Dear: TS.biasContour.Eta just controls the imagionary part.
2014-11-04 11:16 GMT+08:00 joyce79928cc . <[email protected]>: > Dear: > > I have encounter convergence problem in transiesta at larger bias (0.75V) > > I have two questions. > > First is that, > I search on the Internet and the mailbox of transiesta and find out that Nick > Papior Andersen siad: > > 'You should check how the convergence is, try to increase the number of > points on the non-equilibrium contour to increase accuracy. > You could also start by adding a larger imaginary part and then later > decrease it while increasing the number of points on the non-equilibrium > contour.' > > > I know 'increase the number of points on the non-equilibrium contour' is to > increase the set of TS.biasContour.NumPoints. > > but I am wondering how to 'adding a larger imaginary part'? > > > Second is that, > > in the mailbox Nick Papior Andersen also mentioned: > > 'your bias point resolution is very fine (dE = 0.0053 eV)' > > this sentence I thought is according to the sentence said by Alen H > > 'using 300 points for the non-equilibrium contour' > > so how comes the bias point resolution? > > > hope somebody can help me with the problem. > > 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二 > MOBILE： > +886 > 930287221(中華) > GMAIL：[email protected] <[email protected]> > > >
