[QE-users] SCf convergence for antiferromagnetic insulator

[Diship Srivastava]

Hi,
I had previously used procedure used in
https://gitlab.com/QEF/q-e/-/tree/3ec392ecee8a83958789d31be5737adac07974ba/HP/examples/example02
to calculate hubbard parameter for my antiferromagnetic insulator
system which matches with previously reported values. For scf
calculation of my system failed to converge. I tried usual methods
like changing mixing beta values etc but it also failed.
My questions is this : Can I use first two steps of above mentioned
example with previously calculated hubbard parameter values inserted
to calculate scf energy. Will it affect the results.
I am attaching input files for both steps. Any other suggestions will
also be most helpful.



-- 
Diship Srivastava
JRF
Department of Chemistry
IIT(ISM) - Dhanbad
India
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