Good evening all. I am running a siesta/ transiesta calculation and when i started my transiesta calculation there seems to be some issue with the scattering run. It says " Error in specifying the type of an atom!. Atoms specified is above the total number of atoms!" The number of atoms are consistent and the atom type is carbon. So I am not sure why i got that error. Any thoughts?
Ran siesta to find the TSHS FILES and was successful When i wanted to run transiesta i got that error