[Pw_forum] Geometry Optimization

Lorenzo Paulatto paulatto at sissa.it
Thu Aug 6 12:24:48 CEST 2009


In data 06 agosto 2009 alle ore 12:22:50, xirainbow  
<nkxirainbow at gmail.com> ha scritto:
> I think vc-relax tries to minimize stress, energy and force at the same
> time.
> And there is a parameter "*forc_conv_thr*".
> Am I wrong?

You are right, there are also etot_conv_thr and press_conv_thr, although  
the latter is not in the same namelist as the others.

cheers

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

     *** save italian brains ***
  http://saveitalianbrains.wordpress.com/


More information about the Pw_forum mailing list