[QE-users] Hubbard parameter for gamma point calculations

[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 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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