Hello,

I primarily run high-throughput calculations of large datasets via MaterialScript. Recently, I am wanting to try a set of norm-conserving pseudopotentials that do not come with Materials Studio. While I can select specific pseudopotentials within the CASTEP calculation dialog, it appears that I cannot specify pseudopotentials for scripted runs.

Unfortunately, one does not have an opportunity to make edits to generated .param and .cell files before a calculation run starts, else I'd read and modify the .cell file to specify the correct pseudopotential.

Is there a way to change what CASTEP pseudopotentials are selected by default in Materials Studio? I am using Materials Studio 7.0.

Thanks,

Stephen Monaco