[Wien] problem with DOS calculations
Stefaan Cottenier
Stefaan.Cottenier at UGent.be
Thu Feb 25 17:28:24 CET 2010
> Addendum: you can take the intermediate output, put them into a
> spreadsheet such as Excel and plot the dos yourself with some
> broadening -- it works but is not so convenient.
Two comments on this:
1) you can specify a broadening in case.int (see Sec. 8.1.3 of the UG)
2) there is a very robust integration of the DOS plotted in
case.outputt. Even if the energy step is too large to see a spike, it
will appear clearly as a sudden jump of the integrated value.
Stefaan
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