[Pw_forum] Data from plot or curve

[Paolo Giannozzi]

Code "ev.x" performs a fit with an equation of state: see
PW/tools/ev.f90

P.
On Tue, 2013-12-17 at 00:06 -0800, Elliot sarpong Menkah wrote:
> Hello Everyone,
> 
> 
> I'm making a convergence test to sample out the ideal lattice
> parameter of a nickel bulk structure.
> 
> 
> I want to know if you take the lattice prarameter from the curve by
> inspection or your have to fit it and take the lattice parameter from
> calculation.
> 
> 
> I'm using xmgrace for the plot and using Quantum Espresso for the
> work.
> 
> 
> Thank you.
>  Regards,
> 
> Elliot.
> 
> 
> Elliot Sarpong Menkah
> Graduate Student - Computational Chemistry / Computational Material
> Science.
> Theoretical and Computational Chemistry
> Dept. of Chemistry
> Kwame Nkrumah University of Science and Technology (KNUST),
> Private Mail Bag,
> Kumasi,
> Ghana.
> Mobile:+233-243-055-717,+233-202-929-058
> 
> 
> Alt. Email: elliotsmenkah at gmail.com
>                 elliotsmenkah at hotmail.com
> 
> webpage:
> http://archive.knust.edu.gh/pages/sections.php?siteid=chemistry&mid=806&sid=2754
> 
> 
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum

-- 
 Paolo Giannozzi, Dept. Chemistry&Physics&Environment, 
 Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
 Phone +39-0432-558216, fax +39-0432-558222