[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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