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

static-energy

Workflows for calculating the energy of material

Available calculators:

vasp

matproj

based on pymatgen's MPRelaxSet

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matproj-hse

based on pymatgen's MPHSERelaxSet

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matproj-scan

based on pymatgen's MPScanRelaxSet

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mit

based on pymatgen's MITRelaxSet

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mvl-neb-endpoint

based on pymatgen's MVLCINEBEndPointSet

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quality04

for randomly-created structures

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