8.781 0.000 -11.200) 14.232 6.671 ( -1.142 0.000 5.150) 5.275 6.715 ( -0.630 0.000 3.749) 3.802 6.788 ( -0.053 0.000 -2.605) 2.605 6.799 ( 1.144 0.000 6.873) 6.968 6.974 ( -1.917 0.000 -4.220) 4.636 7.062 ( -4.388 0.000 -9.797) 10.735 7.088 ( -2.308 0.000 1.674) 2.852 7.220 ( 1.353 0.000 -10.484) 10.571 7.230 ( -0.103 0.000 -0.371) 0.385 7.334 ( -0.820 0.000 -5.883) 5.940 7.376 ( 8.202 0.000 7.849) 11.353 7.590 ( -5.620 0.000 -6.805) 8.825 7.728 ( -12.033 0.000 -0.267) 12.036 7.842 ( 7.894 0.000 -5.767) 9.777 7.916 ( -1.786 0.000 -2.187) 2.824 8.066 ( -1.763 0.000 7.760) 7.958 8.110 ( -1.376 0.000 12.976) 13.049 8.274 ( -2.918 -0.000 -2.366) 3.757 8.292 ( -3.198 0.000 -3.495) 4.737 8.347 ( 4.849 0.000 -11.313) 12.308 8.354 ( 1.130 -0.000 -0.818) 1.395 8.685 ( -0.395 0.000 1.123) 1.191 8.831 ( 3.397 0.000 -3.293) 4.731 8.888 ( -5.519 -0.000 10.935) 12.249 9.143 ( -1.627 0.000 -0.713) 1.777 9.277 ( -3.641 0.000 4.322) 5.651 9.385 ( 1.087 0.000 7.765) 7.841 9.468 ( -0.039 0.000 3.237) 3.237 9.474 ( -3.085 0.000 1.032) 3.252 9.524 ( 5.232 0.000 -1.705) 5.503 9.577 ( -1.484 0.000 2.817) 3.184 9.687 ( -3.012 0.000 7.678) 8.248 9.812 ( 3.729 0.000 5.322) 6.499 9.844 ( 3.719 0.000 8.434) 9.217 9.961 ( 1.622 0.000 -2.565) 3.035 9.998 ( -2.597 0.000 -4.079) 4.836 10.032 ( 1.198 -0.000 -9.959) 10.030 10.170 ( 3.972 0.000 0.712) 4.036 10.201 ( -0.796 0.000 -0.247) 0.834 10.228 ( 3.276 0.000 -3.875) 5.074 10.351 ( -2.369 0.000 2.625) 3.536 10.440 ( -2.198 0.000 0.192) 2.206 10.484 ( -0.540 0.000 1.521) 1.614 10.596 ( 9.238 0.000 -9.119) 12.981 10.618 ( 6.391 0.000 -6.288) 8.966 10.790 ( 1.328 0.000 -4.693) 4.877 10.929 ( 2.697 0.000 11.435) 11.749 11.042 ( 1.425 0.000 -1.563) 2.116 11.043 ( 0.038 -0.000 2.691) 2.692 11.140 ( 0.649 0.000 -5.132) 5.173 11.189 ( 4.181 0.000 -1.013) 4.301 11.202 ( 2.080 0.000 -1.605) 2.627 11.236 ( -2.688 0.000 -1.050) 2.885 11.327 ( -1.815 -0.000 4.331) 4.696 11.428 ( -2.539 -0.000 2.022) 3.246 11.480 ( -1.008 0.000 0.998) 1.419 11.499 ( -5.521 -0.000 -8.879) 10.456 11.540 ( -1.716 0.000 -0.577) 1.810 11.723 ( -0.730 0.000 0.093) 0.736 11.739 ( 1.720 0.000 0.046) 1.721 11.859 ( -0.132 0.000 1.495) 1.501 11.896 ( -0.959 0.000 -0.480) 1.072 12.057 ( -1.624 0.000 -0.500) 1.699 12.070 ( 0.335 0.000 -0.549) 0.643 12.210 ( -2.355 -0.000 -2.391) 3.356 12.211 ( -4.081 0.000 1.145) 4.239 12.267 ( -2.047 0.000 2.746) 3.425 12.346 ( -0.445 0.000 10.256) 10.266 12.354 ( 1.671 -0.000 -3.099) 3.520 12.542 ( -7.827 0.000 3.670) 8.645 12.578 ( 9.543 0.000 2.814) 9.949 12.722 ( -1.239 -0.000 1.883) 2.254 12.747 ( 2.770 0.000 -1.634) 3.216 12.760 ( 2.600 -0.000 -1.499) 3.001 12.900 ( 1.897 0.000 -9.459) 9.647 12.906 ( -1.817 -0.000 0.868) 2.014 12.996 ( 0.774 0.000 0.735) 1.068 13.057 ( -1.571 0.000 -3.587) 3.916 13.127 ( -1.035 -0.000 0.029) 1.036 13.296 ( 0.798 0.000 2.337) 2.470 13.351 ( 0.103 0.000 1.176) 1.180 13.441 ( 1.390 0.000 -0.921) 1.667 13.773 ( 0.199 0.000 0.221) 0.297 13.780 ( -5.425 -0.000 5.694) 7.865 13.844 ( 3.485 0.000 0.003) 3.485 14.034 ( -1.719 0.000 -1.606) 2.352 14.059 ( 1.137 0.000 -0.026) 1.137 14.087 ( -5.045 0.000 4.636) 6.852 14.273 ( 5.433 0.000 -7.729) 9.447 14.437 ( 2.316 0.000 -5.316) 5.798 14.712 ( -0.972 0.000 3.274) 3.415 14.894 ( -0.691 0.000 2.702) 2.789 14.926 ( -2.298 0.000 -1.495) 2.742 14.988 ( 0.984 0.000 -3.234) 3.380 15.175 ( -0.092 0.000 -1.164) 1.167 15.223 ( 3.947 0.000 4.522) 6.002 15.336 ( -0.203 0.000 -2.550) 2.558 15.647 ( 1.485 0.000 -0.479) 1.561 15.811 ( 0.524 0.000 -0.969) 1.102 16.062 ( -4.659 0.000 -2.734) 5.402 16.253 ( -0.739 -0.000 0.761) 1.061 16.299 ( 2.452 0.000 0.636) 2.533 16.451 ( 3.651 0.000 0.672) 3.712 16.467 ( -5.169 0.000 2.575) 5.775 16.666 ( -3.189 0.000 1.157) 3.393 16.688 ( -2.922 0.000 3.543) 4.593 16.832 ( 0.284 0.000 -0.774) 0.824 16.835 ( 0.522 0.000 -0.162) 0.547 16.976 ( 1.771 0.000 -0.571) 1.861 17.115 ( -0.692 0.000 3.318) 3.390 17.231 ( -1.038 0.000 0.217) 1.060 17.466 ( -5.380 0.000 1.330) 5.542 17.491 ( 0.961 0.000 0.151) 0.973 17.505 ( 6.600 -0.000 -0.941) 6.667 17.778 ( -3.608 0.000 4.957) 6.131 18.025 ( 6.671 0.000 -4.524) 8.060 18.170 ( 2.378 -0.000 0.891) 2.540 18.306 ( 8.011 0.000 -5.333) 9.624 19.011 ( -4.983 0.000 -0.367) 4.996 19.241 ( -4.714 0.000 0.757) 4.775 19.478 ( -0.977 0.000 -0.567) 1.129 19.491 ( -1.798 0.000 -2.309) 2.926 21.819 ( 0.113 0.000 -0.492) 0.505 22.293 ( 0.334 0.000 1.552) 1.587 22.341 ( 0.200 0.000 -0.643) 0.673 22.783 ( 0.063 0.000 2.012) 2.013 23.688 ( -0.098 0.000 0.299) 0.315 23.812 ( 0.045 0.000 -0.311) 0.314 24.359 ( -0.695 0.000 2.028) 2.144 24.442 ( 1.026 0.000 -2.812) 2.994 24.651 ( 0.125 0.000 -0.813) 0.822 24.794 ( -1.185 0.000 3.137) 3.353 24.812 ( 0.102 -0.000 -0.148) 0.180 24.950 ( 1.408 0.000 -4.645) 4.854 25.031 ( 0.133 0.000 1.108) 1.116 25.506 ( -0.225 0.000 1.859) 1.873 25.577 ( -0.125 0.000 -0.961) 0.969 26.030 ( -0.294 0.000 -0.191) 0.351 ======================= Grid point 112 (62/65) ======================= q-point: ( 0.20 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.296 ( 11.027 0.000 -0.757) 11.053 3.553 ( 4.270 0.000 0.594) 4.311 3.708 ( 4.163 0.000 3.347) 5.342 3.861 ( -1.007 0.000 -2.706) 2.887 3.993 ( -7.244 -0.000 0.153) 7.245 3.997 ( -11.895 0.000 0.734) 11.917 4.134 ( -1.487 0.000 2.240) 2.688 4.228 ( -12.908 0.000 -1.487) 12.993 4.363 ( 4.642 0.000 -2.751) 5.396 4.565 ( 0.284 0.000 -0.868) 0.913 4.656 ( -1.682 0.000 -5.329) 5.588 4.805 ( -8.040 0.000 -14.263) 16.373 4.862 ( -7.308 0.000 -5.858) 9.366 4.943 ( -7.498 0.000 -7.063) 10.301 5.057 ( 1.089 0.000 -9.066) 9.132 5.350 ( 5.440 0.000 11.757) 12.954 5.467 ( -3.955 0.000 9.390) 10.189 5.611 ( -0.070 0.000 -0.649) 0.653 5.643 ( -8.833 0.000 0.315) 8.838 5.860 ( 5.504 0.000 -7.203) 9.065 5.869 ( 2.357 0.000 3.000) 3.816 6.006 ( 0.772 0.000 -0.407) 0.872 6.054 ( 3.121 0.000 -8.731) 9.272 6.270 ( -0.031 0.000 0.132) 0.136 6.364 ( -6.644 0.000 -10.534) 12.454 6.517 ( -1.853 0.000 13.501) 13.627 6.520 ( 2.376 -0.000 5.049) 5.580 6.753 ( 6.008 0.000 6.187) 8.624 6.779 ( 4.249 0.000 2.112) 4.745 6.863 ( 0.884 0.000 -7.605) 7.656 6.905 ( 4.513 0.000 1.840) 4.873 6.919 ( 3.351 0.000 7.979) 8.654 7.088 ( 5.870 0.000 6.528) 8.779 7.104 ( -1.663 0.000 2.393) 2.914 7.129 ( 0.624 0.000 -5.044) 5.083 7.250 ( 8.887 0.000 6.027) 10.737 7.379 ( 5.386 0.000 -3.246) 6.289 7.395 ( -2.717 0.000 -4.392) 5.165 7.618 ( 0.664 0.000 5.259) 5.301 7.646 ( 6.362 0.000 2.286) 6.760 7.924 ( 1.889 0.000 3.168) 3.689 8.054 ( 6.072 0.000 10.170) 11.845 8.140 ( 8.796 0.000 0.076) 8.796 8.236 ( 2.240 0.000 12.063) 12.270 8.244 ( 1.496 -0.000 -4.300) 4.553 8.252 ( 4.996 0.000 -7.882) 9.332 8.386 ( 1.559 0.000 0.433) 1.618 8.437 ( 10.035 -0.000 -3.752) 10.714 8.674 ( -0.716 0.000 -2.164) 2.280 8.825 ( -0.380 0.000 -5.013) 5.027 8.880 ( -6.732 -0.000 16.883) 18.176 9.056 ( -5.600 0.000 1.171) 5.721 9.135 ( -12.255 0.000 9.060) 15.240 9.334 ( -5.220 -0.000 -2.558) 5.813 9.398 ( -10.796 0.000 1.666) 10.924 9.475 ( 0.632 0.000 3.653) 3.707 9.487 ( -4.741 0.000 -3.618) 5.964 9.578 ( -1.705 0.000 1.996) 2.625 9.734 ( -5.074 0.000 -7.466) 9.027 9.787 ( -10.418 0.000 -7.055) 12.582 9.822 ( 6.389 0.000 4.693) 7.928 9.930 ( -4.923 0.000 -5.063) 7.062 9.983 ( 1.918 0.000 6.666) 6.937 9.995 ( -0.309 -0.000 -6.649) 6.656 10.171 ( 0.525 0.000 -4.303) 4.335 10.182 ( 0.524 -0.000 -4.646) 4.675 10.237 ( 3.092 0.000 -0.679) 3.165 10.330 ( -4.412 0.000 0.479) 4.438 10.421 ( 1.869 0.000 2.902) 3.451 10.422 ( -5.504 -0.000 -2.370) 5.993 10.596 ( -3.127 0.000 -6.553) 7.260 10.620 ( 1.023 0.000 -12.094) 12.137 10.849 ( 6.316 0.000 -3.130) 7.049 10.930 ( -7.476 0.000 0.691) 7.508 10.977 ( -2.490 0.000 -5.800) 6.312 11.005 ( -2.938 0.000 -4.469) 5.348 11.062 ( 0.827 0.000 -4.594) 4.668 11.191 ( -0.610 -0.000 -0.836) 1.035 11.201 ( -0.334 0.000 -4.504) 4.517 11.334 ( -1.904 0.000 5.398) 5.724 11.372 ( -2.560 0.000 7.090) 7.538 11.407 ( 7.570 0.000 -1.121) 7.653 11.465 ( 0.804 0.000 -0.292) 0.855 11.540 ( 6.403 0.000 5.270) 8.293 11.601 ( 4.912 0.000 3.006) 5.758 11.755 ( 4.507 0.000 1.968) 4.918 11.779 ( 2.205 0.000 0.571) 2.278 11.881 ( 0.430 0.000 1.661) 1.716 11.888 ( 2.354 -0.000 0.951) 2.539 12.030 ( -0.130 -0.000 1.612) 1.618 12.041 ( -1.483 0.000 -1.384) 2.029 12.189 ( -6.691 0.000 8.421) 10.756 12.220 ( 1.293 0.000 2.819) 3.101 12.270 ( -0.802 0.000 3.494) 3.585 12.329 ( -2.389 0.000 -0.325) 2.411 12.336 ( -0.208 -0.000 -2.708) 2.716 12.429 ( -1.792 0.000 0.608) 1.892 12.654 ( -3.765 0.000 3.174) 4.925 12.763 ( 1.405 0.000 -6.795) 6.939 12.795 ( 2.238 0.000 -1.099) 2.493 12.815 ( 3.177 0.000 -4.987) 5.913 12.845 ( -4.050 0.000 2.619) 4.823 12.927 ( 9.563 0.000 -4.433) 10.541 13.016 ( 0.719 -0.000 -1.138) 1.346 13.029 ( 0.172 0.000 1.504) 1.514 13.107 ( -2.462 -0.000 4.089) 4.773 13.328 ( 0.143 0.000 -3.392) 3.395 13.344 ( 0.433 0.000 3.436) 3.463 13.448 ( 1.013 0.000 -3.046) 3.211 13.742 ( -1.989 0.000 4.135) 4.589 13.762 ( -2.034 -0.000 -0.858) 2.207 13.955 ( 6.309 -0.000 1.765) 6.551 13.967 ( -4.600 0.000 4.429) 6.385 14.019 ( -3.409 -0.000 -1.083) 3.577 14.034 ( -2.011 0.000 3.070) 3.670 14.383 ( 9.631 0.000 -5.361) 11.023 14.468 ( 5.724 0.000 -5.707) 8.083 14.718 ( -3.217 0.000 1.257) 3.454 14.933 ( -1.451 0.000 1.721) 2.251 14.979 ( 0.585 0.000 -1.951) 2.037 15.015 ( 8.085 0.000 4.619) 9.312 15.111 ( -2.727 0.000 -2.948) 4.016 15.248 ( 2.992 0.000 -4.512) 5.414 15.318 ( -0.302 0.000 -0.732) 0.792 15.668 ( 0.556 0.000 -3.128) 3.177 15.769 ( -3.422 0.000 -1.204) 3.628 16.013 ( -3.624 0.000 7.033) 7.912 16.227 ( -1.526 0.000 0.882) 1.762 16.319 ( 1.722 0.000 -2.996) 3.455 16.401 ( -6.659 0.000 7.002) 9.662 16.406 ( -2.194 -0.000 -3.269) 3.937 16.631 ( -4.531 0.000 5.332) 6.997 16.719 ( 2.912 0.000 3.401) 4.477 16.838 ( 0.809 0.000 -0.073) 0.812 16.850 ( 0.679 0.000 0.758) 1.017 16.993 ( -0.831 0.000 -0.368) 0.909 17.141 ( 0.322 0.000 2.300) 2.322 17.203 ( -2.680 0.000 2.622) 3.749 17.378 ( -2.685 0.000 2.493) 3.664 17.454 ( -3.391 0.000 -2.460) 4.189 17.622 ( 5.678 0.000 -3.409) 6.623 17.737 ( -4.281 0.000 6.984) 8.192 17.969 ( -3.675 0.000 -15.386) 15.818 18.162 ( -0.165 -0.000 -3.385) 3.389 18.312 ( 0.276 0.000 -15.827) 15.829 19.092 ( 8.168 0.000 8.975) 12.135 19.358 ( 9.417 0.000 6.560) 11.476 19.481 ( 0.383 0.000 1.676) 1.719 19.491 ( 2.119 0.000 4.553) 5.022 21.806 ( -0.852 0.000 -0.287) 0.899 22.308 ( 0.450 -0.000 -0.321) 0.553 22.338 ( -0.058 0.000 -0.543) 0.546 22.779 ( -1.378 0.000 0.331) 1.417 23.688 ( -0.163 0.000 0.270) 0.315 23.810 ( 0.026 0.000 -0.179) 0.181 24.362 ( -0.535 0.000 1.786) 1.864 24.445 ( 1.311 0.000 -2.643) 2.950 24.672 ( 2.220 0.000 -0.423) 2.260 24.806 ( -0.393 0.000 3.598) 3.619 24.813 ( 0.165 -0.000 -0.307) 0.349 24.945 ( 1.692 0.000 -4.434) 4.745 25.028 ( -0.813 0.000 0.057) 0.815 25.508 ( -0.689 0.000 0.951) 1.174 25.544 ( -2.363 0.000 0.022) 2.363 26.001 ( -2.341 0.000 0.523) 2.399 ======================= Grid point 114 (63/65) ======================= q-point: ( 0.40 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.520 ( 8.270 0.000 -2.074) 8.526 3.639 ( 2.381 0.000 0.418) 2.417 3.729 ( -6.213 0.004 -1.052) 6.302 3.730 ( -7.697 -0.004 9.748) 12.421 3.798 ( -5.951 0.000 2.202) 6.345 3.849 ( -4.265 0.000 -0.633) 4.311 4.093 ( 7.092 0.000 -13.387) 15.150 4.267 ( 9.494 0.000 0.745) 9.523 4.436 ( -6.060 0.000 -12.026) 13.466 4.447 ( -9.806 -0.000 -3.492) 10.409 4.486 ( 1.753 0.000 -1.069) 2.053 4.574 ( 0.241 0.000 -0.349) 0.424 4.762 ( 0.124 0.000 -4.123) 4.125 4.780 ( -4.549 0.000 -9.690) 10.704 4.987 ( -0.309 0.000 -8.932) 8.938 5.316 ( -8.266 0.000 1.062) 8.334 5.415 ( -7.766 0.000 3.596) 8.558 5.528 ( -0.137 0.000 7.736) 7.737 5.697 ( 3.445 0.000 5.643) 6.611 5.906 ( -1.038 0.000 -0.361) 1.099 5.952 ( 2.131 0.000 2.745) 3.475 6.004 ( 1.767 0.000 -2.531) 3.087 6.073 ( 2.878 0.000 -5.417) 6.134 6.156 ( -4.355 -0.000 -11.617) 12.407 6.172 ( -2.700 0.000 -5.825) 6.420 6.551 ( -0.818 0.000 -2.954) 3.065 6.559 ( -1.388 -0.000 11.698) 11.780 6.779 ( -5.547 0.000 -1.046) 5.644 6.789 ( -0.787 0.000 -0.862) 1.167 6.883 ( 1.428 0.000 -2.286) 2.696 7.038 ( -4.761 0.000 9.664) 10.773 7.064 ( -0.765 0.000 -1.683) 1.849 7.137 ( 10.326 0.000 4.431) 11.237 7.192 ( 13.633 0.000 12.530) 18.517 7.411 ( 2.468 0.000 -0.086) 2.470 7.467 ( 4.963 0.000 10.079) 11.235 7.510 ( 16.045 0.000 7.060) 17.530 7.516 ( 10.524 -0.000 -1.098) 10.582 7.742 ( 7.102 0.000 3.605) 7.965 7.763 ( 3.126 0.000 1.563) 3.495 8.031 ( 4.300 0.000 7.937) 9.027 8.064 ( -5.187 -0.000 5.629) 7.654 8.204 ( -4.529 0.000 -8.589) 9.710 8.299 ( 0.495 0.000 -5.355) 5.378 8.307 ( 5.130 0.000 -10.142) 11.366 8.407 ( -1.120 0.000 9.913) 9.976 8.477 ( 12.854 0.000 8.420) 15.367 8.649 ( -0.076 -0.001 -0.906) 0.909 8.650 ( 7.100 0.001 1.120) 7.188 8.700 ( -8.257 -0.000 -2.546) 8.640 8.856 ( -4.729 0.000 15.729) 16.425 8.962 ( -9.877 0.000 5.366) 11.241 9.047 ( -3.681 0.000 11.857) 12.415 9.078 ( -16.215 -0.000 1.621) 16.295 9.265 ( -6.312 0.000 -4.834) 7.950 9.361 ( 8.134 0.000 -3.811) 8.982 9.371 ( -2.766 -0.000 -15.630) 15.873 9.566 ( 0.053 0.000 6.130) 6.130 9.627 ( -3.511 0.000 -6.771) 7.627 9.690 ( 0.426 0.000 2.394) 2.432 9.803 ( -2.429 -0.000 -14.072) 14.280 9.829 ( 1.959 0.000 -3.088) 3.657 9.878 ( -6.568 0.000 -1.824) 6.817 9.965 ( -4.018 0.000 -2.928) 4.972 10.165 ( -3.862 0.000 -0.155) 3.865 10.215 ( 2.197 -0.000 -0.793) 2.336 10.249 ( -2.940 0.000 -3.927) 4.905 10.289 ( -0.885 0.000 -2.018) 2.204 10.321 ( 3.196 -0.000 5.490) 6.353 10.419 ( -3.996 0.000 -8.253) 9.169 10.481 ( -1.790 -0.000 -0.599) 1.887 10.525 ( 0.508 0.000 -5.613) 5.636 10.763 ( -4.365 0.000 -6.619) 7.928 10.892 ( -0.405 0.000 -4.534) 4.552 10.957 ( 5.481 -0.000 -2.369) 5.971 11.019 ( 4.305 0.000 -0.460) 4.330 11.059 ( 0.502 0.000 -1.110) 1.218 11.089 ( -4.886 0.000 -4.475) 6.625 11.132 ( -1.564 -0.000 -5.381) 5.604 11.343 ( -1.329 0.000 4.772) 4.954 11.364 ( -1.346 -0.000 2.168) 2.552 11.504 ( 3.482 0.000 3.278) 4.782 11.566 ( 3.721 0.000 3.118) 4.854 11.618 ( -0.559 0.000 3.685) 3.727 11.721 ( 2.246 0.000 5.143) 5.612 11.840 ( 1.053 0.000 2.524) 2.735 11.873 ( 4.119 0.000 -0.490) 4.148 11.955 ( 4.149 0.000 1.104) 4.294 11.992 ( -2.010 0.000 -1.440) 2.473 12.007 ( -6.571 -0.000 -1.417) 6.722 12.018 ( 6.900 0.000 1.476) 7.056 12.101 ( 0.489 0.000 3.505) 3.539 12.179 ( -2.436 -0.000 -2.241) 3.310 12.284 ( -2.460 0.000 -1.611) 2.941 12.317 ( -1.158 -0.000 9.838) 9.906 12.371 ( 3.732 0.000 0.020) 3.732 12.454 ( 2.367 0.000 2.138) 3.190 12.597 ( -4.373 0.000 3.767) 5.772 12.695 ( -0.015 0.000 -10.324) 10.324 12.748 ( -3.838 0.000 0.642) 3.891 12.804 ( -1.589 -0.000 0.040) 1.590 12.841 ( 3.022 0.000 -5.814) 6.553 12.972 ( -3.780 0.000 0.743) 3.852 13.039 ( 2.112 0.000 -0.213) 2.122 13.076 ( 2.095 -0.000 -1.676) 2.683 13.130 ( 1.176 0.000 3.379) 3.578 13.277 ( -0.574 0.000 -2.171) 2.246 13.442 ( 0.764 0.000 -3.112) 3.204 13.451 ( 4.880 0.000 2.239) 5.369 13.686 ( -2.994 0.000 -0.039) 2.994 13.763 ( 0.667 0.000 4.053) 4.107 13.939 ( -2.759 0.000 -0.991) 2.931 13.962 ( 0.076 0.000 3.544) 3.545 14.029 ( -0.570 0.000 3.908) 3.950 14.129 ( 7.378 0.000 5.269) 9.066 14.517 ( -10.757 0.000 -5.376) 12.026 14.560 ( 9.282 0.000 -2.000) 9.495 14.585 ( 4.869 -0.000 -1.577) 5.118 14.780 ( -9.439 0.000 -4.556) 10.481 14.992 ( 0.874 0.000 0.083) 0.878 15.016 ( -2.702 0.000 -0.738) 2.801 15.288 ( 11.778 0.000 2.953) 12.142 15.313 ( 0.727 0.000 -1.146) 1.357 15.398 ( 9.381 0.000 -0.050) 9.381 15.624 ( -0.485 0.000 -3.314) 3.350 15.654 ( -6.113 0.000 -3.897) 7.249 15.880 ( -10.819 0.000 1.850) 10.976 16.248 ( 0.787 -0.000 1.861) 2.020 16.261 ( -7.576 0.000 3.650) 8.409 16.396 ( 5.018 0.000 0.583) 5.051 16.435 ( 4.546 0.000 0.811) 4.618 16.603 ( -2.193 0.000 3.624) 4.236 16.771 ( 0.893 0.000 2.206) 2.380 16.870 ( -0.531 0.000 3.254) 3.297 16.870 ( 1.810 -0.000 1.495) 2.347 16.940 ( -4.954 0.000 4.964) 7.013 17.151 ( -0.521 0.000 1.581) 1.665 17.172 ( -2.964 0.000 5.331) 6.100 17.351 ( -2.474 0.000 -5.917) 6.413 17.415 ( 2.647 0.000 4.072) 4.857 17.637 ( -3.119 0.000 -8.459) 9.016 17.727 ( -2.704 -0.000 8.482) 8.903 17.768 ( 0.824 0.000 -15.017) 15.040 18.126 ( 2.638 0.000 -18.324) 18.513 18.178 ( -2.436 0.000 -2.528) 3.511 19.355 ( 9.002 0.000 7.241) 11.553 19.452 ( 0.775 0.000 -0.293) 0.828 19.488 ( -2.440 0.000 3.289) 4.095 19.720 ( 7.417 0.000 10.902) 13.186 21.793 ( -0.135 0.000 -0.058) 0.147 22.300 ( -0.592 -0.000 -1.062) 1.216 22.334 ( 0.122 0.000 -0.502) 0.517 22.743 ( -1.696 0.000 -0.319) 1.726 23.686 ( -0.113 0.000 0.164) 0.199 23.810 ( 0.055 0.000 -0.043) 0.070 24.364 ( -0.572 0.000 1.526) 1.629 24.451 ( 1.141 0.000 -2.419) 2.674 24.717 ( 1.806 0.000 -0.261) 1.825 24.813 ( 0.097 -0.000 -0.519) 0.528 24.824 ( -1.085 0.000 4.258) 4.394 24.951 ( 2.416 0.000 -5.015) 5.567 25.006 ( -1.017 0.000 -0.143) 1.027 25.496 ( -1.002 -0.000 0.862) 1.322 25.503 ( -1.238 0.000 0.322) 1.279 25.964 ( -1.312 0.000 0.689) 1.481 ======================= Grid point 116 (64/65) ======================= q-point: (-0.40 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.448 ( -10.958 0.000 4.122) 11.708 3.565 ( -8.478 0.000 5.731) 10.233 3.678 ( -8.548 0.000 14.812) 17.101 3.699 ( 1.215 -0.000 2.960) 3.200 3.904 ( 9.321 0.000 -3.988) 10.139 3.908 ( 14.314 -0.000 -5.225) 15.238 4.078 ( 6.671 0.000 -19.704) 20.803 4.239 ( 0.288 -0.000 -9.390) 9.395 4.438 ( 4.087 0.000 5.695) 7.009 4.462 ( 3.309 0.000 -1.854) 3.793 4.521 ( -0.243 0.000 -2.009) 2.024 4.566 ( 2.566 0.000 -4.098) 4.835 4.649 ( 1.105 0.000 -1.059) 1.531 4.744 ( 0.016 0.000 -0.557) 0.557 4.947 ( 2.388 0.000 -6.195) 6.640 5.299 ( 6.207 0.000 2.209) 6.588 5.425 ( 7.593 0.000 1.552) 7.750 5.553 ( -3.336 0.000 6.709) 7.493 5.740 ( -4.510 0.000 2.224) 5.029 5.896 ( -0.675 0.000 8.450) 8.476 5.949 ( -4.813 0.000 3.022) 5.683 5.990 ( -2.783 0.000 -9.220) 9.631 6.033 ( -2.039 0.000 -1.508) 2.536 6.036 ( 1.935 -0.000 -0.898) 2.133 6.152 ( 2.650 0.000 -5.090) 5.738 6.537 ( 1.882 0.000 -1.740) 2.563 6.644 ( -2.468 0.000 7.050) 7.469 6.716 ( 4.692 0.000 1.818) 5.032 6.784 ( 1.014 0.000 -2.986) 3.154 6.866 ( -0.534 0.000 0.672) 0.858 7.029 ( -0.835 0.000 0.557) 1.003 7.036 ( -3.484 -0.000 10.422) 10.989 7.208 ( -7.487 0.000 -1.719) 7.682 7.390 ( -9.075 0.000 1.188) 9.153 7.444 ( 1.923 0.000 -3.104) 3.652 7.492 ( -1.985 0.000 1.569) 2.530 7.532 ( -3.927 0.000 -8.619) 9.471 7.785 ( -3.596 0.000 -1.277) 3.816 7.820 ( 1.917 0.000 -1.849) 2.664 7.851 ( -2.962 0.000 -15.265) 15.549 7.985 ( -7.180 0.000 8.884) 11.423 7.995 ( 5.097 0.000 6.046) 7.908 8.177 ( 1.946 0.000 6.334) 6.626 8.230 ( -4.184 0.000 -6.769) 7.958 8.287 ( 0.593 0.000 -5.871) 5.901 8.406 ( -3.343 -0.000 5.090) 6.090 8.538 ( -11.167 0.000 8.381) 13.962 8.644 ( 1.617 0.000 7.567) 7.738 8.671 ( -14.182 0.000 -1.595) 14.271 8.686 ( 3.916 -0.000 -1.646) 4.248 8.840 ( 15.226 0.000 9.914) 18.169 8.954 ( -3.862 0.000 15.139) 15.624 9.069 ( 1.458 0.000 5.624) 5.810 9.115 ( 15.283 0.000 -6.012) 16.423 9.227 ( 1.585 0.000 3.646) 3.975 9.309 ( 0.586 0.000 -7.193) 7.217 9.408 ( -4.104 0.000 -8.612) 9.540 9.515 ( 1.434 0.000 -1.837) 2.330 9.522 ( -4.570 -0.000 5.352) 7.038 9.732 ( 6.204 0.000 -7.623) 9.828 9.787 ( 4.342 0.000 -1.836) 4.714 9.828 ( -1.657 -0.000 -5.853) 6.083 9.836 ( 1.943 0.000 1.102) 2.234 9.905 ( 2.165 0.000 2.378) 3.216 10.128 ( -3.097 0.000 3.740) 4.856 10.190 ( 3.027 0.000 7.227) 7.835 10.252 ( 2.194 0.000 -5.953) 6.345 10.260 ( 2.267 0.000 -0.178) 2.274 10.318 ( 4.051 0.000 -5.040) 6.466 10.407 ( -1.016 0.000 -1.938) 2.188 10.494 ( 2.081 0.000 -0.660) 2.183 10.501 ( -0.116 0.000 -2.036) 2.039 10.705 ( 1.297 0.000 -2.319) 2.658 10.886 ( -0.554 0.000 0.832) 1.000 10.934 ( -1.437 0.000 -4.104) 4.348 11.015 ( -1.472 0.000 -1.807) 2.330 11.059 ( 1.419 0.000 -2.672) 3.025 11.097 ( 6.519 0.000 -5.465) 8.506 11.121 ( 0.102 0.000 -1.250) 1.254 11.345 ( -1.802 0.000 4.438) 4.790 11.352 ( 0.391 -0.000 1.200) 1.262 11.568 ( 0.410 0.000 -0.953) 1.037 11.639 ( -0.588 0.000 -1.387) 1.507 11.645 ( 1.792 -0.000 1.050) 2.077 11.746 ( -3.246 -0.000 5.072) 6.022 11.773 ( -7.569 0.000 6.624) 10.058 11.883 ( -2.157 0.000 -6.630) 6.972 11.930 ( 0.693 0.000 2.855) 2.938 11.947 ( -2.253 -0.000 4.971) 5.458 12.022 ( 1.590 0.000 -2.756) 3.182 12.080 ( 0.754 0.000 -3.115) 3.205 12.129 ( -0.670 -0.000 1.489) 1.633 12.184 ( 3.084 0.000 -3.265) 4.491 12.271 ( 3.118 0.000 -0.819) 3.224 12.335 ( -2.964 0.000 5.994) 6.686 12.452 ( 2.286 0.000 3.896) 4.517 12.483 ( -3.923 0.000 1.071) 4.066 12.573 ( 2.297 0.000 3.346) 4.058 12.617 ( 0.989 0.000 -12.231) 12.271 12.688 ( -4.304 0.000 5.164) 6.723 12.819 ( 3.810 0.000 -0.463) 3.838 12.846 ( 0.982 -0.000 -3.076) 3.228 12.931 ( -1.575 0.000 4.456) 4.726 13.044 ( -3.978 0.000 0.607) 4.024 13.069 ( 2.050 0.000 -2.294) 3.077 13.166 ( 0.828 -0.000 -0.282) 0.875 13.268 ( 0.829 0.000 -2.728) 2.851 13.429 ( -0.011 0.000 -2.050) 2.050 13.480 ( -2.869 0.000 -0.280) 2.883 13.673 ( 0.868 0.000 1.469) 1.706 13.806 ( 0.459 0.000 1.344) 1.420 13.912 ( 1.355 0.000 0.225) 1.374 13.999 ( 1.962 0.000 0.051) 1.963 14.088 ( 3.356 0.000 0.151) 3.359 14.161 ( -16.052 0.000 4.305) 16.619 14.345 ( 3.717 0.000 5.824) 6.910 14.552 ( -9.204 0.000 -2.117) 9.444 14.673 ( 5.063 0.000 -7.207) 8.808 14.719 ( 7.212 0.000 0.544) 7.233 14.989 ( -0.451 0.000 0.744) 0.870 15.000 ( 0.744 0.000 0.353) 0.824 15.332 ( 2.043 0.000 -2.421) 3.168 15.394 ( -7.537 0.000 -6.945) 10.249 15.443 ( -6.292 0.000 -4.384) 7.669 15.569 ( 5.908 -0.000 3.850) 7.052 15.569 ( -2.795 0.000 2.240) 3.582 15.870 ( 10.257 0.000 2.224) 10.496 16.215 ( -0.745 0.000 6.041) 6.087 16.265 ( 0.193 0.000 0.402) 0.446 16.463 ( -2.746 0.000 -1.188) 2.992 16.467 ( 2.419 0.000 -4.119) 4.777 16.639 ( 4.921 0.000 -0.072) 4.922 16.815 ( 2.306 0.000 -2.799) 3.627 16.867 ( -3.144 -0.000 4.669) 5.629 16.872 ( -4.001 0.000 3.984) 5.647 16.940 ( -0.086 0.000 6.301) 6.302 17.144 ( -1.708 0.000 2.251) 2.826 17.205 ( 2.064 0.000 7.696) 7.968 17.288 ( 1.281 0.000 -5.619) 5.763 17.441 ( -5.084 0.000 -6.377) 8.156 17.513 ( 2.382 0.000 4.133) 4.771 17.752 ( -1.947 0.000 9.850) 10.040 17.760 ( 5.678 0.000 -10.443) 11.886 18.019 ( 1.604 0.000 -13.274) 13.370 18.180 ( 2.143 0.000 -1.623) 2.688 19.403 ( -7.008 0.000 0.651) 7.038 19.445 ( -1.552 0.000 0.479) 1.624 19.521 ( 2.707 0.000 2.303) 3.553 19.814 ( -3.938 0.000 2.183) 4.502 21.797 ( 0.619 0.000 -0.428) 0.753 22.280 ( -0.910 0.000 0.632) 1.108 22.335 ( 0.432 0.000 -0.652) 0.782 22.725 ( -0.147 0.000 1.223) 1.232 23.686 ( -0.021 0.000 0.124) 0.126 23.812 ( 0.106 0.000 -0.083) 0.134 24.362 ( -0.742 0.000 1.609) 1.772 24.451 ( 0.772 0.000 -2.440) 2.560 24.721 ( -1.075 0.000 -0.705) 1.286 24.811 ( 0.091 0.000 -0.333) 0.345 24.823 ( -2.202 -0.000 4.111) 4.663 24.960 ( 2.315 0.000 -5.552) 6.015 24.995 ( -0.135 0.000 0.796) 0.807 25.486 ( -0.811 0.000 1.761) 1.939 25.512 ( 2.076 0.000 -0.464) 2.127 25.970 ( 1.593 0.000 0.101) 1.596 ======================= Grid point 118 (65/65) ======================= q-point: (-0.20 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.260 ( -9.160 0.000 2.322) 9.449 3.477 ( -4.507 -0.000 6.665) 8.046 3.599 ( -7.508 0.000 12.651) 14.711 3.772 ( 1.313 0.000 5.659) 5.810 4.057 ( 7.003 0.000 -4.505) 8.327 4.101 ( 9.981 0.000 -8.988) 13.432 4.188 ( 0.982 0.000 -5.488) 5.575 4.254 ( 15.882 0.000 -5.408) 16.777 4.428 ( -1.716 0.000 -6.681) 6.898 4.546 ( 3.266 0.000 2.698) 4.236 4.606 ( 11.572 0.000 1.521) 11.671 4.645 ( 4.278 0.000 -2.636) 5.025 4.768 ( 5.171 0.000 1.074) 5.282 4.803 ( 7.858 0.000 7.735) 11.026 4.978 ( 3.585 0.000 -2.512) 4.378 5.484 ( -6.675 0.000 0.678) 6.709 5.547 ( 12.786 0.000 3.177) 13.175 5.600 ( -8.281 0.000 0.044) 8.281 5.635 ( 7.662 -0.000 1.089) 7.739 5.830 ( -4.777 0.000 -2.791) 5.533 5.890 ( -3.337 0.000 7.325) 8.049 5.949 ( -2.917 0.000 4.285) 5.184 5.961 ( -0.202 0.000 -5.759) 5.763 6.157 ( 7.069 0.000 5.637) 9.042 6.214 ( 4.402 0.000 1.729) 4.729 6.516 ( -5.989 0.000 3.188) 6.784 6.639 ( -0.034 0.000 4.593) 4.593 6.764 ( -1.076 0.000 2.100) 2.359 6.847 ( -12.597 0.000 -4.600) 13.411 6.872 ( 1.316 0.000 -1.381) 1.908 6.947 ( 3.576 0.000 0.279) 3.587 7.003 ( -15.746 0.000 -7.803) 17.573 7.037 ( 2.784 0.000 2.702) 3.879 7.132 ( 1.603 -0.000 4.959) 5.212 7.284 ( -9.253 0.000 -4.065) 10.106 7.342 ( -8.921 0.000 -11.260) 14.366 7.409 ( -7.350 0.000 -3.522) 8.150 7.551 ( -6.164 0.000 -20.271) 21.187 7.695 ( -0.610 0.000 -2.440) 2.515 7.772 ( -0.341 0.000 -7.816) 7.824 7.946 ( -7.964 0.000 14.060) 16.159 8.016 ( -5.007 0.000 -3.418) 6.063 8.108 ( -5.439 0.000 7.813) 9.519 8.216 ( -8.937 0.000 -5.120) 10.300 8.294 ( 3.140 0.000 2.687) 4.133 8.347 ( -5.180 -0.000 -9.910) 11.182 8.406 ( -1.997 -0.000 -0.472) 2.052 8.420 ( -4.812 0.000 -1.641) 5.084 8.679 ( -0.108 0.000 1.929) 1.932 8.770 ( 3.843 0.000 -1.774) 4.233 8.930 ( -5.801 0.000 10.038) 11.594 9.178 ( 0.535 -0.000 -6.396) 6.419 9.185 ( -0.046 0.000 5.276) 5.276 9.279 ( 7.283 0.000 9.414) 11.903 9.325 ( 12.082 -0.000 10.377) 15.927 9.417 ( 10.960 0.000 10.558) 15.218 9.435 ( 7.866 0.000 -5.558) 9.631 9.497 ( -3.260 0.000 5.256) 6.185 9.642 ( 5.431 0.000 2.815) 6.117 9.707 ( -2.959 0.000 -0.086) 2.960 9.776 ( -0.513 0.000 -3.936) 3.970 9.815 ( 6.449 0.000 0.942) 6.518 9.981 ( 8.236 0.000 7.165) 10.917 10.074 ( 10.243 0.000 1.119) 10.304 10.134 ( -2.483 0.000 -0.900) 2.641 10.197 ( -6.425 -0.000 -10.050) 11.928 10.248 ( -2.976 -0.000 -0.188) 2.982 10.332 ( 0.786 0.000 13.055) 13.079 10.401 ( 8.704 0.000 -6.658) 10.959 10.439 ( 8.567 0.000 -2.537) 8.935 10.477 ( 0.624 0.000 -6.313) 6.343 10.550 ( 2.635 0.000 0.507) 2.684 10.779 ( 5.045 0.000 4.461) 6.734 10.832 ( -2.521 0.000 -0.629) 2.598 10.966 ( 5.521 0.000 -4.863) 7.357 10.992 ( 1.214 -0.000 -1.291) 1.772 11.090 ( 3.413 0.000 -2.370) 4.156 11.124 ( 1.786 0.000 2.234) 2.860 11.180 ( 3.825 0.000 -1.179) 4.003 11.342 ( -2.005 0.000 3.911) 4.395 11.348 ( -4.722 -0.000 3.161) 5.683 11.503 ( -4.942 -0.000 -2.818) 5.689 11.531 ( -2.162 0.000 -6.247) 6.610 11.636 ( -5.004 0.000 0.041) 5.004 11.712 ( -1.441 -0.000 -5.159) 5.356 11.718 ( -3.345 0.000 6.199) 7.043 11.754 ( -5.461 0.000 -1.585) 5.686 11.891 ( -4.371 0.000 0.900) 4.463 11.929 ( -1.322 0.000 -2.222) 2.585 12.059 ( 0.724 0.000 -1.899) 2.032 12.074 ( 1.847 -0.000 -2.181) 2.858 12.189 ( 4.606 0.000 11.948) 12.805 12.234 ( 1.479 0.000 1.197) 1.903 12.312 ( -1.055 0.000 0.424) 1.137 12.324 ( -1.705 -0.000 -2.993) 3.445 12.403 ( 1.629 -0.000 -0.012) 1.629 12.404 ( -4.288 0.000 -7.434) 8.582 12.645 ( -4.502 0.000 6.099) 7.581 12.660 ( 6.022 -0.000 0.400) 6.036 12.670 ( 2.827 0.000 4.096) 4.977 12.814 ( -4.430 0.000 1.332) 4.626 12.892 ( 3.034 0.000 -1.707) 3.481 12.950 ( -1.559 0.000 -6.060) 6.257 12.967 ( 0.730 -0.000 3.982) 4.048 13.094 ( 1.449 0.000 -2.703) 3.067 13.158 ( -1.043 -0.000 -1.025) 1.463 13.263 ( 0.332 0.000 0.100) 0.347 13.387 ( -3.974 0.000 -0.864) 4.067 13.419 ( 0.667 0.000 -0.914) 1.132 13.734 ( 2.898 0.000 1.757) 3.389 13.809 ( 0.881 0.000 -1.585) 1.814 13.900 ( -11.580 0.000 6.039) 13.060 13.987 ( 3.982 0.000 1.893) 4.409 14.044 ( 2.726 0.000 -1.606) 3.164 14.109 ( 0.160 0.000 -2.592) 2.597 14.351 ( -7.430 0.000 -3.645) 8.276 14.428 ( 0.876 0.000 1.232) 1.512 14.701 ( 1.656 0.000 -1.268) 2.086 14.919 ( 8.452 0.000 3.642) 9.203 14.967 ( -2.543 0.000 0.414) 2.577 15.020 ( -3.578 0.000 2.078) 4.138 15.174 ( -1.637 0.000 -6.669) 6.867 15.196 ( -10.029 0.000 -0.800) 10.061 15.352 ( 1.334 0.000 -3.429) 3.679 15.611 ( 1.986 0.000 2.027) 2.837 15.738 ( 6.374 0.000 1.661) 6.587 16.111 ( 8.130 0.000 -0.203) 8.132 16.251 ( -1.179 -0.000 -1.866) 2.207 16.252 ( 0.094 0.000 3.426) 3.428 16.373 ( -1.542 0.000 -0.793) 1.734 16.501 ( 3.224 0.000 -3.242) 4.572 16.704 ( -0.873 0.000 1.872) 2.066 16.774 ( -4.860 0.000 -1.152) 4.994 16.832 ( -0.893 -0.000 1.144) 1.451 16.834 ( -1.153 0.000 1.556) 1.937 16.962 ( -0.256 0.000 1.086) 1.116 17.122 ( -2.151 0.000 2.980) 3.675 17.244 ( -0.113 0.000 -0.796) 0.804 17.391 ( 2.696 0.000 0.240) 2.706 17.400 ( 7.117 0.000 2.129) 7.429 17.546 ( -3.096 0.000 4.062) 5.108 17.788 ( -1.984 0.000 7.796) 8.045 17.859 ( 10.337 0.000 -5.332) 11.631 18.034 ( 6.925 0.000 -3.020) 7.555 18.222 ( 3.180 0.000 -1.620) 3.569 19.211 ( -10.542 0.000 -2.343) 10.800 19.386 ( -5.534 0.000 0.949) 5.615 19.523 ( -1.691 -0.000 -1.668) 2.376 19.636 ( -9.234 0.000 -5.642) 10.821 21.810 ( 0.984 0.000 -0.648) 1.178 22.278 ( -0.445 0.000 2.251) 2.295 22.339 ( 0.476 0.000 -0.732) 0.873 22.752 ( 0.903 0.000 2.663) 2.812 23.687 ( -0.012 0.000 0.204) 0.204 23.813 ( 0.097 0.000 -0.246) 0.265 24.360 ( -0.836 0.000 1.909) 2.084 24.446 ( 0.706 0.000 -2.677) 2.768 24.678 ( -1.846 0.000 -1.030) 2.114 24.805 ( -2.208 0.000 3.432) 4.080 24.811 ( 0.091 -0.000 -0.112) 0.145 24.958 ( 1.696 0.000 -5.322) 5.586 25.011 ( 0.556 0.000 1.529) 1.627 25.492 ( -0.241 0.000 2.346) 2.359 25.559 ( 2.531 0.000 -1.233) 2.815 26.013 ( 2.090 0.000 -0.428) 2.133 =================== 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 3/33000 10.0 2398.222 2905.126 4295.102 0.000 164.901 0.000 3/33000 20.0 2074.263 2459.710 2874.011 0.000 -456.349 0.000 3/33000 30.0 915.468 1143.292 1172.816 0.000 -173.161 0.000 3/33000 40.0 426.807 540.895 539.563 0.000 -67.575 0.000 3/33000 50.0 225.928 285.293 284.728 0.000 -32.167 0.000 3/33000 60.0 133.890 167.577 168.207 0.000 -17.836 0.000 3/33000 70.0 86.870 107.764 108.738 0.000 -11.073 0.000 3/33000 80.0 60.575 74.572 75.546 0.000 -7.481 0.000 3/33000 90.0 44.732 54.717 55.600 0.000 -5.391 0.000 3/33000 100.0 34.579 42.071 42.853 0.000 -4.085 0.000 3/33000 110.0 27.730 33.584 34.278 0.000 -3.220 0.000 3/33000 120.0 22.905 27.632 28.253 0.000 -2.620 0.000 3/33000 130.0 19.381 23.301 23.863 0.000 -2.188 0.000 3/33000 140.0 16.726 20.049 20.563 0.000 -1.867 0.000 3/33000 150.0 14.672 17.542 18.015 0.000 -1.621 0.000 3/33000 160.0 13.047 15.564 16.003 0.000 -1.429 0.000 3/33000 170.0 11.735 13.972 14.381 0.000 -1.275 0.000 3/33000 180.0 10.658 12.667 13.052 0.000 -1.149 0.000 3/33000 190.0 9.761 11.583 11.945 0.000 -1.046 0.000 3/33000 200.0 9.002 10.669 11.011 0.000 -0.959 0.000 3/33000 210.0 8.354 9.890 10.214 0.000 -0.886 0.000 3/33000 220.0 7.795 9.218 9.526 0.000 -0.823 0.000 3/33000 230.0 7.307 8.633 8.927 0.000 -0.768 0.000 3/33000 240.0 6.878 8.120 8.401 0.000 -0.720 0.000 3/33000 250.0 6.499 7.667 7.935 0.000 -0.678 0.000 3/33000 260.0 6.160 7.263 7.520 0.000 -0.641 0.000 3/33000 270.0 5.856 6.901 7.148 0.000 -0.608 0.000 3/33000 280.0 5.582 6.575 6.813 0.000 -0.578 0.000 3/33000 290.0 5.334 6.280 6.509 0.000 -0.551 0.000 3/33000 300.0 5.107 6.011 6.232 0.000 -0.527 0.000 3/33000 310.0 4.900 5.765 5.978 0.000 -0.504 0.000 3/33000 320.0 4.710 5.540 5.746 0.000 -0.484 0.000 3/33000 330.0 4.535 5.332 5.531 0.000 -0.465 0.000 3/33000 340.0 4.373 5.140 5.333 0.000 -0.448 0.000 3/33000 350.0 4.222 4.962 5.150 0.000 -0.432 0.000 3/33000 360.0 4.082 4.797 4.979 0.000 -0.417 0.000 3/33000 370.0 3.952 4.643 4.819 0.000 -0.403 0.000 3/33000 380.0 3.830 4.498 4.670 0.000 -0.390 0.000 3/33000 390.0 3.715 4.363 4.530 0.000 -0.378 0.000 3/33000 400.0 3.608 4.237 4.399 0.000 -0.367 0.000 3/33000 410.0 3.506 4.117 4.276 0.000 -0.357 0.000 3/33000 420.0 3.411 4.005 4.159 0.000 -0.347 0.000 3/33000 430.0 3.321 3.899 4.049 0.000 -0.337 0.000 3/33000 440.0 3.235 3.798 3.945 0.000 -0.328 0.000 3/33000 450.0 3.155 3.703 3.846 0.000 -0.320 0.000 3/33000 460.0 3.078 3.612 3.753 0.000 -0.312 0.000 3/33000 470.0 3.005 3.526 3.664 0.000 -0.304 0.000 3/33000 480.0 2.935 3.445 3.579 0.000 -0.297 0.000 3/33000 490.0 2.869 3.367 3.498 0.000 -0.290 0.000 3/33000 500.0 2.806 3.292 3.421 0.000 -0.284 0.000 3/33000 510.0 2.745 3.221 3.347 0.000 -0.278 0.000 3/33000 520.0 2.688 3.154 3.277 0.000 -0.272 0.000 3/33000 530.0 2.632 3.089 3.210 0.000 -0.266 0.000 3/33000 540.0 2.579 3.026 3.145 0.000 -0.260 0.000 3/33000 550.0 2.529 2.967 3.083 0.000 -0.255 0.000 3/33000 560.0 2.480 2.909 3.023 0.000 -0.250 0.000 3/33000 570.0 2.433 2.854 2.966 0.000 -0.245 0.000 3/33000 580.0 2.388 2.801 2.911 0.000 -0.241 0.000 3/33000 590.0 2.344 2.750 2.858 0.000 -0.236 0.000 3/33000 600.0 2.303 2.701 2.807 0.000 -0.232 0.000 3/33000 610.0 2.262 2.654 2.758 0.000 -0.228 0.000 3/33000 620.0 2.223 2.608 2.711 0.000 -0.224 0.000 3/33000 630.0 2.186 2.564 2.665 0.000 -0.220 0.000 3/33000 640.0 2.150 2.521 2.621 0.000 -0.216 0.000 3/33000 650.0 2.115 2.480 2.578 0.000 -0.213 0.000 3/33000 660.0 2.081 2.440 2.537 0.000 -0.209 0.000 3/33000 670.0 2.048 2.402 2.497 0.000 -0.206 0.000 3/33000 680.0 2.016 2.365 2.458 0.000 -0.203 0.000 3/33000 690.0 1.985 2.328 2.421 0.000 -0.200 0.000 3/33000 700.0 1.956 2.293 2.384 0.000 -0.197 0.000 3/33000 710.0 1.927 2.259 2.349 0.000 -0.194 0.000 3/33000 720.0 1.899 2.227 2.315 0.000 -0.191 0.000 3/33000 730.0 1.871 2.195 2.282 0.000 -0.188 0.000 3/33000 740.0 1.845 2.164 2.249 0.000 -0.185 0.000 3/33000 750.0 1.819 2.133 2.218 0.000 -0.183 0.000 3/33000 760.0 1.794 2.104 2.188 0.000 -0.180 0.000 3/33000 770.0 1.770 2.076 2.158 0.000 -0.178 0.000 3/33000 780.0 1.746 2.048 2.129 0.000 -0.175 0.000 3/33000 790.0 1.723 2.021 2.101 0.000 -0.173 0.000 3/33000 800.0 1.701 1.995 2.074 0.000 -0.171 0.000 3/33000 810.0 1.679 1.969 2.047 0.000 -0.169 0.000 3/33000 820.0 1.658 1.944 2.021 0.000 -0.166 0.000 3/33000 830.0 1.637 1.920 1.996 0.000 -0.164 0.000 3/33000 840.0 1.617 1.896 1.972 0.000 -0.162 0.000 3/33000 850.0 1.597 1.873 1.948 0.000 -0.160 0.000 3/33000 860.0 1.578 1.851 1.924 0.000 -0.158 0.000 3/33000 870.0 1.559 1.829 1.901 0.000 -0.156 0.000 3/33000 880.0 1.541 1.807 1.879 0.000 -0.155 0.000 3/33000 890.0 1.523 1.786 1.857 0.000 -0.153 0.000 3/33000 900.0 1.506 1.766 1.836 0.000 -0.151 0.000 3/33000 910.0 1.489 1.746 1.815 0.000 -0.149 0.000 3/33000 920.0 1.472 1.726 1.795 0.000 -0.148 0.000 3/33000 930.0 1.456 1.707 1.775 0.000 -0.146 0.000 3/33000 940.0 1.440 1.688 1.756 0.000 -0.144 0.000 3/33000 950.0 1.424 1.670 1.737 0.000 -0.143 0.000 3/33000 960.0 1.409 1.652 1.718 0.000 -0.141 0.000 3/33000 970.0 1.394 1.635 1.700 0.000 -0.140 0.000 3/33000 980.0 1.380 1.618 1.682 0.000 -0.138 0.000 3/33000 990.0 1.365 1.601 1.665 0.000 -0.137 0.000 3/33000 1000.0 1.351 1.585 1.648 0.000 -0.135 0.000 3/33000 Thermal conductivity related properties were written into "kappa-m585.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 00:44:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|