[Pw_forum] Exfoliation Energy

[Ibrahim Yahaya Muhammad]

Dear Giuseppe,
Thanks for your reply. The pseudopotential worked perfectly.
Dear all,
How do I calculate exfoliation energy for MoS2 by comparing bulk energy
with the
energy of single layers and surface slabs using QE.

Best Regards,

Ibrahim Yahaya Muhammad

Department of Theoretical and Applied Physics,
African University of Science and Technology,
Abuja, Nigeria.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20171024/a7fa2379/attachment.html>