Extract data for band structure

Dear Users,

For transport properties using BoltzTrap, we need band structure data. Can someone let me know how to extract this data for many structure together using MAPI?

Thanks and regards


1 Like

Hi Sandeep,

I would suggest generating a list of Materials Project IDs and using the get_bandstructure_by_material_id method of MPRester to obtain pymatgen band structure objects.

from pymatgen import MPRester
mpr = MPRester("YOUR_API_KEY")
bs = mpr.get_bandstructure_by_material_id("mp-149")

– Jason