Available Data Types

In this chapter the calculation input and output data types for VASP calculations as implemented by this plugin are documented. Here, input data types implement a representation of input parameters passed to a VASP calculation (i.e. corresponding to INCAR, KPOINTS, POSCAR and POTCAR files) that is compatible with and storable to AiiDA databases. Contrary, the implemented output data types are used to store the generated outputs of VASP calculations to the AiiDA database. In order to see how the input data types can be initialized and how you can interact with both calculation inputs and outputs, please refer to the individual documentation of each datatype given below.


Note that VASP output files that are not listed here explicitly does not mean that the plugin does not know about them or does not know how to store or handle them. For such files simply no individual output datatype was implemented and those will be stored to the database using the implemented general VaspGenericData class.