Dear Mohammad, 2016-05-10 17:46 GMT+02:00 Seyed Mohammad Tabatabaei <[email protected]>:
> Dear all, > > I have the two latest versions of transiesta installed on my computer. > The older version does not print any errors for my electrode positions > but the newer version (siesta-4.0b-485) prints this error for a 100 > percent identical calculation: "The electrodes are not situated in the > same coordinates. Please correct." and stops. > Which version is the old version? > > I have read a similar thread about this issue and the suggestions > therein but I think the newer version of transiesta falls short of > understanding the fact that the positions of the electrodes may not be > identical (same/equal) but they can be equivalent. Particularly, this > sentence can be found in the manual of both versions: > ".... Here, equivalent means that they can be made equal by a simple > translation in space." Yes, this sentence is true. The electrode coordinates need not be EXACTLY the same. They only need to be equivalent with respect to a common translational vector. > > I would be really thankful to anyone who helps me understand the issue. > We need more information, input/output of both the old and new version. > Bests, > Mohammad, > -- Kind regards Nick
