[ase-users] Implementing our own calculator

[Phani Motamarri]

Hi,

We have a in-house DFT code based on real-space basis and we would like to
link it  to the Atomic Simulation environment to conduct MD simulations and
other routine stuff like plotting bandstructures, density of states and so
on. I am new to ASE and I am wondering if someone could give me a few
pointers to implement a new calculator(our in-house DFT code) which can
link to ASE code.

Thanks and Regards
Phani
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