[Pw_forum] Is variable-cell metadynamics implemented in PWSCF or Plumed?

[Kiss, Ioan]

Dear PWSCF community,

I have a simple question whether the variable-cell metadynamics
is implemented in the PWSCF code. I have head a look on the manual
and on the  mailing list, and all what I found was that now metadynamics
is handled by the external routines of the Plumed package.

It would be helpful if you could point me towards a manual or any kind
of description regarding how one can perform variable cell metadynamics
simulations either with stand-alone PWSCF or with PWSCF combined with
Plumed or some similar open-source metaMD driver.
By looking at the manual of Plumed I am afraid that such thing is not possible
because there are no collective variables implemented for this purpose.

Any hints/comments are welcome.

Best regards,
Janos Kiss.

==========================================
  Dr. Janos Kiss      e-mail: kissi at uni-mainz.de
  Johannes Gutenberg-Universitaet
  Institut f. Anorg. u. Analyt. Chemie
  AK Prof. Dr. Claudia Felser
  Staudinger Weg 9 / Raum 01-230
  55128 Mainz/ Germany
  Phone: +49-(0)6131-39-22703
  Fax:     +49-(0)6131-39-26267
  Web:     http://www.superconductivity.de/
 =========================================