Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

sumo-dosplot: superimposing multiple DOS plots #166

Open
Kardimum23 opened this issue Jul 7, 2022 · 1 comment
Open

sumo-dosplot: superimposing multiple DOS plots #166

Kardimum23 opened this issue Jul 7, 2022 · 1 comment

Comments

@Kardimum23
Copy link

I have two separate vasprun.xml files and wish to superimpose their DOS plots, but I am unsure how to go about doing so. Any help is highly appreciated.

@ajjackson
Copy link
Member

Hi,
this functionality is not currently supported in Sumo.

Sumo DOS plots default to showing contributions from orbitals, so it is likely that a plot of several superimposed PDOS would be totally illegible. Overlaying TDOS plots would be more reasonable, but care should be taken with the energy reference levels.

Sumo does write out DOS data to plain-text files. You should find those files fairly straightforward to import into e.g. GNUPlot, Origin, Grace or a Python script if you would like to make a custom plot. I think some of our users do this routinely.

If/when we improve the Sumo Python API it might become easier to suggest a short script for such things. We'll keep it in mind!

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

No branches or pull requests

2 participants