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CRTA calculation takes longer than SERTA with identical settings
Posted: Mon Sep 22, 2025 7:37 pm
by hamza_bouafia_LGP
Dear VASP community,
Is it normal that a CRTA calculation takes more computing time than a SERTA calculation, even though I kept the same input parameters (Ecut, KPOINTS, POTCAR)?
Both INCAR files are attached
Thanks in advance for your help
Re: CRTA calculation takes longer than SERTA with identical settings
Posted: Tue Sep 23, 2025 11:01 am
by alexey.tal
Dear hamza_bouafia_LGP,
Thank you for your question.
I see that in these two calculations you use different tags that could affect the performance. Also, it would be helpful to know how large the difference in the compute time is. Could you please provide all the relevant input and output files (see guidelines). Most importantly the OUTCARs.
Best wishes,
Alexey