Why HGH PsP only has several lines?  [SOLVED]

External optional components of Abinit (BigDFT, Wannier90...) and codes using/providing data from/to Abinit (AtomPAW, ONCVPSP, EXC, DP, Yambo...)

Moderators: ebousquet, bxu

Locked
ljludwig
Posts: 77
Joined: Fri Jun 08, 2012 5:19 am

Why HGH PsP only has several lines?  [SOLVED]

Post by ljludwig » Wed Nov 27, 2013 3:22 am

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!

ljludwig
Posts: 77
Joined: Fri Jun 08, 2012 5:19 am

Re: Why HGH PsP only has several lines?

Post by ljludwig » Wed Nov 27, 2013 3:49 am

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?

Locked