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Does VASP have the function of the virtual crystal approximation (VCA)?
Posted: Thu Aug 04, 2011 4:21 pm
by tfl
If VASP has such function, how can we use it?
<span class='smallblacktext'>[ Edited ]</span>
Does VASP have the function of the virtual crystal approximation (VCA)?
Posted: Wed Aug 31, 2011 4:39 pm
by admin
the VCA is not supported by vasp (yet) at the moment
Does VASP have the function of the virtual crystal approximation (VCA)?
Posted: Fri Feb 10, 2012 4:24 pm
by oja
Quite interesting, then, that the VASP 5.2.11 OUTCAR file contains settings for VCA ionic weights.
They are set at 1.00 of course, for all the atoms involved, but that would indicate there is support for VCA in 5.2.11. However, there is no documentation on how to e.g. input such atoms in POSCAR.