aiida_quantumespresso.calculations.dos

Contents

`aiida_quantumespresso.calculations.dos`#

CalcJob implementation for the dos.x code of Quantum ESPRESSO.

Module Contents#

Classes#

DosCalculation

CalcJob implementation for the dos.x code of Quantum ESPRESSO.

class aiida_quantumespresso.calculations.dos.DosCalculation(*args, **kwargs)[source]#

Bases: aiida_quantumespresso.calculations.namelists.NamelistsCalculation

CalcJob implementation for the dos.x code of Quantum ESPRESSO.

_DOS_FILENAME = 'aiida.dos'[source]#

_default_namelists = ['DOS'][source]#

_blocked_keywords = [('DOS', 'fildos'), ('DOS', 'outdir'), ('DOS', 'prefix')][source]#

_internal_retrieve_list[source]#

_default_parser = 'quantumespresso.dos'[source]#

classmethod define(spec)[source]#: Define the process specification.