Since it deals with Spin-Orbit coupling, I was expecting a more complicated pseudopotential than the LDA-TM one,
However, the HGH pseudo-potentials have only a few lines. Am I missing anything?
What's more, for calculation of spin-orbit coupling in LDA, can I simply use LDA-TM? Or hgh is a requirement?
Many thanks!
Why HGH PsP only has several lines? [SOLVED]
Re: Why HGH PsP only has several lines?
Well when I saw the original paper and see it is analytical form then I came to realize how it works.
Still there is one thing I am confused, that in a S-O coupling calculation, is hgh potential the only choice?
Still there is one thing I am confused, that in a S-O coupling calculation, is hgh potential the only choice?