[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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20170403/62f30bec/attachment.html>
More information about the users
mailing list