Interface to VASPΒΆ

Pylada provides an interface wrapping the VASP density functional theory code. This interface manages the input to VASP, launching the code itself (as an external program), and retrieving the results as python object. When combined with the job framework and its attendant ipython interface, it becomes a powerful building block to create complex computational schemes.

The following is an introduction on how to use the interface by itself. It is most usefull, however, in conjunction with the high-throughput scheme and its ipython interface.

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