pyprocar.io.vasp.Procar

class pyprocar.io.vasp.Procar(filepath: str | Path)[source]

A class to parse the PROCAR file

Parameters:

  • filename (str, optional) – The PROCAR filename, by default “PROCAR”

  • structure (pyprocar.core.Structure, optional) – The structure of the calculation, by default None

  • reciprocal_lattice (np.ndarray, optional) – The reciprocal lattice matrix, by default None

  • kpath (pyprocar.core.KPath, optional) – The pyprocar.core.KPath object, by default None

  • kpoints (np.ndarray, optional) – The kpoints, by default None

  • efermi (float, optional) – The fermi energy, by default None

  • interpolation_factor (int, optional) – The interpolation factor, by default 1

Methods

Procar.__init__(filepath)

Attributes

Procar.kpoints_reduced

The kpoints in reduced coordinates

Procar.labels

Procar.orbital_names

Procar.orbital_names_old

Procar.orbital_names_short