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
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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
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