LOPTICS vs LEPSILON
Posted: Tue Apr 30, 2013 12:47 am
Dear All,
can anyone tell me how to set ICHARG in LOPTICS and LEPSILON calculations?
Is it for LOPTICS=True, ICHARG=11 (non self consistent on top of the previously self consistent) and for LEPSILON=True ICHARG=0?
Can anyone confirm me this?
Best.
Giacomo
can anyone tell me how to set ICHARG in LOPTICS and LEPSILON calculations?
Is it for LOPTICS=True, ICHARG=11 (non self consistent on top of the previously self consistent) and for LEPSILON=True ICHARG=0?
Can anyone confirm me this?
Best.
Giacomo