[Pw_forum] How to get vacuum level
Nicola Marzari
marzari at MIT.EDU
Fri Nov 14 07:58:56 CET 2008
oulihui666 wrote:
> Dear pwscf users,
> I want to calculate work function, I have got the fermi level, so I must
> get the vacuum level.
Dear Lihui,
on top of what Stefano Baroni just mentioned, there was a post not
more than 3 days ago from Nicholas Singh-Miller pointing out to a
tutorial on how to do this in detail.
nicola
> ======================================
> Lihui Ou
> PH.D Candidate in Electrochemistry
> College of Chemistry and Molecular Science
> Wuhan University,/430072/,Hubei Province,China
> /E-mail:oulihui666 at 126.com <mailto:oulihui666 at 126.com>/
> ======================================
--
---------------------------------------------------------------------
Prof Nicola Marzari Department of Materials Science and Engineering
13-5066 MIT 77 Massachusetts Avenue Cambridge MA 02139-4307 USA
tel 617.4522758 fax 2586534 marzari at mit.edu http://quasiamore.mit.edu
More information about the Pw_forum
mailing list