Pair distribution functions

GULP
1

Hi julian,
I apologize for the inconvenience. Recently, I have been studying pair distribution functions, and when using the shrink command, we must check whether the phonon properties (such as peak width) converge with the number of k-points. So, how can we determine if the peak width converges?
Thank you for your assistance.

Sincerely,
LiMa

2

Hi LiMa,
The meaning of convergence is routine science, rather than anything to do with GULP. What did your supervisor say, as they really ought to be able to answer that one?
Regards
Julian