[Pw_forum] vc-relax

Lorenzo Paulatto paulatto at sissa.it
Thu Aug 28 09:51:50 CEST 2008

On Gio, Agosto 28, 2008 03:52, alan chen wrote:
> always does 50 iterations and stops.

Dear Hanghui Chen,
if I remember correctly 50 is the default maximum number of iterations, so
it stops because it reaches the limit.

>  Usually the z-strain is smallest after some iterations (for
>  example 30 iterations) then it goes up.

I've never really used damp dynamics, from some simple runs I've got the
feeling that it may be a bit tricky to set the damping parameters
correctly; you could provide us some further details, so some expert can
check them.

>     Thank you very much.


Lorenzo Paulatto
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skype: paulatz
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