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Question about GGA+U Date: 2009/04/05 12:53 Name: rocdawn   <rocdawn@gmail.com> Right now I've used OpenMx for several weeks, and I know that OpenMx is able to calculate in LDA+U method. But what if I want to apply the GGA+U method? I tried to add in the input file the lines as the manual suggested in LDA+U, but error occured, showing : Invalid flag for LDA+U (Atoms.SpeciesAndCoordinates) Then what should I do to apply GGA+U, or if it is the case that the current version of OpenMx is not capable of running GGA+U? Thanks in advance...

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Re: Question about GGA+U ( No.1 ) Date: 2009/05/02 16:08 Name: JH Parq The error has nothing to do with GGA + U. Check your input file. Re: Question about GGA+U ( No.2 ) Date: 2011/08/23 15:10 Name: wsajad  <wsajad44@gmail.com> IS IT POSSIBLE TO GENERATE PSEUDOPOTENTIALS BY LAD AND APPLY FOR THE CALCULATIONS USING SCF EIGENVALUE SOLVER AS GGA?

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