Multiwfn forum

gao@gao@gao@gao

Member

Registered: 2024-09-25

Posts: 4

Constructing Cluster Models with Multiwfn

When using Multiwfn to construct a cluster model, Multiwfn does not recognise the type of atom correctly, for example, when I have an N atom, it recognises it as a C atom, how can this be resolved?

In the picture, the ones circled in red are supposed to be N atoms, but they are recognised as C atoms, how can this be solved?

sobereva

Tian Lu (Multiwfn developer)

From: Beijing

Registered: 2017-09-11

Posts: 2,011

Website

Re: Constructing Cluster Models with Multiwfn

Please make sure that the atom names in your input file correspond to element names.