[Wien] Minimization

[NAJMEH SOLTANI]

Dear Laurence Marks,
  Thanks for your answer
  first I should say that I calculate Optical and electrical properties, so according what I read these properties are not related to forces, so I should not continue to minimize.Am I right?
  Second I read in the mailing list which says" port in case.inM converges the energy so, the fluctuation of forces is not important."
  If it is correct  and port works with energy why do we perform the scf sycle with force convergance and minimize with force  and check the forces in case.scf according to TiO2 in UG?
  Regards,
  Najmeh Soltani

 __________________________________________________
Do You Yahoo!?
Tired of spam?  Yahoo! Mail has the best spam protection around 
http://mail.yahoo.com 
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20061226/1527d03d/attachment.html