[QE-users] (no subject)

[Suman sarkar]

Dear QE Users and developers,
I am trying to do Hubbard U correction for Gd atom according to an article
https://doi.org/10.1016/j.commatsci.2014.07.030  where Hubbard_U correction
is suggested for d as well as f orbitals of Gd.

The available tag for Quantum espresso is Hubbard_U(i), i=1,ntyp : Real. I
do not find any tag for specifying orbital also for U correction. Is it not
implemented in qe-6.4 yet ??
or If I do U correction for f orbital of Gd that will be sufficient and I
do not need to do correction for d orbital.
Please elaborate this correction to me.

Thank you,
Suman
IIT Madras
India
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