I like to know the reasons of the following error:
iSCC Total electronic Diff electronic SCC error
1 -0.22879491E+03 0.00000000E+00 0.35364565E-08
I am working with a Coronene 7x7 structure stacked with a triazene ring. Initially, I am optimizing the system using DFTB+ methodology. What could be the reason for the failure of this job?
If needed extra information can be provided.
With advance thanks,
Keshab K. Adhikary
