[Wien] Force calculations: problem solved

[Peter Blaha]

I did not recheck the Novak paper, but:   use  the   qtl program !

César de la Fuente schrieb:
> Dear Prof. Blaha,
> 
> Can wien2k separate de DOS projected bands from the 4f states? . I m trying
> to reproduce the calculation in PrO2 from the PSS paper of Novak et al.
> (2007) but I m afraid that this is not possible in the actually version of
> wien2k...
> 
> Sincerely
> Cesar de la Fuente
> 
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien