Thanks! -- 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：0930287221(中華) GMAIL：[email protected] <[email protected]> 2014-11-04 17:18 GMT+08:00 Nick Papior Andersen <[email protected]>: > Bias point resolution \approx V / TS.biasContour.NumPoints > > For 0.75 V and 300 points, the resolution is: 0.75 V /300 = 0.0025 dE > The resolution needed depends on the imaginary part (as you also quote). > > 2014-11-04 10:07 GMT+01:00 邵德喜 <[email protected]>: > >> 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]> >>> >>> >>> >> > > > -- > Kind regards Nick >
