Dear all, I am doing the optical properties of TiO2 doped with Erbium, but my scf calculation is not converging. Please some body help. Attached is the input file. Kind regards Mulwa Winfred. D Phil Student, Computational Material Science Group, University of the Free State - QwaQwa, South Africa.
ana3.scf.in
Description: Binary data
_______________________________________________ Pw_forum mailing list Pw_forum@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum
