Dear All,
May I know how to create a relativistic pseudopotential file for siesta?
My Regards
Hi,
In the SIMUNE webpage, those pseudopotentials generated by SIMUNE (marked with Ⓒ) are all relativistic.
Alternatively, you can download the ATOM code (Pseudopotentials) and generate the relativist pseudo following the instruction in the ATOM User Manual.
Hope this will help.