[Pw_forum] VCA for positional disorder

Novendra Novendra novendra.andra at gmail.com
Mon Apr 3 20:34:23 CEST 2017


Dear QE developers,

I am trying to prepare input file for a system with a positional disorder.
I have seen some example where VCA can be applied for system with
substitional disorder, where in that case a virtual PP can be prepared by
mixing PP of different elements. In the case of positional disorder, is it
possible to prepare a virtual PP by mixing with an "empty" PP?

Thank you,

Novendra Novendra
Ph.D Student,
Department of Chemical Engineering & Materials Science
University of California, Davis
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