My Community

Hello, evryone

I want to calculate carbon nanotube adsorbing charged ions.
Can VASP do this effectively? How to express the charged ions? only set the tag NELECT in INCAR files?

I am a new user, please give me some instruction!

thank you im advance!

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