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
