[Pw_forum] constraints in the ionic dynamics

[alan chen]

Dear PWSCF users,
       I am now trying to impose some constraints in the ionic dynamics.
However, after I checked the code I found that if I use 'bfgs' algorithm for
'relax' calculation, the constraints are not implemented in the code. It
seems that contraints can only be imposed in the molecule dynamics using
Verlet algorithm. Is that true? Any one can share his or her experience in
imposing contraints in the ionic dynamics?
      Thank you very much.

Hanghui
Department of Physics
Yale University
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://www.democritos.it/pipermail/pw_forum/attachments/20071113/0066f5a4/attachment.htm