ABINIT Discussion Forums

I've generated those using both "atom," which I think is distributed with Siesta, and "opium." If you use atom it is simply a matter of changing the Z input to a fraction. If you use opium it is similar, but you need to make a slight modification to the software to change the inp...

Hello, I’m interested in using VCA using mixalch and related flags. I’ve read the documentation and am comfortable with the options and requirements that are written. What is not clear to me from the documentation is if the pseudopotentials can have partial core corrections, PCC. (I know that the vi...