[Wien] Electron density energy cut off

[Peter Blaha]

> is it possible to select  not only a lower bound but also an upper bound of 
> the energy in case.in2 for electron density calculation?

Yes.
Type    help_lapw
it should open the pdf-UG.
goto the lapw2 section (where else ?)
Read the description of case.in2.
(efmod  ALL  is what you need.)

                                      P.Blaha
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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/
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