Hello! Can QE help to know something about core electrons after relaxation? I read that when using PAW pseudopotentials it's possible to extract all-electronic (core and valence both?) charge density, but it is not clear for me how it works. Does core density changes to fit "solution" after system converged? Is it possible to know core wfcs, core energies?
Sincerely, Eugenia W. NRNU Moscow.
_______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
