Hi, I am doing a scf job on goethite slab at gamma point. I am facing problem in finding hubbard parameter for gamma point using hp.x. When I run hp.x with nq1=nq2=nq3=0 , it gives an error saying these should be greater than 0. Do I calculate self consistent hubbard parameter at a different k point and use the same in my slab calculation or is there any other method to do this. Also is there a resource on variation of hubbard parameter with K points. Full hp.x input file : &INPUTHP prefix = 'hubbard_par', outdir = 'outdir/', nq1 = 0, nq2 = 0, nq3 = 0, conv_thr_chi = 1.0d-8, iverbosity = 2 /
-- Diship Srivastava JRF Department of Chemistry IIT(ISM) - Dhanbad India
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