[Wien] Query in specify DFT+U calculation

[Lyudmila Dobysheva]

16.03.2017 11:12, Nazia Erum wrote:
> Can u please guide me how to run DFT+U
> calculation of  SnTaO3 perovskite.
>   i have done following steps but they are not working:
> Run a scf withDFT+U option and set appropriate value (0.95) of U in
> case.inorb but not sure what to change in cade.indm
> then converge charge and increase number of iterations but resulting
> bandgap is same like simple GGA.

With such information nobody can answer, we can only guess. You are to 
send input files (especially struct, inorb, indm) and part of output 
which you should separate yourself (especially dayfile, error files). 
Make a search through mailing list, perhaps you can find the reason 
yourself, and at least you'll see how to ask questions in order to 
obtain an informative answer.

Best wishes
   Lyudmila Dobysheva
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