Multiwfn forum / About using multiwfn with Jaguar software

Re: About using multiwfn with Jaguar software

dummy@example.com (KuhyunJung) — Wed, 01 Jul 2020 05:07:26 +0000

I see.
Thank you for your kind reply.

Re: About using multiwfn with Jaguar software

dummy@example.com (sobereva) — Tue, 30 Jun 2020 01:57:27 +0000

I am not familiar with Jaguar, all formats containing wavefunction information that can be supported by Multiwfn have been listed in Section 2.5 of Multiwfn manual. If Jaguar is able to generate standard .wfn file, at least electron density difference map can be plotted by Multiwfn.

About using multiwfn with Jaguar software

dummy@example.com (KuhyunJung) — Tue, 30 Jun 2020 01:51:45 +0000

Dear all,

I have problem in creating a wfn file using not gaussian software but jaguar software.
So, refer to Jaguar manual, I add the [ip177=2] to the input and as a result, I was able to get an aimpac file.
Since then, I am having a problem to obtain EDDM by utilizing aimpac file.

If you have ever used multiwfn using jaguar, I would appreciate it if you could help me.

Thank for your effort.