Dear all, I am doing a relax calculation on TiO2:Er, the calculation stops with the above named error. Please somebody to help me. Where did i go wrong? Attached is the input as well as the output files. Kind regards Mulwa Winfred. D Phil Student, Computational Material Science Group, University of the Free State - QwaQwa, South Africa.
Er-2pcnt.in
Description: Binary data
Er-2pcnt.out
Description: Binary data_______________________________________________ Pw_forum mailing list Pw_forum@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum