You have defined some atoms to be both an electrode and a buffer atom. I.e.
TS.Atoms.Buffer is probably ill-defined, otherwise is your electrode
ill-defined.
Please carefully go through your input to check the atoms region (Buffer,
Electrode, Device).
2017-03-16 16:03 GMT+01:00 anita dameh
Dear Transiesta useres and developers,
I am trying to run the transiesta calculation using siesta 4.1b2 but the
code stoped with following error:
Error in setup. Atoms are having two types, check for electrode and buffer
atom overlap...
Error in setup. Atoms are having two types, check for