ABINIT Discussion Forums

I have a general question.

If I want to perform geometry optimization, then in general I have to use toldfe 10-12, but for ecut, the convergence with accuracy within 1mHa is enough (or such accuracy can not be required)? Which test for ecut should be performed?

Best wishes, Maxim.

I seem to understand it myself. To find out whether a particular etsut is enough for geometry optimization, I have to check convergence of forces in ecut, right?

Right ... there is no such a thing as a "good" ecut for any kind of pseudo. You have to check by yourself as for example in http://www.abinit.org/documentation/helpfiles/for-v7.0/tutorial/lesson_paw1.html

kind regards,

Alain

Thank you very much, I will surely check it out