[Wien] orbital pot (DFT+U)

[tran at theochem.tuwien.ac.at]

Did you use run calculation with the -orb flag: runsp_lapw -orb

On Wed, 25 Nov 2015, Jihoon Park wrote:

> Dear users,
> 
> I have tried to add GGA+U with different U values, but always get the same total energies.
> The steps that I did are as follows:
> 1. Do spin-polarized calculation.
> 2. setup spin-orbit coupling and orbital pot (DFT+U) together.
> 3. Run
> 
> This procedure is very simple and straightforward, but I don't know why there is no difference for different U values.
> Would you please let me know what mistakes I have been making?
> 
> 
> All my best,
> Jihoon Park
> 
>