On 7/10/23 14:23, Xichen Hu wrote:
I am trying to use self-interaction correction feature in cp.x package to do a relaxation task, but it seems like there are some functions which haven’t been implemented yet.
The SIC functionality was implemented many years ago, but nobody maintained them, so it has been disabled. You may try to comment out the check and see what happens, but it is unlikely to work. It may still work in some old versions of QE (how old? no idea, very old presumably)
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