[Wien] automatic summing of DOS in RENDOS?
Peter Blaha
peter.blaha at tuwien.ac.at
Thu May 7 21:12:52 CEST 2026
Sorry, these "sum-DOSes" are not implemented with the renormalized DOS.
You have to do it by hand.
Peter Blaha
Am 07.05.2026 um 16:26 schrieb Straus, Daniel B:
> Hi,
>
> Is there a flag I can use when running rendos that will account for the
> sums I specify at the end of the case.int file and redo the sum with
> renormalized DOS? When I run dosplot2 -ren when I want to plot a sum of
> partial DOS, I get the error “ERROR: case.dosrnsumev not found!” If not,
> I can do it by hand.
>
> Daniel Straus
>
> Assistant Professor
>
> Department of Chemistry
>
> Tulane University
>
> 5088 Percival Stern Hall
>
> 6400 Freret Street
>
> New Orleans, LA 70118
>
> (504) 862-3585
>
> http://straus.tulane.edu/ <http://straus.tulane.edu/>
>
>
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Peter Blaha, Inst. f. Materials Chemistry, TU Vienna, A-1060 Vienna
Email: peter.blaha at tuwien.ac.at
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