calculate_pdos
Full name: ase2sprkkr.asr.pdos.calculate_pdos
- ase2sprkkr.asr.pdos.calculate_pdos(dos, calc)[source]
Calculate the projected density of states.
- Returns:
energies (nd.array) – energies 10 eV under and above Fermi energy
pdos_syl (defaultdict) – pdos for spin, symbol and orbital angular momentum
symbols (list) – chemical symbols in Atoms object
efermi (float) – Fermi energy