Dear all,
I have done a calculation with LDA. Now I want to use the converged electron density as an initial electron density for a GGA calculation. Of course, I have to use restoreSelfConsistentCalculation("twoprobe-scf.nc") to restore the initial density.
My question is: when I do the GGA calculation, will the lead part be calculated with GGA again or just use the LDA result? I mean, will the lead part be recalculated?
Thanks.