[Pw_forum] 'Relax' variable

Masoud Nahali masoudnahali at live.com
Wed Mar 10 13:03:05 CET 2010


Dear QE users

Is there any variable alongside the 'relax' for these usages ?! :  

                            1. fixing or changing the cell symmetry through the calculation.
                            2. fixing or optimizing the cell size through the calculation.
                            3. optimizing all positions without considering any restrictions.

Many Thanks
Masoud Nahali
Sharif University of Technology
 		 	   		  
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