[Wien] problem encountered while calculating DOS- attention: Antoine

[Peter Blaha]

>  After assigning label, I could run and get nothing in Dos. Though I have
> non-zero numbers in the qtl files, but I get zero in dos1ev file. Could let me
> know what is wrong in it.

> >  -7.50 0.002 2.500 0.003   EMIN, DE, EMAX, Gauss-broadening(>;de)

Maybe because there is no DOS at -7.5 Ry ?

Reduce emin to a reasonable value!

                                      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/
--------------------------------------------------------------------------