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temperature
Posted: Wed Nov 09, 2016 1:43 pm
by rrpalanichamy
We have used tags given in VASP manual for thermodynamical calculation. But, when we include the temperature, the program is not converged. In the OUTCAR, the result is "wave functions is rotated". Why? How to find Cp and Cv values?
Re: temperature
Posted: Thu Sep 12, 2024 7:51 am
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