[Pw_forum] About lattice parameter

[oulihui666]

 Dear pwscf users,
    Recently, I have a problem about lattice parameter, and I search the whole email list, I do not find the answer, so I hope I could everyone's help. In many literatures, I found that many people have calculated theoretical lattice parameters, and then constructed various adsorption model according to theoretical lattice parameters. Here, I feel confused why people do not use experimental lattice parameters during the calculation?  In my opinion, using experimental lattice parameters should be more appropriate. Any suggestion will be appreciated.
 
Thank you in advance
best wishes
Lihui Ou
 

--

======================================
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
======================================
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20080423/38536ee9/attachment.html>