This is also the POSITIONS.fdf input file for my left electrode. On Wed, May 11, 2016 at 9:25 AM, Seyed Mohammad Tabatabaei <[email protected] > wrote:
> Thank you for your time. > > The older version is "siesta-3.2-pl-5". > > I have checked my coordinates several times and I think they are currently > "equivalent with respect to a common translational vector." so I would be > really grateful if you explain to me the cause of this error. > > The inputs to both versions are identical so I only attach the output > files. I have also attached the output file for left electrode calculation. > Bests, > Mohammad, > > On Tue, May 10, 2016 at 11:26 PM, Nick Papior <[email protected]> > wrote: > >> 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 >> > >
POSITIONS.fdf
Description: Binary data
