[Re:01] Calculation results\\\" go\\\" ZnO doping at Co

Posted on : May 05, 2016 (Thu) 21:36:44

by Administrator

Dear Dr. MOUNA,

what you have to do is to repeat the calculation without delating your data file with keywords \"2nd\" and \"update\". Then your calculation will will be continued from where it stopped in the previous run. In this way, for ZnCoO system you can easily attained the full convergence.

Best

KKR administrator