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Molecular Dynamics and ISYM

Posted: Wed Nov 07, 2007 3:14 pm
by LK
Hi!

I have performed several MD runs, but unfortunately, the ISYM-flag was not set, i.e. the default ISYM=2 was used. Now, I wonder if this has affected my PT melting curves? I mean, if the symmetry is there, will it be harder to melt, i.e. is more temperature needed?

Regards,

L.K.

Re: Molecular Dynamics and ISYM

Posted: Wed Sep 11, 2024 1:38 pm
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