[Pw_forum] Do you think we could fix certain bond length during the relax calculation

[Paolo Giannozzi]

vega lew wrote:

>   I am not sure. But when I specify the 'ion_dynamics = 'bfgs' ,', the 
> relax calculation could run smoothly.

of course it does, but does it enforce constraints?

-- 
Paolo Giannozzi, Democritos and University of Udine, Italy