[Pw_forum] vacuum level
Mohamad Moadeli
mohammad.moaddeli at gmail.com
Thu Jan 29 15:13:18 CET 2015
Dear all users,
As it is discussed in this link:
http://www.quantum-espresso.org/faq/self-consistency/#6.9
The value of the Fermi energy in the scf.out file is not the real one. For
calculating work function, one get the potential in the vacuum region
(average.out file). Is it (the maximum potential of slab) the real vacuum
level?
Thank you in advance for any help you can provide,
Mohammad Moaddeli
Shahid Chamran University of Ahvaz, Ahvaz, Iran
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20150129/900f0ea4/attachment.html>
More information about the users
mailing list