case. ineece is only for hybrid functionals. For GGA+U you need case.indm and case.inorb. On Sun, 8 Jul 2012, ali ghafari wrote: > Dear Prof. Blaha and users > > > Is it necessary to use 'case. ineece' in all functionals in the GGA+U method, or it should be used only for Hybrid functional in the GGA+U method? > Best Regards > Ali