Re: [SIESTA-L] Transiesta error+Error in setup. Atoms are having two types, check for electrode and buffer atom overlap.

2017-03-17 Por tôpico Nick Papior
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

[SIESTA-L] Transiesta error+Error in setup. Atoms are having two types, check for electrode and buffer atom overlap.

2017-03-16 Por tôpico 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