Multiwfn forum / How to find method/basis for an existing WFN file?

Re: How to find method/basis for an existing WFN file?

dummy@example.com (saeed_E) — Thu, 14 Nov 2024 23:06:47 +0000

Dear Tian,
Thank you very much.

Sincerely,
Saeed

Re: How to find method/basis for an existing WFN file?

dummy@example.com (sobereva) — Thu, 14 Nov 2024 22:49:00 +0000

Dear Saeed,

Unfortunately, it is not possible to directly derive the method and basis set used for generate the .wfn file.

Best,

Tian

How to find method/basis for an existing WFN file?

dummy@example.com (saeed_E) — Thu, 14 Nov 2024 22:34:49 +0000

Dear Tian,
Please suppose a given "WFN" file is at hand. Is there any way to find which "method/basis set" is employed to generate such a file? Usually, this information is not included in a generated "WFN" file.

Sincerely,
Saeed