[Pw_forum] roblem with bfgs algorithm optimizer for spin polarized system
paulatto at sissa.it
Fri Mar 13 15:09:42 CET 2009
On Fri, 13 Mar 2009 15:07:22 +0100, <pc229 at kent.ac.uk> wrote:
> Thanks for the reply,
> buT I am still thinking that should be a bug in the optimizer, since I
> also tried to run my system like a metal and nothing gonna change.
If I were you, I would try without the "cell_dofree" option, which has not been maintained in awhile, to the point I'm not sure it is working as it should, especially for BFGS.
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