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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