I guess it means you ran: runsp -eece When calculating the bandstructures, you need to supply -orb for lapw1; i.e. x lapw1 -up/dn -orb -band to use case.vorb (generated in the scf cycle)
Hamid Abbaszadeh Peivasti schrieb: > Dear WIEN2k users; > > I uesd LDA by EECE for calculating a case. Does it need to use -orb > option in finding electronic band structures for LSDA+EECE calculations > and in SCF cycles? > > -- > H. Abbaszadeh > > > > ------------------------------------------------------------------------ > > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
