Dear Esmaeil, Thank you for your kind helps. We have done this before but it didn't work and the problem was still outstanding. Best wishes, Maryam Jamaati
On Sun, Nov 11, 2018 at 12:32 AM Esmaeil Farajpour Bonab < e.farajpou...@gmail.com> wrote: > Dear Maryam, > > Please consider to what it is recommended to do during different finite > bias calculations: manual page 125. > You could increase the MaxSCFIterations first, if it does not work during > for example 5000 iteration, you can change either the value of > DM.MixingWeight or DM.NumberPulay. > I hope it helps you to solve the problem. > > Regards, > Esmaeil. > > On Fri, Nov 9, 2018 at 10:00 PM maryam jamaati <m.sjama...@gmail.com> > wrote: > >> Dear Siesta users, >> >> We are trying to calculate the I-V characteristic of a hybrid structure. >> For zero bias voltage Transiesta converges very fast. But for other bias >> voltages it doesn't >> converge even after 1000 step. The fdf file is attached. >> I would be pleased if one could help us to solve the problem. >> >> Best regards, >> Maryam Jamaati >> >
