Dear transiesta users,
i am using SIESTA 4.1-b1 to do transport calculations. for scattering calculations, i define the electrodes like this : ===================================== #define electrodes %block TS.Elecs Left Right %endblock TS.Elecs ===================================== #define "Left" electrode %block TS.Elec.Left HS GR_Electrode_Left.TSHS chem-pot Left #chemical potential corresponding to this electrode semi-inf-dir -a3 #transport direction in this electrode elec-pos begin 1 #number of first atom of "Left" electrode %endblock TS.Elec.Left ===================================== #define "Right" electrode %block TS.Elec.Right HS GR_Electrode_Right.TSHS chem-pot Right semi-inf-dir +a3 elec-pos end -1 #last atom of "Right" electrode corresponds to last atom in geometry %endblock TS.Elec.Right ===================================== the calculations stops with this error : Left electrode file does not exist. Please create electrode 'NOT REQUESTED' first. i verify the existence of the electrode.TSHS file (GR_Electrode_Left.TSHS) and that the positions in the scattering are the same as in the left electrode any suggestions please kind regards taoufik
