INCAR (cusp.incar)

The VaspIncarData is the central object used to define and pass INCAR parameters to the VASP calculation object. This data class is published by the plugin using the cusp.incar entry point and can be loaded via AiiDA’s DataFactory() function. Note that in order to use the class as input for VASP calculations it has to be first initialized with the desired input parameters. As discussed in the following, the parameters may be passed to the constructor either directly (i.e. as dictionary) or indirect via a pymatgen Incar instance.

Initializing the class

In general the constructor of the VaspIncarData class is of the following form:



  • incar (dict or – The INCAR parameters used to run a VASP calculation. May be given as Incar object which is useful if you want to use the parameters directly from a pymatgen set. Alternatively, if you do not use a pymatgen set the desired parameters may also be passed directly as dict of the form

    incar_params = {
       'PARAM_1': VALUE_1,
       'PARAM_2': VALUE_2,
       'PARAM_N': VALUE_N,

    In that case, the dictionary keys (PARAM) define the INCAR parameter to be set and the values (VALUE) the corresponding value.

Implemented Methods and Attributes


Create and return a Incar instance initialized from the node’s stored incar data contents.

Returns:a pymatgen Incar data instance


The following example illustrates how to initialize the object from an INCAR parameter dict

>>> from aiida.plugins import DataFactory
>>> IncarData = DataFactory('cusp.incar')
>>> incar_params = {
...    'ALGO': 'Fast',
...    'EDIFF': 1.0E-6,
...    'EDIFFG': -0.01,
...    'LWAVE': False,
...    'MAGMOM': 56*[0.6],
... }
>>> incar = IncarData(incar=incar_params)
>>> print(incar)
uuid: dc37533e-9d70-4493-8c6f-f51a503cd3e5 (unstored)
>>> print(incar.get_incar())
ALGO = Fast
EDIFF = 1e-06
EDIFFG = -0.01
LWAVE = False
MAGMOM = 56*0.6