the structure cannot converge

[weiyidan]

Dear Professore,
when i did my calculation with ISIF=2 and IBRION=1 to reach ediffg=-0.01, it was hard to converge which had converged by IBRION=2 with the criterion of ediffg=-0.3. Can you give me some suggestions? This troubles me for a long time.
Thanks for attention and reply.

[graeme]

The energy is dropping so I would continue with your convergence. You might lower POTIM to improve the convergence rate. But anyway, it seems to be progressing ok.

[weiyidan]

Thanks professor,best wishes for you

[weiyidan]

dear professor,
can you teach me how to judge the declining of energy? Is it by E0 in OZICAR?
Thanks for your attention and reply.