Hi, I want to do hybrid calculations (HSE06) by changing the cell size manually. I have done PBE calculations first and then changed the cell size (in the case of a cubic structure, only one parameter) by 0.001 bohr increments around the optimized value found by PBE.
Considering that vc-relax is not implemented for hybrid functionals, is this a reasonable approach? Best regards; Mona Asadi Namin Graduate student Center for simulational physics University of Georgia -------------------------------------- Email:[email protected]<mailto:[email protected]>u<mailto:[email protected]>
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