Multiwfn forum

Multiwfn official website: //www.umsyar.com/multiwfn. Multiwfn forum in Chinese: http://bbs.keinsci.com/wfn

You are not logged in.

#2 Multiwfn and wavefunction analysis » About using multiwfn with Jaguar software » 2020-06-30 01:51:45

KuhyunJung
Replies: 2

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.

Board footer

Powered by FluxBB

Baidu
map