Re: [Phonopy-users] Dynamical matrix
Brought to you by:
atztogo
|
From: rezwan r. <djr...@ya...> - 2010-08-18 22:17:05
|
Hi
Firstly, sorry about not clarifying the problem. I'm interested in printing
(instead of plotting) the dynamical matrix in order to analyze it. I am working
on phonon dispersion of Fe. I would like to see the dynamical matrix after the
force constant is calculated. I tried to call the functions
dynamic_matrix_log()
and dynamic_matrix in the phonopy script. But I'm having error. So, it will be
really great if there is any way (either command or python script) to call the
functions to print dynamical matrix because the band structure is showing some
spurious bands which are not supposed to be there.
Thanks once again
Rezwan
|