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non self-consistent DFT energies in VASP

Posted: Tue Apr 14, 2009 12:08 pm
by gpkmohan
Dear VASP team,

There are some DFT programs which are capable of producing self-consistent DFT energy with one selected functional and at the same time supply non self-consistent DFT energies in the output for the other functionals which are available for the programs.

ex. If we select PW91 functional for the calculations it also produce non self-cocnsistent energies for say, PBE,RPBE etc.

Is this kind of option is available in the current version of the VASP ? if not, Would it available in future versions ?

thanks in advance

Best regards

Krishna Mohan G P

Theor Chem
University of Leiden

Re: non self-consistent DFT energies in VASP

Posted: Wed Sep 04, 2024 2:06 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