Yes, but after having modified case.inst you have to run this: x lstart x dstart x dstart -up x dstart -dn to generate case.clm/sum/up/dn with AFM structure.
On Thu, 22 Sep 2011, Ghosh SUDDHASATTWA wrote: > > > Dear Wien2k users, > > I have a small querie on the use of GGA+U on a system wherein I have changed > the spins of two same atoms in case.inst file (that is it in AFM > arrangement). Can we carry out the following > > runsp_lapw -orb -so -i 200 -p in such a case. > > > > Regards > > Suddhasattwa > > > >
