<html><head><style type="text/css"><!-- DIV {margin:0px;} --></style></head><body><div style="font-family:times new roman,new york,times,serif;font-size:12pt"><br><div> Dear All<br>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?<br>thanks a lot<br></div>Ali Kazempour<br><br><br><br><div><br>Fritz-Haber-Institut fax : ++49-30-8413 4701<br>der Max-Planck-Gesellschaft<br>Faradayweg 4-6 e-mail: kazempou@fhi-berlin.mpg.de<br>D-14 195 Berlin-Dahlem / German<div><br></div></div>
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