shrink_expand_structure¶

atomate2.common.jobs.gruneisen.shrink_expand_structure(structure, perc_vol)[source]¶

Create structures with expanded and reduced volumes.

Parameters:

structure (.Structure) – optimized pymatgen structure obj
perc_vol (tuple(float, float)) – percentage to shrink and expand the volume

Return type:

Response object with structures that have expanded and reduced volumes