[Pw_forum] cg (Paolo Umari)
umari at democritos.it
umari at democritos.it
Sat Jul 26 12:53:55 CEST 2008
Dear Mansoureh
this messages reports the fact that during a single cg minimizationstep,
the lowest energy which is found is that which corresponds to the
trial step. If this happens close to convergence it can be ignored.
Regards,
Paolo Umari
>
> Dear all
> I am running molecular dynamics with cg in electron dynamics.What does
> ''cg_sub:missed minimum,case 1,iteration mean?
> Is that an error or I can ignore it?
> thank you in advance
> Mansoureh
----------------------------------------------------------------
This message was sent using IMP, the Internet Messaging Program.
More information about the Pw_forum
mailing list