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Need help with superposition of a Fe-atom

Posted: Sun Jun 10, 2012 11:15 pm
by drikth
Hi

I am really new to VASP and I need help with a few basic things. From a CHGCAR-file I have retrieved a 112x96x96 matrix containing the charge density for a special simulation of 504 Fe-atoms. I also have a file containing the charge density from one Fe-atom depending on radial position from the Fe-atom. I need to know the difference between the 112x96x96 simulation and a superposition of "ordinary" Fe-atoms.
Is there someone out there who knows this?
I am doing this in MATLAB, so if anyone have any code that can solve this I would be very grateful.

//Daniel

Re: Need help with superposition of a Fe-atom

Posted: Thu Sep 12, 2024 7:56 am
by support_vasp

Hi,

We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.

Best wishes,

VASP