Hi Roberto,
The first reference is the closest in spirit, except that we incorporate the
mix as the pseudopotential of a new "alchemical" species
instead of keeping separate "pure" ghost atoms and using a weight factor for
each.
The second reference imposes extra conditions on the
Dear developers,
I'd like to know if there is a specific reference for the method
of mixing pseudopotentials implemented in the VCA mixps utility.
Are general refs. such as these two below suitable?
L. Bellaiche & D. Vanderbilt, Phys. Rev. B 61(12), 7877 (2000)
N.J. Ramer & A.M. Rappe, J.
