vaspparser.vasp.output.GenericOutput

class vaspparser.vasp.output.GenericOutput

Bases: object

This class stores the generic output like different structures, energies and forces from a simulation in a highly generic format. Usually the user does not have to access this class.

log_dict

A dictionary of all tags and values of generic data (positions, forces, etc)

Type:

dict

__init__()

Methods

__init__()
to_dict()	Serialize the generic and DFT-specific output into a dictionary.

Attributes

bands

The electronic band structure object.

property bands: ElectronicStructure

The electronic band structure object.

Type:

ElectronicStructure

to_dict() → dict

Serialize the generic and DFT-specific output into a dictionary.

The returned dictionary merges log_dict (generic quantities such as forces, positions, energies, cells) with a "dft" sub-dictionary containing DFT-specific quantities (magnetization, Fermi level lists, SCF energies, etc.) and optionally a "bands" key with the electronic structure.

Returns:

Dictionary of all generic and DFT output quantities

Return type:

dict