The ABINIT Users Mailing List ( CLOSED )

[Gerbrand Ceder <gceder@MIT.EDU>]

Chemical potential is a thermodynamic quantity defined by energy differences
(e.g. the energy of the system + atom of type A minus energy of the 
original system).  So you can get it from appropriate energy 
differences.  This
would give you the zero-K chemical potential.  For finite temperature
you need to build statistical models from the zero-K data.



At 8:21 AM +0200 5/3/04, Ariesto Pamungkas wrote:
> Dear All Abinit User
>
>
> I only have have one question, can we calculate chemical potential 
> using abinit  ? how?
>
> best regard


--
Gerbrand Ceder
Richard P. Simmons Professor of Computational Materials Science
Massachusetts Institute of Technology
Department of Materials Science and Engineering
77 Massachusetts Ave Rm 13-5056
Cambridge MA 02139

http://burgaz.mit.edu/
ph:   617 253 1581
fax:  617 258 6534