[Wien] Does it need to use -orb option in charactization for LSDA+EECE calculations?

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 c

[Wien] Does it need to use -orb option in charactization for LSDA+EECE calculations?

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 -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theoch