Dear all,

I try to use Dmol3 to optimized the cell structure. Normally, cell optimization is required the input pressure or manything. I can not see that in dmol3. I try to find some explaination in Holp topic but I can not.

Have anyone can help me to explain a little bit the way Dmol3 using to optimize the cell?

I appreciate to all your help.

Sincerely,

Dinh Loc Duong