Dear siesta users I am using transiestacode to get the I-V characteristics of Armchair MoS2 nanoribbon as scattering (with8 unit cells) and electrode material. All the calculations (electrode,transiesta and tbtrans) run perfectly for the voltage range of 0-2V with goodSCF convergence. However, in all voltages I get nearly zero transmission inthe bias window and consequently very low current (about 10^-16 A). Since my armchair MoS2NR is a semiconductor with the bandgap of about 0.5 eV I expected that current should start to increase exponentially from 0.5 V bias and reach the order ofmicro Ampere. I have attached .fdf files of my scattering and electrodes. I would appreciate ifsomeone could help me to find the problem. Best regards Somayeh Gholami
nanoribbon.fdf
Description: application/vnd.fdf
Description: application/vnd.fdf-- SIESTA is supported by the Spanish Research Agency (AEI) and by the European H2020 MaX Centre of Excellence (http://www.max-centre.eu/)
