Realtivistic Hamiltonians in Erkale?

[chrinide]

Dear Susi Lehtola,

Thanks so much for your great and unique Erkale code. Recently we would like to do a relativistic EMD calculations, however, there is only Erkale can do non-relativistic EMD. (A wrong operation )in my old post closed #60)

So I would like to know is there any possibility to implement any Relativistic Hamiltonians(Just like the simplest ZORA, or the famous X2C) in Erkale?

[susilehtola]

You can run the relativistic calculations in another program like Gaussian or Psi4, and read in the formatted checkpoint files into ERKALE as instructed in the users' manual.