[Pw_forum] Relaxation doesn't converge

[Lorenzo Paulatto]

In data 02 settembre 2009 alle ore 14:25:43, xirainbow  
<nkxirainbow at gmail.com> ha scritto:
> You choose bfgs parameter to do cell_dofree.
> However, cell_dofree is not applied to  "bfgs"
> You can find the following content easily in pwscf_forum

He is actually using damped Parrinello-Rahman dynamics for the cell, hence  
there is no problem with cell_dofree.

regards

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