There is no difference between +0.0 and -0.0 V. So something else is wrong. Please check your output whether transiesta has converged.
2016-09-24 8:45 GMT+02:00 Esha Shah <esha.phys...@gmail.com>: > Hello All, > > I am using transiesta for transport calculations across a single molecular > device with two electrodes. The transmission spectrum shows difference for > the +0.0 V and -0.0 V. Should both be exactly equal ? What causes this > difference, is there any problem with K-points ? I have considered > gamma-point only.... > > Any suggestions regarding overcoming this problem will be highly helpful. > > Thank you > Esha > > -- > *Ms. ESHA SHAH* (esha.physics > <https://sites.google.com/site/resumeesha/CV>) > Research Scholar > Computational Materials Physics Group > <https://sites.google.com/site/resgrdrr/> > Department of Applied Physics > S. V. National Institute of Technology, Surat > Gujarat, India- 395007. > Email: esha.phys...@gmail.com, ds13ph...@ashd.svnit.ac.in > www.svnit.ac.in > -- Kind regards Nick
