[Wien] Fwd: Regarding DFT+U Results

[Peter Blaha]

Nobody can help you with this information.

You have to tell us exactly what you have done. List explicitly the 
commands you have used to get the DOS.


Am 25.02.2016 um 06:30 schrieb Paresh Chandra Rout:
> Dear all,
> I am facing a problem in GGA+U calculation as I am using it for the
> first time in w2k . The GGA+U DOS results are seems strange . The
> results are quite different from the PWSCF DOS while the GGA results are
> very similar in both PWSCF and W2K calculation. I am not  sure whether
> I have done it correctly or not. Any help would be highly appreciated .
> Here I am attaching the following files
> case.inorb, case.indm,case.outputorbup,case.outputorbdn.
>
>
>
>
> Kind Regards
> Paresh Chandra Rout
> Research Scholar
> Indian Institute of Science Education and Research, Bhopal
>
>
>
>
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