[Wien] The explanation of file case.outputt

[Peter Blaha]

> In the calculation of DOS, WIEN will gives a file case.outputt:
>
>  DOS in states/Ry
> # ENERGY      0 total
>  smearing           2  0.1994711       8.000000
>  -1.50000     0.00   0.0000
>  -1.49800     0.00   0.0000
>
> The first column is the energy in Ry, the second one should be the DOS in
> states/Ry, right? and the third one?

The third is the integrated DOS (number of electrons) up to E.

                                      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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