I am able to do simple dft calculations using quantum espresso, but am getting a mismatch in band-gaps between calculated and experimental findings. Still searching the way to get the hubbard potential value to overcome the discrepancy in band-gaps.
Bharat Kumar
You can read this thesis.
http://ethesis.nitrkl.ac.in/4891/1/411PH2099.pdf
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Subrahmanyam Sappati
You have to switch on Hubbard U parameteres in "&SYSTEM "
lda_plus_U = .true.
Hubbard_U(n1) = a1, (in eV)
Hubbard_U(n2) = a2, (in eV)
.
.
Where n1, n2 are labels of atoms according to the pseudopotential order. a1, a2 are corresponding Hubbard U values. I hope QE Doc file gave proper enough info. about this.
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