How to use the virtual crystal approximation (VCA)

[sdeepmanav]

Dear VASP users,

I was wondering about the phonon calculations for disordered materials. To handle the disorder, one can use solid-solution model such virtual crystal approximation (VCA) and coherent potential approximation (CPA) and of course, supercell method is also the way. I know CPA is not implemented in VASP but VCA is available in VASP. But I do not know how to handle pseudopotential for real materials in VASP, even I did not find much more about it on vasp wiki. Can someone let me know about the mixing of pseudo potential for virtual crystal approximation in VASP?

Thanks and kind regards

Sandeep

[henrique_miranda]

Please have a look in our wiki page regarding virtual crystal approximation:
wiki/wiki/index.php/VCA
There you also find some literature on the topic.
Pay special attention to the potential caveats that you might find.

Let us know in case some information is missing.

PS: I changed the title of the post to better reflect your actual question

[sdeepmanav]

Thanks a lot for this information.