On Thu, Apr 7, 2022 at 3:21 PM Bidault, Xavier wrote:
Just my 2 cents.
>
I appreciate your 2-cent contribution, but none of your observations is
relevant to this case.
About the original post: while I think that options "noinv" and "nosym" are
a disgrace, I agree that one should obtain the
Hello Franklin,
IMO, the cutoff of 41 Ry is too short for a proper and stable structure
convergence. How does the stress tensor compare at the last step of vc-relax,
and at the verification step (latest stress tensor written in the output file)?
I'm more familiar with organic systems. But I
