Dear VASP users,
I have carefully read the wiki page on the VCA (and VCAIMAGES) tag but still have a question regarding its application.
In the tutorial, the VCA tag is used to simulate Sn doping in a Ge lattice. This is achieved using a POTCAR file with Ge and Sn datasets, a POSCAR file where the atomic positions are duplicated, and setting the VCA tag to 0.99 0.01.
How should the VCA tag be set to simulate a material of the form A1-xBxC1?
(i.e., where two atomic species are mixed, but the third species has full occupancy.)
Best regards,
Marie