[Pw_forum] optB86b-vdW

Matthieu Fortin-Deschênes matthieu.fortin-deschenes at polymtl.ca
Sun Jul 10 18:51:44 CEST 2016


Hi all,

I want to make calculations using optB86b-vdW functional. If I  
understand correctly, I just need to specify 'vdw-DF' in input_DFT and  
use a pseudopotentials generated with the optB86b functional?

If so, is there an available database for optB86b pseudopotentials? I  
wasn't able to find one.
Otherwise, could you suggest me any good references explaining the  
basics of pseudopotentials and pseudopotential generation?

Thank you very much


Matthieu Fortin-Deschênes
Polytechnique Montréal





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