I-V Curve of BDT Device

[Khattab]

Dear All,
I want  to calculate Some parameters for BDT , so recalculated the I-V curve and Transmission spectra for BDT and compared them with reference paper ( Computational Materials Science 27 (2003) 151-160), Transmission spectra curve i calculated is in a good agreement with the published curve in Fig(2) in the paper, but unfortunately  I-V curve i calculated is not Like published curve in Fig (4) in the paper.
The attached file is the curve i calculated.
Could anyone  Help me please 
Kind Regards,
Khattab

[Umberto Martinez]

Check the ATK Tutorial for Molecular Devices and in particular the I-V characteristics section.

[Anders Blom]

The 2003 paper only considers Gamma point, if I remember correctly. Also, the exact curve is quite sensitive to small details in the configuration and model; the code used for the paper was very primitive compared to ATK of today

[Khattab]

Dear Dr Umberto Martinze & Dr Anders Blom,
Firstly, Thank you for your rapid replay.
Secondly, I am so sorry for my delayed replay .
Thirdly, I follow your guides and the attached file is comparison between the published I-V curve (Computational Materials Science 27 (2003) 151-160) and the curve i calculated, is this is right??/
Kind Regards,
Khattab

[Umberto Martinez]

It looks much more reasonable.
As Anders wrote there are small differences due to methods and code.

[Khattab]

Dear Martinze,
Thank you very much for your replay and merry thanks for your interest to my topic .
Regards,
Khattab