> 2 0.547 0.000 CONT 1 > 2 1.2002 0.001 CONT 1 > > With such lines in case.in1 you MUST get ghostbands. But not with 2 0.547 0.000 CONT 1 2 1.2002 0.000 CONT 1 , right? (this helps a lot in order to get a smooth energy-vs-volume curve for bcc-Fe, which is rather shaky otherwise) Stefaan