[Pw_forum] Order of optimization parameters

mohammadreza hosseini mhr.hosseini at Modares.ac.ir
Fri Sep 2 19:57:01 CEST 2016


Dear all

I am starting calculations about a novel structure. What is the order and 
priority of parameter optimization? (kpoin, ecut , lattice parameters or 
....) Should these parameters optimize by scf or relax ?

Best
mohammadreza
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