Dear Quantum Espresso Users I have the same question as the previous uestion email
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? I will appreciate you if someone explains these questions. Best Regard, Pourya Tohoku University, Japan On 06/01/2015 05:19 AM, Meysam Pazoki wrote: > 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 _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
