Multiwfn forum

rossi

Member

Registered: 2023-01-27

Posts: 3

Density Difference using dx format generated by VMD

Hello,

Is it possible to obtain a density difference using the DX data generated with the volmap plugin in VMD?

I tried to find this in te Multiwfn user guide, but I could not. The user guide seems to support DX format, but I did not find any examples that could provide a way to manipulate the data.

I appreciate any hints on how to do this with Multwfn.

Thanks so much.

Kind regards,

Angelo

sobereva

Tian Lu (Multiwfn developer)

From: Beijing

Registered: 2017-09-11

Posts: 1,768

Website

Re: Density Difference using dx format generated by VMD

Dear Angelo,

You can directly load .dx file and process it in Multiwfn with exactly the same way as .cube file (amply exemplified in Section 4.13 of Multiwfn manual). Multiwfn supports lots of volumetric data formats (.cube, .dx, .grd, CHGCAR, etc.), it is impossible to explicitly provide examples for each of them.

Best,

Tian