Multiwfn forum / How can i get wfx file for MP2?

Re: How can i get wfx file for MP2?

dummy@example.com (choconostle123) — Thu, 18 Dec 2025 18:00:00 +0000

Thank you very much for your time and support.

Re: How can i get wfx file for MP2?

dummy@example.com (sobereva) — Thu, 18 Dec 2025 15:41:37 +0000

Example:
# MP2/cc-pVTZ density out=wfx
...
D:\test.wfx

Then you can use the test.wfx as input file of Multiwfn to perform various wavefunction analyses.

If you are using Gaussian >=G09 C.01, then "density" can be omitted, because "density" is the default setting in the case of "out=wfx".

How can i get wfx file for MP2?

dummy@example.com (choconostle123) — Thu, 18 Dec 2025 03:51:56 +0000

Hello I hope you are doing well.

I would like to ask about the MP2 WFX file, because I want to use the wavefunction from an MP2 calculation in Gaussian (with the keyword density=current) in AIMAll. However, I am not sure whether I need to modify the file or do anything else. Finally, is it possible to do this using Multiwfn?

Thank you very much in advance for your time and support.