[Pw_forum] pbe0-lattice parameter

ali kazempour kazempoor2000 at yahoo.com
Sat Jan 9 10:59:11 CET 2010



 Dear All
I want to switch from PBE calculation  to PBE0 functional . I don't know in addition to optimization of NQs , should I reoptimaize all of the parameter like number of kpoints, and ecut and the lattice parameter or  the perviuos values is enough?
thanks a lot
Ali Kazempour





Fritz-Haber-Institut              fax   : ++49-30-8413 4701
der Max-Planck-Gesellschaft
Faradayweg 4-6                    e-mail: kazempou at fhi-berlin.mpg.de
D-14 195 Berlin-Dahlem / German



      
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