Download Simmate

You can install Simmate to host your own server and access advanced features

Due to limited resources, our website only includes a small number of features compared to the many available in the command-line and python. We highly recommend installing Simmate for local use, rather than just relying on the website.

Workflow Type

population-analysis

Workflows for predicting oxidation states within a material

Available calculators:

vasp

elf-matproj

based on pymatgen's MPRelaxSet

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vasp-bader

badelf-matproj

None

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bader-matproj

None

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