Hi,I try to download the DOS data through MPRester
:
with MPRester('API_KEY') as mpr: dos = mpr.get_dos_by_material_id('mp-126') spd_dos = dos.get_spd_dos() dos_eng = spd_dos[OrbitalType.d].energies.tolist() d_dos_dens = spd_dos[OrbitalType.d].get_densities().tolist()
However I got a differnet DOS compared with the data in website. For example, data from API has no electron distributed at Fermi level…I am wandering if I made something wrong?
many thanks!
Jaekr