After the SCF cycles, you have to do: x lapw2 -efg (plus other options if necessary -sp -c ...) to obtain the EFG values of all the atoms.
See the userguide for more details (Lapw2 section). Regards Xavier Le 26/05/2011 23:54, vandao at urisan.tche.br a ?crit : > Dear Users > I'm in doubt with EFG, I have three different atoms in the calculations. > But I only get the EFG of an atom. Even when I use the option or EFG001 > EFG002 or EFG003. The result is 3irfe_vol__10.0.scf: EFG002: 3.86341 * 10 > ** 21 V / m ** 2 > > > Can someone help me. > > > > > > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien >