ABINIT Discussion Forums

Hi
I have the same problem in relaxation & I know that relaxation's input variables are much more than "optcell" so I was wondering if you introduce some examples to me.
tnx
fariba

Hello,

You could start with the 4 basic lessons of the tutorial. Specifically, you will find information about relaxation in basic lesson 3. Do not forget to do your convergence studies (basic lessons 1-2). The basic lesson 4 deals with the metallic occupation of the energy levels.

David