[Pw_forum] vc-relax

[Lorenzo Paulatto]

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.

cheers

-- 
Lorenzo Paulatto
SISSA  &  DEMOCRITOS (Trieste)
phone: +39 040 3787 511
skype: paulatz
www:   http://people.sissa.it/~paulatto/



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