Helps convert a DOS to tab-delimited. Useful for experimentalists working in Excel

get_dos_csv.py

from pymatgen import MPRester, Spin, Element


def print_dos_data(dos):
    print("The Fermi energy is {}".format(dos.efermi))

    cols = ["energy", "total_dos", "up_dos", "down_dos"]
    energies = dos.energies
    total_dos = dos.get_densities()  # note that you can also get smeaered densities using a different function
    up_dos = dos.get_densities(Spin.up)
    down_dos = dos.get_densities(Spin.up)

    element_dos = dos.get_element_dos()
    element_symbols = [e.symbol for e in element_dos]
    cols.extend(["{}_dos".format(e) for e in element_symbols])

    orbital_dos = dos.get_spd_dos()
    orbital_symbols = [o for o in orbital_dos]
    cols.extend(["{}_dos".format(o) for o in orbital_symbols])

    print '\t'.join(cols)

    for idx, energy in enumerate(energies):
        data = [energy, total_dos[idx], up_dos[idx], down_dos[idx]]
        for e in element_symbols:
            data.append(element_dos[Element(e)].get_densities()[idx])  # note that you can also specify a Spin in get_densities

        for o in orbital_symbols:
            data.append(orbital_dos[o].get_densities()[idx]) # note that you can also specify a Spin in get_densities

        print '\t'.join([str(d) for d in data])


if __name__ == "__main__":
    # get the CompleteDos object
    API_KEY = None  # put your MAPI_KEY here if env variable not set
    material_id = "mp-945184"

    mpr = MPRester(API_KEY)
    dos = mpr.get_dos_by_material_id(material_id)

    print_dos_data(dos)