Yes, I used it. On Wed, Nov 25, 2015 at 1:15 PM, <t...@theochem.tuwien.ac.at> wrote:
> 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 >> >> >> _______________________________________________ > Wien mailing list > Wien@zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > SEARCH the MAILING-LIST at: > http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html >
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