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 _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
