MPLegacyEosDoubleRelaxMaker¶
- class atomate2.vasp.flows.eos.MPLegacyEosDoubleRelaxMaker(name='MP Legacy EOS double relax', relax_maker1=<factory>, relax_maker2=<factory>)[source]¶
Bases:
DoubleRelaxMaker
Workflow to generate initial MP legacy PBE-GGA double relaxation.
- Parameters:
name (str) – Name of the flows produced by this maker.
relax_maker1 (.BaseVaspMaker) – Maker to use to generate the first relaxation.
relax_maker2 (.BaseVaspMaker) – Maker to use to generate the second relaxation.
NB (WAVECARs are copied over to speed up calculation)