Ab initio MD

Axel akoh... at gmail.com
Sun Mar 8 23:19:13 UTC 2009

On Mar 8, 2:31 pm, Abu Naser <nase... at googlemail.com> wrote:
> Hi All,
> I have been playing around cp2k and running ab initio md. I have having
> problem with scf convergence failour. It converges ok upto 800 steps with an
> MD step size 0.1. Is there anyway I can stop that from happening?

hi ali,

my ESP tells me, that you made a typo in line 225 of your input file.


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