Workflow Results

population-analysis.vasp-bader.badelf-matproj

Description:

Runs a static energy calculation using an extra-fine FFT grid and then carries out Bader analysis on the resulting charge density using the ELFCAR as a reference when partitioning.

Required Parameters:

structure

All Parameters:

command
compress_output
directory
run_id
source
structure

Read through our our parameter documentation for more information.

Extras:

Filter Results:

Filter mix-ins: ['StaticEnergy']

Extra filters: []

Search Results:

No calculations found matching your search criteria!

Make sure you don't have a typo in your search. If you are searching for "Li-Co-O", common typos include searching "LiCoO" (missing hyphens), "Li-Co-O-" (extra hyphen), or "li-co-o" (lowercase). We are working to account for these common mistakes, but you'll have to fix these until then!

It is also possible that there just aren't any results for your search. In cases such as this, please reach out to our team and we can start exploring the system(s) you're interested in!

Download Simmate