PAW calculation in EPH

Running Abinit Response calculations
1

Hello
Can we do PAW calculations for EPH in Abinit 9.10.3?

2

Hi Vinod,

nope - not yet. Most ingredients are in place, but not all. Symmetrizing PAW quantities for the perturbed potentials is quite complex.

3

PS: you can use the legacy version with anaddb DFPT and PAW. There is no fancy interpolation, and it’s more cumbersome (see the old tutorials) but it works. We did several calculations this way.