Re: [QE-users] Hubbard parameter for gamma point calculations

2020-12-21 Thread Lorenzo Paulatto
How many points are in a 0x0x0 grid? And how many in a 1x1x1 grid? Cheers -- Lorenzo Paulatto On Mon, 21 Dec 2020, 12:51 Diship Srivastava, wrote: > 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

[QE-users] Hubbard parameter for gamma point calculations

2020-12-21 Thread Diship Srivastava
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