Multiwfn forum

Louischarlc0

Member

Registered: 2020-07-21

Posts: 58

Orca

Dear Prof Lu

To perform the ETS-NOCV I see you need Orca so that you can convert the gbw files to Molden files as input.  I also notice in the multiwfn application software there is no option 23 to perform the ETS-NOCV. I tried to re-install the multiwfn package but unfortunately it wasn't formatted. As there are several versions of Orca software, which version can I install and how can I re-install a formatted multiwfn software with the updated multiwfn application software?

Thanks in advance

Regards
Louis-Charl

sobereva

Tian Lu (Multiwfn developer)

From: Beijing

Registered: 2017-09-11

Posts: 1,468

Website

Re: Orca

Dear Louis-Charl,

You Multiwfn version is too old, please download latest version.
Both ORCA 4.x and 5.x are OK.

Best regards,

Tian