[Pw_forum] questions on an interfacial energy calculation

[Tram Bui]

Dear QE Users,

     Does anyone in the forum have the experience with interfacial energy
calculation using QE. My question is that is it possible to do so with the
way the input file being set up in Quantum-espresso? I'm hoping to run some
interfacial energy calculations between ZrH and Zr. Please let me know if
you have any suggestion.

Regards,

Tram Bui

M.S. Materials Science & Engineering
trambui at u.boisestate.edu
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20121204/da8839bc/attachment.html>