Multiwfn forum

ashvi710

Member

Registered: 2024-10-24

Posts: 1

Adding wfn file for sphericalized electron density

Hi all,
For plotting the deformation density map, with manually obtained sphericalized atomic density, I am unable to proceed with plotting the map.

I have added the corresponding wfn file (I.wfn) to the atomwfn folder, and even multiwfn is displaying it in the list while reading the wfn file for calculating the spherical atomic density, but it is unable to read the file.

Can anyone suggest what is the issue here.

sobereva

Tian Lu (Multiwfn developer)

From: Beijing

Registered: 2017-09-11

Posts: 1,830

Website

Re: Adding wfn file for sphericalized electron density

It should be "I .wfn" rather than "I.wfn"