Dear Espresso Users, I have a question regarding the definition of bare ionic potential, In the PP.x when we calculate the bare potential, is it just the contribution of columbic potential of positively charged ion centers ? or core electrons that are included in the psudopotential also have contribution to it? What is exact definition of bare potential then?
Thanks a lot in advance My Best Regards Meysam _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
