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by chandley
Thu Jul 16, 2015 8:12 am
Forum: Bader
Topic: Bader and CAstep
Replies: 17
Views: 49231

Re: Bader and CAstep

Hi,

I am trying to perform an analysis, using CASTEP, and of course I am running into the issue of not getting the right amount of electrons in my system. This is clearly because I am not getting the core charge density as part of the density output from CASTEP. What option in CASTEP am I missing ...