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Replies : 0 Last Post : December 17, 2015 (Thu) 00:28:09

6667

convergence criterion & charge difference

Posted on : December 17, 2015 (Thu) 00:28:09

by Mariem

Dear Professor;

In my last results, I used ASW method and the convergence criterion is fixed to 10-8 Ry in the self-consistent procedure and charge difference ΔQ=10-8 between two successive iterations.

I want to know how and in which file I can adjust these parameters in code AKAI-KKR?

Best regards
Mariem