Could not generate bulk file about doped

[kavanase]

HI @007szs
This is not a component of the doped code, you have to generate the bulk supercell structure yourself. You can do this with the pymatgen functions to generate a supercell (with structure.make_supercell(); https://pymatgen.org/pymatgen.core.structure.html#pymatgen.core.structure.Structure.make_supercell) and convert from primitive to conventional beforehand if needed. So you can then run the bulk cell calculation and name the bulk folder whatever you like, it doesn’t have to be “Bulk_Supercell”.

An example for this has now been added to the example notebook with commit #ada67de on the develop branch.
I hope this answers your question!

[007szs]

Hi, @kavanase
My question was fully solved according to you answers. Thanks very much!