[Wien] Fe_cubic_229:QTL Error (Part II)

[Peter Blaha]

  2    0.547     0.000 CONT 1
  2    1.2002    0.001 CONT 1

With such lines in case.in1 you MUST get ghostbands.

-- 

                                       P.Blaha
--------------------------------------------------------------------------
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
--------------------------------------------------------------------------