What is so called "PBC" here?
2014-08-26 11:55 GMT+08:00 joyce79928cc . <[email protected]>: > Dear: > > I want to do a transiesta calculation. > I know I should use transiesta to calculate electrode > with SolutionMethod=Diagon first. > since my electrode model is a (111) direction Al, I have 3 layer(ABC > sequence) and 9 atoms for a plane. > should I set my electrode isolate in x-y direction or continuous with > PBC?( is transiesta have PBC in x-y direction?) > but if I choose isolate electrode , the side of the electrode will become > surface right? > > the files attached are isolate electrode and continuous electrode. > thank you! > > -- > Best Regards > > 邱芳瑜 Chiu Fang Yu > 國立成功大學 材料科學與工程學系碩一 > MOBILE：0930287221(中華) > GMAIL：[email protected] <[email protected]> > > >
