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Dear users;

I have been trying to understand if is it possible to constrain the distance between certain atoms during structural optimization in vasp 5.2. Or is it possible to use ICONST file with IBRION 3 option to be able to keep the distance fixed ? I am really confused how can I achieve constrained optimization?
I am looking forward to hearing your advices.

best regards;

ipek

Hi,

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VASP