Dear El_abed, Thanks a lot for your attention. We have coped MD and TSDE file from obtained zero voltage, but it doesn't solve the problem and still it doesn't converge. Best regards Maryam Jamaati
On Sun, Nov 11, 2018 at 12:31 AM El-abed Haidar <[email protected]> wrote: > Hello Maryam, > > In addition to copying the left and right TSHS files, you have to copy the > DM or TSDE file from the obtained zero voltage. > > Also based on what I have read from the siesta mail, you might have to > change some of the contour parameters. > > Hope that can help you out. > > El-Abed > > El-abed Haidar | Doctor of Philosophy (Science) > Condensed Matter Theory (CMT) Group > | School of Physics > THE UNIVERSITY OF SYDNEY | NSW | 2006 > > ------------------------------ > *From:* [email protected] <[email protected]> on behalf of > maryam jamaati <[email protected]> > *Sent:* Friday, 9 November 2018 5:08:24 PM > *To:* [email protected] > *Subject:* [SIESTA-L] problem transiesta convergence for non-zero bias > voltages > > 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 >
