Multiwfn forum

Chaitanya

Member

Registered: 2022-07-30

Posts: 4

ORCA and Multiwfn

How to generate file for multiwfn from ORCA output file?

sobereva

Tian Lu (Multiwfn developer)

From: Beijing

Registered: 2017-09-11

Posts: 1,830

Website

Re: ORCA and Multiwfn

Please clarify which analysis you want to perform via Multiwfn.

Most wavefunction analysis functions in Multiwfn can use .molden file of ORCA as input file, see beginning of Chapter 4 of Multiwfn manual on how to generate it via ORCA.