<![CDATA[Multiwfn forum / Orca]]> http://sobereva.com/wfnbbs/viewtopic.php?id=630 Sun, 20 Feb 2022 01:46:18 +0000 FluxBB <![CDATA[Re: Orca]]> http://sobereva.com/wfnbbs/viewtopic.php?pid=2287#p2287 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

]]> Sun, 20 Feb 2022 01:46:18 +0000 http://sobereva.com/wfnbbs/viewtopic.php?pid=2287#p2287 <![CDATA[Orca]]> http://sobereva.com/wfnbbs/viewtopic.php?pid=2285#p2285 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

]]> Sat, 19 Feb 2022 19:13:00 +0000 http://sobereva.com/wfnbbs/viewtopic.php?pid=2285#p2285