Re: [SIESTA-L] How to find find variation of potential with distance in siesta

2020-09-21 Por tôpico Nick Papior
How did you do it? How were your unit conversions etc.? Remember that sisl automatically converts to eV and Ang when reading siesta files. Den man. 21. sep. 2020 kl. 15.22 skrev Harkishan Dua : > We are working on a system similar to the paper attached. In the paper it > can be seen in Figure 1.

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2020-09-21 Por tôpico rayan moukhadder
Dear siesta users, I performed several transiesta runs with the leads being parallel to each other, now if I want to perform another calculation where the leads should be antiparallel to each other what new conditions should be added to the input file of the leads? In another words what are the co