ABINIT Discussion Forums

Hi everybody,
I urge a clearing: is PAW (+spin-orbit) UPF format readable by ABINIT? I tried to use some of these type of PP's from some library, but they failed to run. Is it PP's problem or ABINIT's?

I urge answers, if possibile (you know, thesis work... )

Thanks in advance.

Hi, I'm performing GW calculation on Silicon (I'm just little modifying the ABINIT tutorial input). I wanted to know if it is possible to recover band structure along a certain path WITH GW CORRECTION. I'm new user, so I don't really know how to do. I've seen that GW points where to calculate correc...

Thanks for the reply. As regards the splitting error do you have any suggestion?

Hi everybody, I'm new to Abinit. I'm trying to reproduce Germanium band structure with an HGH pseudopotential and spin orbit interaction. It works pretty well, but it fails in reproducing the double degeneracy of the heavy hole at GAMMA point. I post my input: # Computation of the band structure. # ...