[Wien] Default options in Geometry Optimizer

Ghosh SUDDHASATTWA ssghosh at igcar.gov.in
Mon Jan 11 09:20:59 CET 2010


Dear Prof. Blaha and Wiens2k users, 

I had a few clarifications on the geometry optimizer ( I did not get it in
the UG)

1. There is an option in the window of geometry optimizer. That is the
"Maximum number of structure changes". If we do not enter any number, what
is the default value the optimizer takes. I did not enter any number, still
the optimizer seems to be running. 

 

 

Thanks and with regards 

Suddhasattwa Ghosh 

 

 

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20100111/18ba830d/attachment.htm>


More information about the Wien mailing list